A0A096NJY8_PAPAN Loading...

Protein SCAI

Tumor suppressor which functions to suppress MRTFA-induced SRF transcriptional activity.

AlphaFold DB (A0A1D5Q8V0), UniProt , Accession A0A096NJY8, Species PAPAN (Papio anubis, Olive baboon), Gene SCAI, Length 629 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	28.5	Very low	243 Å²	243	167.3 Å²	167.3	100%	1.197	87%	0.87	S	S	*	*				0	112.8	0	-90.2	170.9	163.3	0	0	109.1
2	V	27.4	Very low	28.3	Very low	127 Å²	127	173.9 Å²	173.9	77%	0.77	88%	0.875	S	S	*	*			trans	37.2	116.1	143.4	-175.3	0	0	0	0	120.2
3	R	26.1	Very low	28.1	Very low	242 Å²	242	169.8 Å²	169.8	91%	0.913	87%	0.873	S	S	*	*			trans	42.7	144.3	131.6	-56.6	176.3	173.8	179	-3.6	119.3
4	G	28.1	Very low	28	Very low	71 Å²	71	175.7 Å²	175.7	73%	0.732	88%	0.879	S	S	*	*			cis	167.5	164.3	7.7	0	0	0	0	0	112.3
5	A	28	Very low	27.8	Very low	101 Å²	101	175.7 Å²	175.7	84%	0.835	88%	0.882	S	S	*	*			trans	39.4	121.4	149	0	0	0	0	0	122.2
6	R	26.8	Very low	27.5	Very low	252 Å²	252	170.4 Å²	170.4	95%	0.951	87%	0.874	S	S	*	*				-169	127.2	110.7	-99	174.3	-172.3	-164	2.7	111.5
7	Q	24.5	Very low	27.6	Very low	184 Å²	184	168.1 Å²	168.1	86%	0.86	87%	0.872	S	S	*	*			trans	-88.9	-179	165.9	-100.5	-174.5	3.2	0	0	109.7
8	P	39.2	Very low	27.3	Very low	101 Å²	101	172.1 Å²	172.1	66%	0.656	87%	0.874	S	S	*	*			cis	-137.5	173.5	-31.6	34.1	-16.2	0	0	0	112.3
9	Q	24.1	Very low	27.1	Very low	199 Å²	199	172.2 Å²	172.2	93%	0.93	88%	0.876	S	S	*	*			trans	-173.4	138.9	142.3	-104.4	168.9	40.7	0	0	112.4
10	Q	29.6	Very low	27	Very low	191 Å²	191	170.5 Å²	170.5	89%	0.893	87%	0.874	S	S	*	*			trans	-61.8	154.4	-178.3	-66.5	172.6	-20	0	0	114
11	P	27.2	Very low	26.8	Very low	129 Å²	129	166 Å²	166	84%	0.838	87%	0.87	S	S	*	*			trans	-104.9	129.9	161.7	29.6	-16.3	0	0	0	113.3
12	R	26.1	Very low	26.3	Very low	247 Å²	247	161.2 Å²	161.2	93%	0.932	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-67.2	137.9	166.6	-75.3	173.7	166	173.9	-4.9	111.3
13	S	26.8	Very low	26.2	Very low	121 Å²	121	162.1 Å²	162.1	85%	0.846	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-74.8	135.9	172.3	51.5	0	0	0	0	112.4
14	R	26.2	Very low	26.1	Very low	252 Å²	252	159.7 Å²	159.7	95%	0.951	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-78.6	142.6	178.5	-72.9	178.2	175.5	-176.3	-1.9	112.4
15	L	24.7	Very low	26	Very low	176 Å²	176	165.8 Å²	165.8	92%	0.921	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-86.7	148.2	169.2	-89	150.2	0	0	0	111.9
16	A	23.1	Very low	25.8	Very low	91 Å²	91	166.7 Å²	166.7	75%	0.752	86%	0.863	S	S	*	*			trans	-162.2	169.9	150.3	0	0	0	0	0	109.3
17	P	28.7	Very low	25.8	Very low	130 Å²	130	160.9 Å²	160.9	84%	0.844	86%	0.858	S	S	*	*				-122	174.7	-98.9	27.7	-6.3	0	0	0	115.9
18	R	23.2	Very low	25.9	Very low	240 Å²	240	163.9 Å²	163.9	91%	0.906	86%	0.861	S	S	*	*			trans	-63.2	143.4	-177.6	-72.7	174.8	168.8	177.9	-3.9	114.7
19	L	23.6	Very low	25.3	Very low	175 Å²	175	169.1 Å²	169.1	92%	0.916	87%	0.874	S	S	*	*			trans	-127.7	137.7	152.3	-90	162.7	0	0	0	109.9
20	T	23.8	Very low	25.3	Very low	138 Å²	138	171.4 Å²	171.4	85%	0.847	87%	0.874	S	S	*	*			trans	-91.8	140	-171.9	43.1	0	0	0	0	112.3
21	G	23.3	Very low	25.1	Very low	76 Å²	76	174.5 Å²	174.5	78%	0.784	88%	0.877	S	S	*	*			trans	-150.5	121.4	166.4	0	0	0	0	0	110.2
22	T	22.6	Very low	25	Very low	143 Å²	143	173.7 Å²	173.7	88%	0.877	88%	0.875	S	S	*	*			trans	-82.5	144.3	-173.1	40.5	0	0	0	0	113.1
23	V	25.3	Very low	25	Very low	145 Å²	145	167.6 Å²	167.6	88%	0.879	87%	0.87	S	S	*	*			trans	-131.5	129	162.4	-179.9	0	0	0	0	109.5
24	E	23.6	Very low	25	Very low	192 Å²	192	169.7 Å²	169.7	90%	0.897	87%	0.87	S	S	*	*			trans	-66.2	152.9	-177.8	-70.4	178.7	129.1	0	0	114.2
25	K	25.3	Very low	24.9	Very low	198 Å²	198	169.4 Å²	169.4	86%	0.861	87%	0.869	S	S	*	*			trans	-110.1	144.8	170.1	-77.9	-179.1	176.9	175	0	110.3
26	P	24.9	Very low	25.1	Very low	121 Å²	121	164.5 Å²	164.5	79%	0.786	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-83.5	160.4	167.2	33.9	-31	0	0	0	112
27	P	25.9	Very low	25.1	Very low	130 Å²	130	166.3 Å²	166.3	84%	0.844	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-93	149.7	-158.9	35.5	-33.6	0	0	0	114.6
28	R	26.3	Very low	25	Very low	247 Å²	247	163.6 Å²	163.6	93%	0.932	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-75.2	140.1	167.6	-78.8	175.4	165.8	174.2	-4.3	111.1
29	K	26.8	Very low	25.6	Very low	211 Å²	211	160.1 Å²	160.1	92%	0.917	86%	0.863	S	S	*	*			trans	-120.2	116.4	156.1	-87.6	-174	177.8	177.7	0	111.9
30	R	25.5	Very low	25.8	Very low	246 Å²	246	156.3 Å²	156.3	93%	0.928	85%	0.851	S	S	*	*			trans	32	121	149.8	-68.5	-178	173.9	-176.3	-2.7	121.1
31	R	25	Very low	25.9	Very low	256 Å²	256	154.4 Å²	154.4	97%	0.966	84%	0.843	S	S	*	*			trans	-74.2	134.3	153.8	-83	178.3	167.6	178.6	-4.8	110.1
32	S	24.5	Very low	26.4	Very low	113 Å²	113	158.4 Å²	158.4	79%	0.79	84%	0.841	S	S	*	*			trans	-119.5	130.6	156.6	52.6	0	0	0	0	108.9
33	S	26.7	Very low	26.7	Very low	118 Å²	118	155.7 Å²	155.7	83%	0.825	83%	0.828	S	S	*	*			trans	-77.7	133	175	54.4	0	0	0	0	111.5
34	I	26.3	Very low	26.9	Very low	166 Å²	166	155.3 Å²	155.3	85%	0.851	82%	0.817	S	S	*	*			trans	-139.6	131.9	156.3	-61.9	-175.7	0	0	0	109
35	R	24.6	Very low	27.4	Very low	245 Å²	245	149.2 Å²	149.2	93%	0.925	80%	0.796	S	S	*	*			trans	-65.4	160.4	176	-81.1	173.4	166.1	-176.5	-5	111.9
36	G	27.9	Very low	27.8	Very low	73 Å²	73	146.4 Å²	146.4	75%	0.753	79%	0.785	S	S	*	*			trans	-63.3	160.8	-169.6	0	0	0	0	0	117.7
37	S	24.3	Very low	28	Very low	129 Å²	129	142.2 Å²	142.2	90%	0.902	76%	0.764	S	S	*	*			trans	-162.5	134.5	156.6	-67.5	0	0	0	0	106.5
38	G	26.2	Very low	28.2	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	75%	0.753	S	S	*	*			trans	-82.2	174	-163.5	0	0	0	0	0	117.3
39	D	35.6	Very low	28.7	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	75%	0.746	S	S	*	*			trans	21.3	115.6	157.7	-73.9	-29.8	0	0	0	119.8
40	S	27.4	Very low	29	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	73%	0.727	S	S	*	*			trans	177.2	-0.3	147.9	38.8	0	0	0	0	116.2	S43	S40-S43 PolarHBondContact O-OG 2.92Å
41	S	26.7	Very low	29.3	Very low	97 Å²	97	131 Å²	131	68%	0.678	71%	0.711	S	S	*	*	S	Bend	trans	-94.8	-4.3	-170.9	55.8	0	0	0	0	116.8
42	H	32.3	Very low	29.7	Very low	160 Å²	160	124.3 Å²	124.3	74%	0.741	69%	0.691	S	S	*	*	H	α-helix	trans	-89.2	-17.3	178.7	-108.1	33.3	0	0	0	114.6
43	S	30.3	Very low	30.4	Very low	86 Å²	86	122.1 Å²	122.1	60%	0.601	67%	0.667	S	S	*	*	H	α-helix	trans	-82.7	-32	177.9	50.6	0	0	0	0	113.3	S40 G47	S40-S43 PolarHBondContact O-OG 2.92Å; S43-G47 PolarHBondContact O-N 3.39Å
44	Q	28.7	Very low	31	Very low	138 Å²	138	119.5 Å²	119.5	65%	0.645	65%	0.646	S	S	*	*	H	α-helix	trans	-69.6	-39.2	-179.1	-79.7	177.3	-22.2	0	0	113.1	Q46 G47 E48	Q44-Q46 VanDerWaalsContact C-N 3.35Å; Q44-Q46 PolarHBondContact O-N 3.06Å; Q44-G47 PolarHBondContact O-N 3.25Å; Q44-E48 WeakPolarHBondContact O-CG 3.43Å; Q44-E48 PolarHBondContact O-N 3.11Å
45	S	33.7	Very low	31.5	Very low	64 Å²	64	117.4 Å²	117.4	45%	0.448	63%	0.633	S	S	.	*	H	α-helix	trans	-70.8	-24.8	-179.7	74.7	0	0	0	0	114.7	R49	S45-R49 PolarHBondContact O-N 3.18Å
46	Q	34.3	Very low	32.3	Very low	138 Å²	138	112.7 Å²	112.7	65%	0.645	62%	0.619	S	S	*	*	H	α-helix	trans	-79.4	-36.2	171.6	-76.6	-172.3	6.7	0	0	111.6	Q44 R49 Y50	Q44-Q46 VanDerWaalsContact C-N 3.35Å; Q44-Q46 PolarHBondContact O-N 3.06Å; Q46-R49 PolarHBondContact O-N 3.42Å; Q46-Y50 WeakPolarHBondContact O-CB 3.47Å; Q46-Y50 PolarHBondContact O-N 3.45Å
47	G	28.5	Very low	33.1	Very low	33 Å²	33	109.7 Å²	109.7	34%	0.34	59%	0.586	S	S	.	*	H	α-helix	trans	-64.3	-43.9	176.1	0	0	0	0	0	113	S43 Q44 Y50 Q51	S43-G47 PolarHBondContact O-N 3.39Å; Q44-G47 PolarHBondContact O-N 3.25Å; G47-Y50 WeakPolarHBondContact O-CB 3.17Å; G47-Y50 PolarHBondContact O-N 2.93Å; G47-Q51 PolarHBondContact O-N 3.31Å
48	E	30.8	Very low	33.8	Very low	130 Å²	130	108.2 Å²	108.2	61%	0.607	57%	0.565	S	S	*	*	H	α-helix	trans	-67.9	-36.4	177.2	-71.6	175.3	169.8	0	0	112.4	Q44 Y50 Q51 H52	Q44-E48 WeakPolarHBondContact O-CG 3.43Å; Q44-E48 PolarHBondContact O-N 3.11Å; E48-Y50 VanDerWaalsContact C-N 3.35Å; E48-Q51 PolarHBondContact O-N 3.41Å; E48-H52 VanDerWaalsContact O-CB 3.31Å; E48-H52 WeakPolarHBondContact O-CB 3.39Å; E48-H52 PolarHBondContact O-N 2.86Å
49	R	36.8	Very low	34.5	Very low	208 Å²	208	112 Å²	112	79%	0.785	56%	0.561	S	S	*	*	H	α-helix	trans	-66.3	-35.7	170.6	-104.1	-177.3	-164.5	177.5	6.9	112.6	S45 Q46 F53	S45-R49 PolarHBondContact O-N 3.18Å; Q46-R49 PolarHBondContact O-N 3.42Å; R49-F53 WeakPolarHBondContact O-CB 3.47Å; R49-F53 PolarHBondContact O-N 2.81Å
50	Y	32.5	Very low	34.8	Very low	132 Å²	132	106 Å²	106	52%	0.518	53%	0.534	S	S	.	.	H	α-helix	trans	-68.3	-43.8	174.9	-113	-92.7	0	0	0	111.1	Q46 G47 E48 F53 T54 Y87	Q46-Y50 WeakPolarHBondContact O-CB 3.47Å; Q46-Y50 PolarHBondContact O-N 3.45Å; G47-Y50 WeakPolarHBondContact O-CB 3.17Å; G47-Y50 PolarHBondContact O-N 2.93Å; E48-Y50 VanDerWaalsContact C-N 3.35Å; Y50-F53 PolarHBondContact O-N 2.74Å; Y50-T54 PolarHBondContact O-N 3.43Å; Y50-T54 PolarHBondContact O-OG1 2.9Å; Y50-Y87 PolarHBondContact OH-OH 3.18Å
51	Q	31.4	Very low	35.6	Very low	128 Å²	128	101.8 Å²	101.8	60%	0.598	51%	0.505	S	S	*	.	H	α-helix	trans	-65.1	-49.1	179.1	-83.6	175.6	-28	0	0	112.7	G47 E48 F53 T54 E55	G47-Q51 PolarHBondContact O-N 3.31Å; E48-Q51 PolarHBondContact O-N 3.41Å; Q51-F53 PolarHBondContact O-N 3.35Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.37Å; Q51-T54 PolarHBondContact O-N 3.09Å; Q51-T54 PolarHBondContact O-OG1 3.22Å; Q51-E55 PolarHBondContact O-N 3.34Å
52	H	34.8	Very low	36.5	Very low	116 Å²	116	103.3 Å²	103.3	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-65.8	-23.1	176.9	-161.3	-43.4	0	0	0	112.2	E48 K56	E48-H52 VanDerWaalsContact O-CB 3.31Å; E48-H52 WeakPolarHBondContact O-CB 3.39Å; E48-H52 PolarHBondContact O-N 2.86Å; H52-K56 PolarHBondContact O-N 2.59Å
53	F	38.8	Very low	37.3	Very low	68 Å²	68	103.2 Å²	103.2	30%	0.298	50%	0.499	S	S	.	.	H	α-helix	trans	-80.4	-41.7	173.6	-172.2	-84.7	0	0	0	112.2	R49 Y50 Q51 E55 K56 T57 Y87 D90	R49-F53 WeakPolarHBondContact O-CB 3.47Å; R49-F53 PolarHBondContact O-N 2.81Å; Y50-F53 PolarHBondContact O-N 2.74Å; Q51-F53 PolarHBondContact O-N 3.35Å; F53-E55 VanDerWaalsContact C-N 3.28Å; F53-E55 PolarHBondContact O-N 3.36Å; F53-K56 PolarHBondContact O-N 3.43Å; F53-T57 WeakPolarHBondContact CD1-OG1 3.42Å; F53-T57 WeakPolarHBondContact CE1-OG1 3.45Å; F53-T57 WeakPolarHBondContact O-CB 3.4Å; F53-T57 PolarHBondContact O-N 3.4Å; F53-T57 PolarHBondContact O-OG1 3.46Å; F53-Y87 AromaticContact CD1-CD2 3.99Å; F53-Y87 HydrophobicContact CD1-CD2 3.99Å; F53-Y87 AromaticContact CE1-CD2 3.42Å; F53-Y87 HydrophobicContact CE1-CD2 3.42Å; F53-Y87 VanDerWaalsContact CE1-CD2 3.42Å; F53-Y87 HydrophobicContact CE1-CE2 4.23Å; F53-Y87 HydrophobicContact CE1-CG 4.29Å; F53-Y87 AromaticContact CZ-CD2 3.99Å; F53-Y87 HydrophobicContact CZ-CD2 3.99Å; F53-D90 HydrophobicContact CZ-CB 4.29Å
54	T	38.4	Very low	38.2	Very low	62 Å²	62	102.3 Å²	102.3	38%	0.38	49%	0.487	S	S	.	.	H	α-helix	trans	-57.2	-41.8	171.6	23.2	0	0	0	0	111.4	Y50 Q51 T57 E58	Y50-T54 PolarHBondContact O-N 3.43Å; Y50-T54 PolarHBondContact O-OG1 2.9Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.37Å; Q51-T54 PolarHBondContact O-N 3.09Å; Q51-T54 PolarHBondContact O-OG1 3.22Å; T54-T57 PolarHBondContact O-N 3.04Å; T54-E58 VanDerWaalsContact O-CB 3.26Å; T54-E58 WeakPolarHBondContact O-CB 3.03Å; T54-E58 WeakPolarHBondContact O-CG 3.45Å; T54-E58 PolarHBondContact O-N 3.23Å
55	E	36.7	Very low	39.1	Very low	122 Å²	122	97.7 Å²	97.7	57%	0.57	47%	0.465	S	S	*	.	H	α-helix	trans	-64.6	-42.4	178.5	-72.6	175.9	171.1	0	0	112.9	Q51 F53 E58 F59	Q51-E55 PolarHBondContact O-N 3.34Å; F53-E55 VanDerWaalsContact C-N 3.28Å; F53-E55 PolarHBondContact O-N 3.36Å; E55-E58 PolarHBondContact O-N 3.25Å; E55-F59 WeakPolarHBondContact O-CB 3.32Å; E55-F59 PolarHBondContact O-N 3.08Å
56	K	42.1	Very low	39.6	Very low	147 Å²	147	99.1 Å²	99.1	64%	0.639	48%	0.475	S	S	*	.	H	α-helix	trans	-68.4	-37.5	175.8	-87.4	-173.9	173.2	-178.8	0	112.9	H52 F53 F59 A60	H52-K56 PolarHBondContact O-N 2.59Å; F53-K56 PolarHBondContact O-N 3.43Å; K56-F59 PolarHBondContact O-N 3.32Å; K56-A60 PolarHBondContact O-N 2.69Å; K56-A60 VanDerWaalsContact O-N 3.1Å
57	T	43.9	Very low	40	Very low	9 Å²	9	98.1 Å²	98.1	6%	0.055	48%	0.484	C	S	.	.	H	α-helix	trans	-71.1	-37.8	177.6	-42.7	0	0	0	0	110.3	F53 T54 F59 A60 L61 C86	F53-T57 WeakPolarHBondContact CD1-OG1 3.42Å; F53-T57 WeakPolarHBondContact CE1-OG1 3.45Å; F53-T57 WeakPolarHBondContact O-CB 3.4Å; F53-T57 PolarHBondContact O-N 3.4Å; F53-T57 PolarHBondContact O-OG1 3.46Å; T54-T57 PolarHBondContact O-N 3.04Å; T57-F59 VanDerWaalsContact C-N 3.35Å; T57-A60 PolarHBondContact O-N 2.74Å; T57-L61 HydrophobicContact CG2-CD1 4.14Å; T57-L61 VanDerWaalsContact O-CB 3.23Å; T57-L61 WeakPolarHBondContact O-CB 3.37Å; T57-L61 VanDerWaalsContact O-CD1 3.27Å; T57-L61 WeakPolarHBondContact O-CD1 3.12Å; T57-L61 WeakPolarHBondContact O-CG 3.42Å; T57-L61 PolarHBondContact O-N 3.14Å; T57-C86 HydrophobicContact CG2-CB 3.8Å
58	E	39.6	Very low	40.5	Very low	99 Å²	99	99.1 Å²	99.1	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-64.7	-35.5	172.5	-83	-171.8	148.1	0	0	112.7	T54 E55 L61 K62	T54-E58 VanDerWaalsContact O-CB 3.26Å; T54-E58 WeakPolarHBondContact O-CB 3.03Å; T54-E58 WeakPolarHBondContact O-CG 3.45Å; T54-E58 PolarHBondContact O-N 3.23Å; E55-E58 PolarHBondContact O-N 3.25Å; E58-L61 PolarHBondContact O-N 3Å; E58-K62 PolarHBondContact O-N 3.31Å
59	F	41	Very low	41	Very low	151 Å²	151	96.9 Å²	96.9	66%	0.662	51%	0.506	S	S	*	.	H	α-helix	trans	-68.9	-43.2	175.5	-137.9	-88.5	0	0	0	112	E55 K56 T57 K62 E63	E55-F59 WeakPolarHBondContact O-CB 3.32Å; E55-F59 PolarHBondContact O-N 3.08Å; K56-F59 PolarHBondContact O-N 3.32Å; T57-F59 VanDerWaalsContact C-N 3.35Å; F59-K62 PolarHBondContact O-N 3.28Å; F59-E63 PolarHBondContact O-N 2.88Å
60	A	41.4	Very low	41.2	Very low	42 Å²	42	91 Å²	91	35%	0.347	50%	0.501	S	S	.	.	H	α-helix	trans	-68.2	-34	173.4	0	0	0	0	0	112.4	K56 T57 E63 I64	K56-A60 PolarHBondContact O-N 2.69Å; K56-A60 VanDerWaalsContact O-N 3.1Å; T57-A60 PolarHBondContact O-N 2.74Å; A60-E63 PolarHBondContact O-N 2.8Å; A60-I64 WeakPolarHBondContact O-CB 3.23Å; A60-I64 WeakPolarHBondContact O-CD1 3.47Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 2.79Å
61	L	45.5	Very low	42.1	Very low	7 Å²	7	91.3 Å²	91.3	4%	0.037	51%	0.508	C	S	.	.	H	α-helix	trans	-63.2	-40.8	170.8	-82	157.4	0	0	0	111.2	T57 E58 I64 M65 V82 T83	T57-L61 HydrophobicContact CG2-CD1 4.14Å; T57-L61 VanDerWaalsContact O-CB 3.23Å; T57-L61 WeakPolarHBondContact O-CB 3.37Å; T57-L61 VanDerWaalsContact O-CD1 3.27Å; T57-L61 WeakPolarHBondContact O-CD1 3.12Å; T57-L61 WeakPolarHBondContact O-CG 3.42Å; T57-L61 PolarHBondContact O-N 3.14Å; E58-L61 PolarHBondContact O-N 3Å; L61-I64 PolarHBondContact O-N 3.46Å; L61-M65 HydrophobicContact CB-SD 4.22Å; L61-M65 HydrophobicContact CD2-SD 3.81Å; L61-M65 WeakPolarHBondContact O-CB 3.2Å; L61-M65 WeakPolarHBondContact O-CG 3.44Å; L61-M65 PolarHBondContact O-N 3.1Å; L61-V82 HydrophobicContact CD2-CB 4.38Å; L61-V82 HydrophobicContact CD2-CG1 3.6Å; L61-T83 HydrophobicContact CD1-CG2 4.34Å; L61-T83 WeakPolarHBondContact CD1-OG1 3.12Å
62	K	45.1	Very low	42.9	Very low	130 Å²	130	92.8 Å²	92.8	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-40.7	174.9	-86.5	-178.3	171.9	-177.9	0	112.5	E58 F59 S66	E58-K62 PolarHBondContact O-N 3.31Å; F59-K62 PolarHBondContact O-N 3.28Å; K62-S66 WeakPolarHBondContact O-CB 3.35Å; K62-S66 PolarHBondContact O-N 3.45Å; K62-S66 VanDerWaalsContact O-N 3.11Å
63	E	48.6	Very low	44.2	Very low	158 Å²	158	94.6 Å²	94.6	74%	0.738	53%	0.533	S	S	*	.	H	α-helix	trans	-67.8	-37.8	174.2	-89.2	-174.9	152.4	0	0	113.2	F59 A60	F59-E63 PolarHBondContact O-N 2.88Å; A60-E63 PolarHBondContact O-N 2.8Å
64	I	49.5	Very low	45.5	Very low	67 Å²	67	93.9 Å²	93.9	34%	0.344	53%	0.532	S	S	.	.	H	α-helix	trans	-77	-32.6	-179.7	-66.6	166.5	0	0	0	112	A60 L61 Y139	A60-I64 WeakPolarHBondContact O-CB 3.23Å; A60-I64 WeakPolarHBondContact O-CD1 3.47Å; A60-I64 WeakPolarHBondContact O-CG1 3.5Å; A60-I64 PolarHBondContact O-N 2.79Å; L61-I64 PolarHBondContact O-N 3.46Å; I64-Y139 HydrophobicContact CD1-CE2 4.25Å; I64-Y139 HydrophobicContact CG2-CD2 4.46Å
65	M	47.5	Very low	47.6	Very low	40 Å²	40	94.1 Å²	94.1	20%	0.197	54%	0.535	C	S	.	.	H	α-helix	trans	-90.3	-11.5	-177.2	-63.9	176.3	64.3	0	0	113.3	L61 S67 I74	L61-M65 HydrophobicContact CB-SD 4.22Å; L61-M65 HydrophobicContact CD2-SD 3.81Å; L61-M65 WeakPolarHBondContact O-CB 3.2Å; L61-M65 WeakPolarHBondContact O-CG 3.44Å; L61-M65 PolarHBondContact O-N 3.1Å; M65-S67 PolarHBondContact O-N 3.43Å; M65-I74 HydrophobicContact CE-CD1 3.23Å
66	S	44.3	Very low	49.8	Very low	94 Å²	94	96.7 Å²	96.7	66%	0.657	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.8	179.7	179.3	0	0	0	0	114.9	K62	K62-S66 WeakPolarHBondContact O-CB 3.35Å; K62-S66 PolarHBondContact O-N 3.45Å; K62-S66 VanDerWaalsContact O-N 3.11Å
67	S	42.3	Very low	51.9	Low	118 Å²	118	92.1 Å²	92.1	83%	0.825	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	6.1	-178.2	62.7	0	0	0	0	115	M65	M65-S67 PolarHBondContact O-N 3.43Å
68	G	38.9	Very low	54.1	Low	54 Å²	54	94 Å²	94	56%	0.557	55%	0.549	S	S	*	.	S	Bend	trans	-138.8	126	176.6	0	0	0	0	0	110.6
69	G	41.2	Very low	56.6	Low	82 Å²	82	94.9 Å²	94.9	85%	0.845	55%	0.548	S	S	*	.	S	Bend	trans	-57	157.3	-170.4	0	0	0	0	0	116.3
70	A	42.6	Very low	59.1	Low	84 Å²	84	94.1 Å²	94.1	69%	0.694	55%	0.545	S	S	*	.			trans	62.5	91.5	176.1	0	0	0	0	0	115.5	D72	A70-D72 PolarHBondContact O-N 2.98Å; A70-D72 VanDerWaalsContact O-N 3.14Å
71	E	50.5	Low	61.6	Low	139 Å²	139	93 Å²	93	65%	0.65	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-10.9	176	-79.1	-170.4	133.1	0	0	114.7
72	D	49.1	Very low	64	Low	160 Å²	160	92.9 Å²	92.9	86%	0.856	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	3.4	-163.4	-88	-24.1	0	0	0	117	A70	A70-D72 PolarHBondContact O-N 2.98Å; A70-D72 VanDerWaalsContact O-N 3.14Å
73	D	61.8	Low	66.3	Low	153 Å²	153	88.5 Å²	88.5	82%	0.818	52%	0.517	S	S	*	.			trans	-133.7	25.1	-173.5	-121.6	-4.5	0	0	0	115.4	P75	D73-P75 WeakPolarHBondContact O-CD 3.26Å
74	I	65.5	Low	68.7	Low	54 Å²	54	84.1 Å²	84.1	28%	0.277	50%	0.499	S	S	.	.			trans	-86.3	120.6	177.9	-56.8	174.2	0	0	0	109.9	M65 Q76 E78 R79	M65-I74 HydrophobicContact CE-CD1 3.23Å; I74-Q76 PolarHBondContact O-N 2.79Å; I74-E78 HydrophobicContact CG2-CB 4.27Å; I74-R79 HydrophobicContact CG2-CB 4.31Å
75	P	82.2	Confident	71	Confident	66 Å²	66	81 Å²	81	43%	0.429	48%	0.483	S	S	.	.			trans	-54.4	129.7	176.9	-25.3	33.8	0	0	0	111.4	D73 G77 E78 R79	D73-P75 WeakPolarHBondContact O-CD 3.26Å; P75-G77 PolarHBondContact O-N 3.48Å; P75-E78 HydrophobicContact CB-CG 4.25Å; P75-E78 HydrophobicContact CG-CG 4.43Å; P75-E78 WeakPolarHBondContact O-CB 3.2Å; P75-E78 PolarHBondContact O-N 3.44Å; P75-R79 PolarHBondContact O-N 3.41Å; P75-R79 VanDerWaalsContact O-N 3.17Å
76	Q	83.3	Confident	73.3	Confident	177 Å²	177	79.6 Å²	79.6	83%	0.827	48%	0.477	S	S	*	.	H	α-helix	trans	-53.2	-32	-176.2	-167.7	179.2	15.4	0	0	113	I74 K80	I74-Q76 PolarHBondContact O-N 2.79Å; Q76-K80 WeakPolarHBondContact O-CB 3.4Å; Q76-K80 PolarHBondContact O-N 3.5Å
77	G	86.7	Confident	75.8	Confident	50 Å²	50	77.8 Å²	77.8	52%	0.515	46%	0.456	S	S	.	.	H	α-helix	trans	-66.5	-36.8	174.7	0	0	0	0	0	114.5	P75 T81	P75-G77 PolarHBondContact O-N 3.48Å; G77-T81 WeakPolarHBondContact O-CB 3.42Å; G77-T81 PolarHBondContact O-N 2.67Å; G77-T81 VanDerWaalsContact O-N 3.08Å; G77-T81 PolarHBondContact O-OG1 3.33Å
78	E	90.4	Very high	78.5	Confident	49 Å²	49	73.2 Å²	73.2	23%	0.229	42%	0.422	C	S	.	.	H	α-helix	trans	-71.3	-43.6	175.4	-67.8	-175.5	-176.9	0	0	110.8	I74 P75 K80 T81 V82 V134 R138	I74-E78 HydrophobicContact CG2-CB 4.27Å; P75-E78 HydrophobicContact CB-CG 4.25Å; P75-E78 HydrophobicContact CG-CG 4.43Å; P75-E78 WeakPolarHBondContact O-CB 3.2Å; P75-E78 PolarHBondContact O-N 3.44Å; E78-K80 VanDerWaalsContact C-N 3.33Å; E78-K80 PolarHBondContact O-N 3.07Å; E78-T81 WeakPolarHBondContact O-CB 3.42Å; E78-T81 PolarHBondContact O-N 2.97Å; E78-T81 VanDerWaalsContact O-N 3.12Å; E78-V82 PolarHBondContact O-N 3.48Å; E78-V134 HydrophobicContact CB-CG1 3.78Å; E78-V134 HydrophobicContact CG-CG1 3.89Å; E78-V134 HydrophobicContact CG-CG2 4.19Å; E78-R138 IonicContact OE2-CZ 2.74Å; E78-R138 IonicContact OE2-NE 2.67Å; E78-R138 PolarHBondContact OE2-NE 3.25Å; E78-R138 IonicContact OE2-NH2 3.14Å; E78-R138 PolarHBondContact OE2-NH2 3.03Å; E78-R138 VanDerWaalsContact OE2-NH2 3.08Å
79	R	90.3	Very high	81.3	Confident	117 Å²	117	71.8 Å²	71.8	44%	0.442	40%	0.402	S	S	.	.	H	α-helix	trans	-59.2	-44.9	175.5	-169.7	173.6	179.7	168.1	-1.8	111.4	I74 P75 T81 V82 T83	I74-R79 HydrophobicContact CG2-CB 4.31Å; P75-R79 PolarHBondContact O-N 3.41Å; P75-R79 VanDerWaalsContact O-N 3.17Å; R79-T81 VanDerWaalsContact C-N 3.32Å; R79-T81 PolarHBondContact O-N 3.47Å; R79-V82 PolarHBondContact O-N 3.44Å; R79-T83 PolarHBondContact O-N 3.37Å; R79-T83 PolarHBondContact O-OG1 3.09Å; R79-T83 VanDerWaalsContact O-OG1 3.1Å
80	K	93.8	Very high	83.9	Confident	136 Å²	136	71 Å²	71	59%	0.591	38%	0.378	S	S	*	.	H	α-helix	trans	-59.3	-42.5	174.6	-176.6	179.1	177.7	-176.8	0	112	Q76 E78 V82 T83 D84	Q76-K80 WeakPolarHBondContact O-CB 3.4Å; Q76-K80 PolarHBondContact O-N 3.5Å; E78-K80 VanDerWaalsContact C-N 3.33Å; E78-K80 PolarHBondContact O-N 3.07Å; K80-V82 VanDerWaalsContact C-N 3.34Å; K80-V82 PolarHBondContact O-N 2.97Å; K80-T83 PolarHBondContact O-N 3.27Å; K80-D84 WeakPolarHBondContact O-CB 3.47Å; K80-D84 VanDerWaalsContact O-CG 3.31Å; K80-D84 PolarHBondContact O-N 3.02Å
81	T	94.5	Very high	86.6	Confident	19 Å²	19	70.5 Å²	70.5	12%	0.117	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-43.1	178.9	-63.9	0	0	0	0	111.6	G77 E78 R79 F85 F127 H131 V134 L135	G77-T81 WeakPolarHBondContact O-CB 3.42Å; G77-T81 PolarHBondContact O-N 2.67Å; G77-T81 VanDerWaalsContact O-N 3.08Å; G77-T81 PolarHBondContact O-OG1 3.33Å; E78-T81 WeakPolarHBondContact O-CB 3.42Å; E78-T81 PolarHBondContact O-N 2.97Å; E78-T81 VanDerWaalsContact O-N 3.12Å; R79-T81 VanDerWaalsContact C-N 3.32Å; R79-T81 PolarHBondContact O-N 3.47Å; T81-F85 WeakPolarHBondContact O-CB 3.38Å; T81-F85 PolarHBondContact O-N 3.12Å; T81-F127 HydrophobicContact CG2-CE1 3.92Å; T81-F127 HydrophobicContact CG2-CZ 4.03Å; T81-F127 WeakPolarHBondContact O-CE1 3.26Å; T81-H131 HydrophobicContact CG2-CB 3.57Å; T81-V134 HydrophobicContact CG2-CB 4.29Å; T81-V134 HydrophobicContact CG2-CG1 4Å; T81-L135 HydrophobicContact CG2-CD2 4.47Å
82	V	95.3	Very high	88.8	Confident	3 Å²	3	64 Å²	64	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-45.4	176.1	-178.5	0	0	0	0	111	L61 E78 R79 K80 D84 F85 C86 R138 Y139	L61-V82 HydrophobicContact CD2-CB 4.38Å; L61-V82 HydrophobicContact CD2-CG1 3.6Å; E78-V82 PolarHBondContact O-N 3.48Å; R79-V82 PolarHBondContact O-N 3.44Å; K80-V82 VanDerWaalsContact C-N 3.34Å; K80-V82 PolarHBondContact O-N 2.97Å; V82-D84 PolarHBondContact O-N 2.97Å; V82-F85 WeakPolarHBondContact O-CB 3.46Å; V82-F85 PolarHBondContact O-N 2.87Å; V82-C86 PolarHBondContact O-N 3.13Å; V82-C86 PolarHBondContact O-SG 2.89Å; V82-C86 VanDerWaalsContact O-SG 3.4Å; V82-R138 HydrophobicContact CG2-CB 3.88Å; V82-Y139 HydrophobicContact CG1-CD2 3.73Å; V82-Y139 HydrophobicContact CG1-CG 4.28Å
83	T	95.1	Very high	91.1	Very high	39 Å²	39	60.8 Å²	60.8	24%	0.239	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-45.3	177.1	-56.5	0	0	0	0	112.2	L61 R79 K80 F85 C86 Y87	L61-T83 HydrophobicContact CD1-CG2 4.34Å; L61-T83 WeakPolarHBondContact CD1-OG1 3.12Å; R79-T83 PolarHBondContact O-N 3.37Å; R79-T83 PolarHBondContact O-OG1 3.09Å; R79-T83 VanDerWaalsContact O-OG1 3.1Å; K80-T83 PolarHBondContact O-N 3.27Å; T83-F85 VanDerWaalsContact C-N 3.32Å; T83-F85 PolarHBondContact O-N 3.37Å; T83-C86 PolarHBondContact O-N 3Å; T83-Y87 PolarHBondContact O-N 2.91Å
84	D	97.1	Very high	92.7	Very high	65 Å²	65	60.2 Å²	60.2	35%	0.348	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-37.8	178.7	-74	-16.9	0	0	0	111.4	K80 V82 Y87 L88 F127	K80-D84 WeakPolarHBondContact O-CB 3.47Å; K80-D84 VanDerWaalsContact O-CG 3.31Å; K80-D84 PolarHBondContact O-N 3.02Å; V82-D84 PolarHBondContact O-N 2.97Å; D84-Y87 PolarHBondContact O-N 3.18Å; D84-L88 WeakPolarHBondContact O-CG 3.43Å; D84-L88 PolarHBondContact O-N 3.15Å; D84-F127 HydrophobicContact CB-CE2 4.15Å; D84-F127 HydrophobicContact CB-CZ 3.77Å
85	F	97.9	Very high	94.2	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.009	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-48.1	173.3	177.6	-104.7	0	0	0	112.2	T81 V82 T83 Y87 L88 L89 L124 F127 Q128 L135 Y139 L141 I149	T81-F85 WeakPolarHBondContact O-CB 3.38Å; T81-F85 PolarHBondContact O-N 3.12Å; V82-F85 WeakPolarHBondContact O-CB 3.46Å; V82-F85 PolarHBondContact O-N 2.87Å; T83-F85 VanDerWaalsContact C-N 3.32Å; T83-F85 PolarHBondContact O-N 3.37Å; F85-Y87 VanDerWaalsContact C-N 3.32Å; F85-Y87 PolarHBondContact O-N 3.05Å; F85-L88 PolarHBondContact O-N 2.99Å; F85-L89 HydrophobicContact CE1-CD2 4.32Å; F85-L89 WeakPolarHBondContact O-CB 3.36Å; F85-L89 PolarHBondContact O-N 3.25Å; F85-L124 HydrophobicContact CD2-CD1 3.75Å; F85-L124 HydrophobicContact CE2-CD1 3.5Å; F85-L124 VanDerWaalsContact CE2-CD1 3.5Å; F85-L124 HydrophobicContact CZ-CD1 4.38Å; F85-F127 HydrophobicContact CB-CD1 4.08Å; F85-F127 HydrophobicContact CB-CE1 3.81Å; F85-F127 HydrophobicContact CD2-CD1 4.12Å; F85-Q128 HydrophobicContact CD2-CB 4.39Å; F85-Q128 HydrophobicContact CE2-CB 3.86Å; F85-L135 HydrophobicContact CB-CD2 3.67Å; F85-L135 HydrophobicContact CD1-CD2 3.94Å; F85-L135 HydrophobicContact CD2-CD1 3.84Å; F85-L135 HydrophobicContact CD2-CD2 4.32Å; F85-L135 HydrophobicContact CE2-CD1 4.17Å; F85-L135 HydrophobicContact CG-CD1 4.08Å; F85-L135 HydrophobicContact CG-CD2 3.71Å; F85-Y139 HydrophobicContact CD1-CD1 4.3Å; F85-Y139 HydrophobicContact CD1-CD2 4.36Å; F85-Y139 HydrophobicContact CD1-CE1 4.22Å; F85-Y139 HydrophobicContact CD1-CE2 4.27Å; F85-Y139 HydrophobicContact CD1-CG 4.36Å; F85-Y139 AromaticContact CE1-CD1 3.97Å; F85-Y139 HydrophobicContact CE1-CD1 3.97Å; F85-Y139 AromaticContact CE1-CE1 3.58Å; F85-Y139 HydrophobicContact CE1-CE1 3.58Å; F85-Y139 HydrophobicContact CE1-CE2 4.3Å; F85-Y139 HydrophobicContact CE1-CG 4.47Å; F85-Y139 AromaticContact CE1-CZ 3.76Å; F85-L141 HydrophobicContact CE1-CD1 4.24Å; F85-L141 HydrophobicContact CZ-CD1 3.95Å; F85-I149 HydrophobicContact CE2-CD1 4.36Å; F85-I149 HydrophobicContact CZ-CD1 4.27Å
86	C	96.7	Very high	94.9	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-43.9	176.8	-69.8	0	0	0	0	111.5	T57 V82 T83 L88 L89 D90 Y139	T57-C86 HydrophobicContact CG2-CB 3.8Å; V82-C86 PolarHBondContact O-N 3.13Å; V82-C86 PolarHBondContact O-SG 2.89Å; V82-C86 VanDerWaalsContact O-SG 3.4Å; T83-C86 PolarHBondContact O-N 3Å; C86-L88 PolarHBondContact O-N 2.96Å; C86-L89 PolarHBondContact O-N 3.2Å; C86-D90 PolarHBondContact O-N 2.87Å; C86-Y139 VanDerWaalsContact SG-CE2 3.58Å
87	Y	97.7	Very high	95.5	Very high	55 Å²	55	51.5 Å²	51.5	22%	0.216	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-49.1	174.8	173.2	-91.7	0	0	0	111.9	Y50 F53 T83 D84 F85 L89 K91	Y50-Y87 PolarHBondContact OH-OH 3.18Å; F53-Y87 AromaticContact CD1-CD2 3.99Å; F53-Y87 HydrophobicContact CD1-CD2 3.99Å; F53-Y87 AromaticContact CE1-CD2 3.42Å; F53-Y87 HydrophobicContact CE1-CD2 3.42Å; F53-Y87 VanDerWaalsContact CE1-CD2 3.42Å; F53-Y87 HydrophobicContact CE1-CE2 4.23Å; F53-Y87 HydrophobicContact CE1-CG 4.29Å; F53-Y87 AromaticContact CZ-CD2 3.99Å; F53-Y87 HydrophobicContact CZ-CD2 3.99Å; T83-Y87 PolarHBondContact O-N 2.91Å; D84-Y87 PolarHBondContact O-N 3.18Å; F85-Y87 VanDerWaalsContact C-N 3.32Å; F85-Y87 PolarHBondContact O-N 3.05Å; Y87-L89 VanDerWaalsContact C-N 3.33Å; Y87-L89 PolarHBondContact O-N 3.29Å; Y87-K91 HydrophobicContact CE1-CD 3.74Å; Y87-K91 WeakPolarHBondContact O-CB 3.42Å; Y87-K91 PolarHBondContact O-N 3.41Å; Y87-K91 PolarHBondContact OH-NZ 3.18Å
88	L	98	Very high	95.8	Very high	23 Å²	23	49.7 Å²	49.7	12%	0.12	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-40.9	178.3	-74.6	172.5	0	0	0	111.7	D84 F85 C86 S92 K123 L124 F127	D84-L88 WeakPolarHBondContact O-CG 3.43Å; D84-L88 PolarHBondContact O-N 3.15Å; F85-L88 PolarHBondContact O-N 2.99Å; C86-L88 PolarHBondContact O-N 2.96Å; L88-S92 VanDerWaalsContact O-CB 3.25Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.2Å; L88-S92 PolarHBondContact O-OG 3.08Å; L88-K123 HydrophobicContact CD2-CB 4.31Å; L88-L124 HydrophobicContact CB-CB 4.3Å; L88-L124 HydrophobicContact CB-CD1 3.82Å; L88-F127 HydrophobicContact CD1-CB 3.95Å; L88-F127 HydrophobicContact CD1-CD2 3.96Å; L88-F127 HydrophobicContact CD1-CG 3.88Å
89	L	97.4	Very high	95.9	Very high	24 Å²	24	47.7 Å²	47.7	13%	0.126	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-50.1	179.3	-174.6	64	0	0	0	111.2	F85 C86 Y87 S92 K93 L124 I149	F85-L89 HydrophobicContact CE1-CD2 4.32Å; F85-L89 WeakPolarHBondContact O-CB 3.36Å; F85-L89 PolarHBondContact O-N 3.25Å; C86-L89 PolarHBondContact O-N 3.2Å; Y87-L89 VanDerWaalsContact C-N 3.33Å; Y87-L89 PolarHBondContact O-N 3.29Å; L89-S92 PolarHBondContact O-N 3.27Å; L89-S92 PolarHBondContact O-OG 3.13Å; L89-K93 WeakPolarHBondContact O-CG 3.48Å; L89-K93 PolarHBondContact O-N 2.96Å; L89-K93 VanDerWaalsContact O-N 3.08Å; L89-L124 HydrophobicContact CB-CD1 4.43Å; L89-L124 HydrophobicContact CD1-CD2 4.03Å; L89-I149 HydrophobicContact CD1-CG1 4.38Å
90	D	97.1	Very high	95.8	Very high	65 Å²	65	51.3 Å²	51.3	35%	0.348	24%	0.243	S	C	.	.	H	α-helix	trans	-70.6	-38.9	-178.6	-72.7	-17.6	0	0	0	112.6	F53 C86 S92 K93 Q94	F53-D90 HydrophobicContact CZ-CB 4.29Å; C86-D90 PolarHBondContact O-N 2.87Å; D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 PolarHBondContact O-N 3.07Å; D90-K93 PolarHBondContact O-N 2.75Å; D90-K93 IonicContact OD1-NZ 3.47Å; D90-K93 PolarHBondContact OD1-NZ 2.92Å; D90-Q94 WeakPolarHBondContact O-CB 2.85Å; D90-Q94 PolarHBondContact O-N 3.35Å
91	K	97.9	Very high	95.5	Very high	74 Å²	74	51.5 Å²	51.5	32%	0.322	25%	0.25	S	C	.	.	H	α-helix	trans	-60.3	-41.2	172.4	-170.7	174.1	-169.4	168.3	0	111.8	Y87 Q94 L95 V120	Y87-K91 HydrophobicContact CE1-CD 3.74Å; Y87-K91 WeakPolarHBondContact O-CB 3.42Å; Y87-K91 PolarHBondContact O-N 3.41Å; Y87-K91 PolarHBondContact OH-NZ 3.18Å; K91-Q94 PolarHBondContact O-N 3.4Å; K91-L95 HydrophobicContact CG-CD1 4.4Å; K91-L95 WeakPolarHBondContact O-CG 3.2Å; K91-L95 PolarHBondContact O-N 3.26Å; K91-V120 HydrophobicContact CB-CG1 4.35Å; K91-V120 HydrophobicContact CD-CG1 4.47Å; K91-V120 HydrophobicContact CD-CG2 4.27Å; K91-V120 HydrophobicContact CG-CG1 4.22Å; K91-V120 HydrophobicContact CG-CG2 4.46Å
92	S	97.6	Very high	95.3	Very high	2 Å²	2	52 Å²	52	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-40.4	177.5	78.6	0	0	0	0	112	L88 L89 D90 F96 Y121 L124	L88-S92 VanDerWaalsContact O-CB 3.25Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.2Å; L88-S92 PolarHBondContact O-OG 3.08Å; L89-S92 PolarHBondContact O-N 3.27Å; L89-S92 PolarHBondContact O-OG 3.13Å; D90-S92 VanDerWaalsContact C-N 3.3Å; D90-S92 PolarHBondContact O-N 3.07Å; S92-F96 VanDerWaalsContact O-CB 3.25Å; S92-F96 WeakPolarHBondContact O-CB 3.32Å; S92-F96 PolarHBondContact O-N 2.67Å; S92-Y121 WeakPolarHBondContact O-CE2 3.49Å; S92-Y121 PolarHBondContact O-OH 3.34Å; S92-L124 WeakPolarHBondContact OG-CD2 3.44Å
93	K	96	Very high	94.8	Very high	93 Å²	93	53.6 Å²	53.6	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-44.6	175.9	-69.3	169.6	-171	159.4	0	111.5	L89 D90 L95 F96 N97	L89-K93 WeakPolarHBondContact O-CG 3.48Å; L89-K93 PolarHBondContact O-N 2.96Å; L89-K93 VanDerWaalsContact O-N 3.08Å; D90-K93 PolarHBondContact O-N 2.75Å; D90-K93 IonicContact OD1-NZ 3.47Å; D90-K93 PolarHBondContact OD1-NZ 2.92Å; K93-L95 PolarHBondContact O-N 2.73Å; K93-F96 PolarHBondContact O-N 3.22Å; K93-N97 WeakPolarHBondContact O-CB 3.16Å; K93-N97 VanDerWaalsContact O-CG 3.28Å; K93-N97 PolarHBondContact O-N 3.18Å; K93-N97 PolarHBondContact O-ND2 2.94Å
94	Q	97.2	Very high	94.4	Very high	141 Å²	141	57.1 Å²	57.1	66%	0.659	28%	0.276	S	S	*	.	H	α-helix	trans	-58.9	-49.1	178.3	-174.6	-176.1	15.8	0	0	111.1	D90 K91 N97 G98	D90-Q94 WeakPolarHBondContact O-CB 2.85Å; D90-Q94 PolarHBondContact O-N 3.35Å; K91-Q94 PolarHBondContact O-N 3.4Å; Q94-N97 PolarHBondContact O-N 2.92Å; Q94-G98 PolarHBondContact O-N 3.21Å; Q94-G98 VanDerWaalsContact O-N 3.12Å
95	L	96.9	Very high	93.6	Very high	22 Å²	22	58 Å²	58	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-46.7	176.8	-71.2	174.1	0	0	0	111.1	K91 K93 N97 G98 L99 Y113 T117 V120	K91-L95 HydrophobicContact CG-CD1 4.4Å; K91-L95 WeakPolarHBondContact O-CG 3.2Å; K91-L95 PolarHBondContact O-N 3.26Å; K93-L95 PolarHBondContact O-N 2.73Å; L95-N97 VanDerWaalsContact C-N 3.3Å; L95-N97 PolarHBondContact O-N 3.34Å; L95-G98 PolarHBondContact O-N 2.87Å; L95-G98 VanDerWaalsContact O-N 3.14Å; L95-L99 PolarHBondContact O-N 3.18Å; L95-Y113 WeakPolarHBondContact CA-OH 3.1Å; L95-Y113 HydrophobicContact CB-CE1 4.4Å; L95-Y113 HydrophobicContact CD2-CE1 4.11Å; L95-Y113 HydrophobicContact CD2-CE2 4.49Å; L95-Y113 VanDerWaalsContact O-CE1 3.23Å; L95-Y113 WeakPolarHBondContact O-CE1 3.07Å; L95-Y113 PolarHBondContact O-OH 2.79Å; L95-T117 HydrophobicContact CB-CG2 4.03Å; L95-V120 HydrophobicContact CD1-CB 4Å; L95-V120 HydrophobicContact CD1-CG1 4.45Å; L95-V120 HydrophobicContact CD1-CG2 3.63Å
96	F	96.1	Very high	92.6	Very high	5 Å²	5	58 Å²	58	2%	0.022	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-42.6	179.7	-164.6	-84.7	0	0	0	112.8	S92 K93 L99 Y121 K152 Q155 L156	S92-F96 VanDerWaalsContact O-CB 3.25Å; S92-F96 WeakPolarHBondContact O-CB 3.32Å; S92-F96 PolarHBondContact O-N 2.67Å; K93-F96 PolarHBondContact O-N 3.22Å; F96-L99 HydrophobicContact CD2-CD1 4.22Å; F96-L99 HydrophobicContact CE2-CD1 4.42Å; F96-L99 WeakPolarHBondContact O-CB 3.43Å; F96-L99 PolarHBondContact O-N 3.23Å; F96-Y121 HydrophobicContact CB-CE2 4.02Å; F96-Y121 AromaticContact CD2-CE2 3.84Å; F96-Y121 HydrophobicContact CD2-CE2 3.84Å; F96-Y121 AromaticContact CD2-CZ 4Å; F96-Y121 HydrophobicContact CG-CE2 4.38Å; F96-K152 HydrophobicContact CD1-CD 4.09Å; F96-K152 HydrophobicContact CD2-CD 4.23Å; F96-K152 HydrophobicContact CE1-CD 3.93Å; F96-K152 HydrophobicContact CE2-CD 4.06Å; F96-K152 WeakPolarHBondContact CE2-O 3.49Å; F96-K152 HydrophobicContact CG-CD 4.25Å; F96-K152 HydrophobicContact CZ-CD 3.93Å; F96-Q155 HydrophobicContact CE2-CB 4.37Å; F96-Q155 HydrophobicContact CZ-CB 3.98Å; F96-Q155 VanDerWaalsContact CZ-CD 3.4Å; F96-Q155 HydrophobicContact CZ-CG 3.74Å; F96-Q155 VanDerWaalsContact CZ-OE1 3.23Å; F96-L156 HydrophobicContact CE2-CB 4.23Å; F96-L156 HydrophobicContact CE2-CD1 4.47Å
97	N	95.3	Very high	91.2	Very high	87 Å²	87	60 Å²	60	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-39.6	178.6	-72	-20.1	0	0	0	111.8	K93 Q94 L95 L99 R100	K93-N97 WeakPolarHBondContact O-CB 3.16Å; K93-N97 VanDerWaalsContact O-CG 3.28Å; K93-N97 PolarHBondContact O-N 3.18Å; K93-N97 PolarHBondContact O-ND2 2.94Å; Q94-N97 PolarHBondContact O-N 2.92Å; L95-N97 VanDerWaalsContact C-N 3.3Å; L95-N97 PolarHBondContact O-N 3.34Å; N97-L99 PolarHBondContact O-N 3.29Å; N97-L99 VanDerWaalsContact O-N 3.16Å; N97-R100 WeakPolarHBondContact O-CB 3.16Å; N97-R100 PolarHBondContact O-N 2.77Å; N97-R100 VanDerWaalsContact O-N 3.12Å
98	G	94.1	Very high	89.9	Confident	12 Å²	12	65.7 Å²	65.7	12%	0.124	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-13.5	177.4	0	0	0	0	0	114.5	Q94 L95 R100 D101 Y113	Q94-G98 PolarHBondContact O-N 3.21Å; Q94-G98 VanDerWaalsContact O-N 3.12Å; L95-G98 PolarHBondContact O-N 2.87Å; L95-G98 VanDerWaalsContact O-N 3.14Å; G98-R100 PolarHBondContact O-N 2.88Å; G98-D101 PolarHBondContact O-N 2.85Å; G98-Y113 WeakPolarHBondContact CA-OH 3.1Å
99	L	92	Very high	89	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.037	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-62.9	-25.6	171.1	-64.5	173.5	0	0	0	113	L95 F96 N97 D101 L102 Y113 F114 T117 L156	L95-L99 PolarHBondContact O-N 3.18Å; F96-L99 HydrophobicContact CD2-CD1 4.22Å; F96-L99 HydrophobicContact CE2-CD1 4.42Å; F96-L99 WeakPolarHBondContact O-CB 3.43Å; F96-L99 PolarHBondContact O-N 3.23Å; N97-L99 PolarHBondContact O-N 3.29Å; N97-L99 VanDerWaalsContact O-N 3.16Å; L99-D101 VanDerWaalsContact C-N 3.3Å; L99-L102 HydrophobicContact CD2-CD1 3.85Å; L99-L102 PolarHBondContact O-N 2.96Å; L99-Y113 HydrophobicContact CD2-CD1 3.53Å; L99-Y113 HydrophobicContact CD2-CE1 3.89Å; L99-Y113 HydrophobicContact CG-CD1 4.4Å; L99-Y113 HydrophobicContact CG-CE1 4.27Å; L99-F114 HydrophobicContact CD1-CE1 4.34Å; L99-F114 HydrophobicContact CD2-CD1 4.26Å; L99-F114 HydrophobicContact CD2-CD2 3.85Å; L99-F114 HydrophobicContact CD2-CE1 4.25Å; L99-F114 HydrophobicContact CD2-CE2 3.83Å; L99-F114 HydrophobicContact CD2-CG 4.1Å; L99-F114 HydrophobicContact CD2-CZ 4.05Å; L99-T117 HydrophobicContact CD1-CG2 4.26Å; L99-L156 HydrophobicContact CD1-CD1 3.43Å; L99-L156 VanDerWaalsContact CD1-CD1 3.43Å
100	R	88.2	Confident	88.5	Confident	193 Å²	193	69.7 Å²	69.7	73%	0.728	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-69.4	-30.4	179.9	-65.4	-179.7	174.9	-173.4	-3.5	112.6	N97 G98 L102	N97-R100 WeakPolarHBondContact O-CB 3.16Å; N97-R100 PolarHBondContact O-N 2.77Å; N97-R100 VanDerWaalsContact O-N 3.12Å; G98-R100 PolarHBondContact O-N 2.88Å; R100-L102 VanDerWaalsContact C-N 3.29Å
101	D	88.1	Confident	88.2	Confident	139 Å²	139	70.7 Å²	70.7	74%	0.743	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-85.1	-8.2	-177.2	-54.1	-42.8	0	0	0	112.1	G98 L99	G98-D101 PolarHBondContact O-N 2.85Å; L99-D101 VanDerWaalsContact C-N 3.3Å
102	L	89	Confident	87.8	Confident	29 Å²	29	71 Å²	71	15%	0.152	34%	0.342	C	S	.	.	S	Bend	trans	-74.9	137.1	178.3	-64.1	176.4	0	0	0	110.6	L99 R100 Q104 W110 Y113 F114	L99-L102 HydrophobicContact CD2-CD1 3.85Å; L99-L102 PolarHBondContact O-N 2.96Å; R100-L102 VanDerWaalsContact C-N 3.29Å; L102-Q104 PolarHBondContact O-N 3.46Å; L102-W110 HydrophobicContact CB-CB 4.32Å; L102-W110 HydrophobicContact CD1-CB 3.96Å; L102-Y113 HydrophobicContact CD1-CD1 3.87Å; L102-Y113 HydrophobicContact CD1-CG 3.81Å; L102-Y113 HydrophobicContact CD2-CD2 4.28Å; L102-Y113 HydrophobicContact CD2-CG 4.31Å; L102-F114 HydrophobicContact CD1-CE2 4.48Å
103	P	86.3	Confident	87.7	Confident	37 Å²	37	73 Å²	73	24%	0.24	35%	0.349	C	S	.	.			trans	-51.3	136.3	170.2	-28.1	36.4	0	0	0	111.2	Y105	P103-Y105 HydrophobicContact CB-CD2 4.34Å; P103-Y105 HydrophobicContact CB-CE1 4.27Å; P103-Y105 HydrophobicContact CB-CE2 4.07Å
104	Q	85.2	Confident	87.6	Confident	113 Å²	113	68.7 Å²	68.7	53%	0.528	33%	0.33	S	S	.	.	S	Bend	trans	-82.1	-9.4	178.8	-58.6	-145.7	33.4	0	0	113.9	L102 R163 Y359 F372	L102-Q104 PolarHBondContact O-N 3.46Å; Q104-R163 PolarHBondContact O-NH1 2.65Å; Q104-Y359 WeakPolarHBondContact O-CE1 3.26Å; Q104-F372 HydrophobicContact CB-CE1 4.01Å; Q104-F372 HydrophobicContact CB-CZ 3.6Å
105	Y	81.9	Confident	87.5	Confident	84 Å²	84	63.4 Å²	63.4	33%	0.329	31%	0.314	S	S	.	.	S	Bend	trans	-117.1	158.8	-179.9	52.2	-94.1	0	0	0	109.4	P103 T371 F372 A375	P103-Y105 HydrophobicContact CB-CD2 4.34Å; P103-Y105 HydrophobicContact CB-CE1 4.27Å; P103-Y105 HydrophobicContact CB-CE2 4.07Å; Y105-T371 HydrophobicContact CD1-CG2 4Å; Y105-T371 HydrophobicContact CD2-CG2 4.32Å; Y105-T371 HydrophobicContact CE1-CG2 3.53Å; Y105-T371 HydrophobicContact CE2-CG2 3.88Å; Y105-T371 HydrophobicContact CG-CG2 4.38Å; Y105-T371 VanDerWaalsContact CZ-CG2 3.46Å; Y105-F372 HydrophobicContact CD1-CD2 4.23Å; Y105-F372 HydrophobicContact CD1-CE1 4.38Å; Y105-F372 HydrophobicContact CD1-CE2 4.01Å; Y105-F372 HydrophobicContact CD1-CZ 4.13Å; Y105-A375 HydrophobicContact CD2-CB 3.8Å; Y105-A375 HydrophobicContact CG-CB 4.1Å
106	G	76.6	Confident	87.5	Confident	3 Å²	3	68.9 Å²	68.9	3%	0.031	33%	0.333	C	S	.	.			trans	86.7	103.1	176.3	0	0	0	0	0	112.7	K108 W110 E379	G106-K108 PolarHBondContact O-N 3.5Å; G106-W110 PolarHBondContact O-NE1 3.48Å; G106-E379 WeakPolarHBondContact CA-OE1 3.38Å; G106-E379 VanDerWaalsContact CA-OE2 3.29Å; G106-E379 WeakPolarHBondContact CA-OE2 3.42Å
107	Q	66.8	Low	87.5	Confident	52 Å²	52	68.6 Å²	68.6	24%	0.243	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.5	-167.7	-73.7	-72.1	-12.6	0	0	114.6	Q111 H357 E379	Q107-Q111 VanDerWaalsContact O-CG 3.27Å; Q107-Q111 WeakPolarHBondContact O-CG 3.27Å; Q107-Q111 PolarHBondContact O-NE2 3.06Å; Q107-H357 PolarHBondContact NE2-CD2 3.28Å; Q107-H357 VanDerWaalsContact NE2-CD2 3.29Å; Q107-E379 WeakPolarHBondContact CG-OE2 3.27Å; Q107-E379 PolarHBondContact N-OE1 3.02Å; Q107-E379 PolarHBondContact N-OE2 3.13Å
108	K	70.8	Confident	87.6	Confident	175 Å²	175	65.9 Å²	65.9	76%	0.761	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-18.7	-167.6	-65.7	-176.9	179.4	179.1	0	115.9	G106	G106-K108 PolarHBondContact O-N 3.5Å
109	Q	77.9	Confident	87.8	Confident	127 Å²	127	69.9 Å²	69.9	59%	0.593	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-33.8	-168	-63.7	-174.1	5.7	0	0	113.1
110	W	88.2	Confident	88.1	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.015	34%	0.337	C	S	.	.	S	Bend	trans	-92.3	-24.1	-174.1	50.1	-97.8	0	0	0	113.8	L102 G106 S112 Y113 F114 Y160 R163 T164	L102-W110 HydrophobicContact CB-CB 4.32Å; L102-W110 HydrophobicContact CD1-CB 3.96Å; G106-W110 PolarHBondContact O-NE1 3.48Å; W110-S112 PolarHBondContact O-N 3.37Å; W110-Y113 WeakPolarHBondContact O-CB 3.42Å; W110-Y113 PolarHBondContact O-N 3.35Å; W110-Y113 VanDerWaalsContact O-N 3.09Å; W110-F114 HydrophobicContact CB-CD2 4.24Å; W110-F114 HydrophobicContact CB-CE2 4.34Å; W110-F114 AromaticContact CE3-CD2 3.73Å; W110-F114 HydrophobicContact CE3-CD2 3.73Å; W110-F114 HydrophobicContact CE3-CE2 4.09Å; W110-F114 HydrophobicContact CE3-CG 4.45Å; W110-F114 WeakPolarHBondContact O-CD2 3.31Å; W110-F114 PolarHBondContact O-N 2.98Å; W110-Y160 HydrophobicContact CE3-CE2 4.32Å; W110-Y160 HydrophobicContact CZ3-CD2 4.06Å; W110-Y160 AromaticContact CZ3-CE2 3.56Å; W110-Y160 HydrophobicContact CZ3-CE2 3.56Å; W110-R163 HydrophobicContact CD2-CB 4.35Å; W110-R163 HydrophobicContact CD2-CG 4.27Å; W110-R163 HydrophobicContact CE3-CB 4.15Å; W110-R163 HydrophobicContact CE3-CG 4.24Å; W110-R163 HydrophobicContact CH2-CB 3.61Å; W110-R163 HydrophobicContact CZ2-CB 3.81Å; W110-R163 WeakPolarHBondContact CZ2-O 3.31Å; W110-R163 HydrophobicContact CZ3-CB 3.77Å; W110-R163 HydrophobicContact CZ3-CG 4.36Å; W110-T164 HydrophobicContact CH2-CG2 3.95Å
111	Q	89.5	Confident	88.6	Confident	85 Å²	85	61.5 Å²	61.5	40%	0.397	30%	0.304	S	S	.	.	H	α-helix	trans	-55.3	-48.8	-171.4	-74.9	179.6	2.2	0	0	113.5	Q107 Y113 F114 G115	Q107-Q111 VanDerWaalsContact O-CG 3.27Å; Q107-Q111 WeakPolarHBondContact O-CG 3.27Å; Q107-Q111 PolarHBondContact O-NE2 3.06Å; Q111-Y113 VanDerWaalsContact C-N 3.27Å; Q111-Y113 PolarHBondContact O-N 3.01Å; Q111-F114 PolarHBondContact O-N 3.3Å; Q111-G115 PolarHBondContact O-N 3.46Å
112	S	91.3	Very high	89	Confident	82 Å²	82	57.7 Å²	57.7	57%	0.573	29%	0.286	S	S	*	.	H	α-helix	trans	-64.6	-31.8	-179.3	64.8	0	0	0	0	112.8	W110 R116	W110-S112 PolarHBondContact O-N 3.37Å; S112-R116 WeakPolarHBondContact O-CG 3.22Å; S112-R116 PolarHBondContact O-N 3.04Å; S112-R116 VanDerWaalsContact O-N 3.15Å
113	Y	94.3	Very high	89.5	Confident	43 Å²	43	62.7 Å²	62.7	17%	0.169	31%	0.306	C	S	.	.	H	α-helix	trans	-72.3	-42.8	176.7	-162.5	-70.1	0	0	0	111	L95 G98 L99 L102 W110 Q111 R116 T117	L95-Y113 WeakPolarHBondContact CA-OH 3.1Å; L95-Y113 HydrophobicContact CB-CE1 4.4Å; L95-Y113 HydrophobicContact CD2-CE1 4.11Å; L95-Y113 HydrophobicContact CD2-CE2 4.49Å; L95-Y113 VanDerWaalsContact O-CE1 3.23Å; L95-Y113 WeakPolarHBondContact O-CE1 3.07Å; L95-Y113 PolarHBondContact O-OH 2.79Å; G98-Y113 WeakPolarHBondContact CA-OH 3.1Å; L99-Y113 HydrophobicContact CD2-CD1 3.53Å; L99-Y113 HydrophobicContact CD2-CE1 3.89Å; L99-Y113 HydrophobicContact CG-CD1 4.4Å; L99-Y113 HydrophobicContact CG-CE1 4.27Å; L102-Y113 HydrophobicContact CD1-CD1 3.87Å; L102-Y113 HydrophobicContact CD1-CG 3.81Å; L102-Y113 HydrophobicContact CD2-CD2 4.28Å; L102-Y113 HydrophobicContact CD2-CG 4.31Å; W110-Y113 WeakPolarHBondContact O-CB 3.42Å; W110-Y113 PolarHBondContact O-N 3.35Å; W110-Y113 VanDerWaalsContact O-N 3.09Å; Q111-Y113 VanDerWaalsContact C-N 3.27Å; Q111-Y113 PolarHBondContact O-N 3.01Å; Y113-R116 VanDerWaalsContact CD2-NH2 3.34Å; Y113-R116 PolarHBondContact O-N 3.21Å; Y113-T117 WeakPolarHBondContact O-CB 3.48Å; Y113-T117 PolarHBondContact O-N 3.45Å; Y113-T117 PolarHBondContact O-OG1 3.14Å
114	F	94.4	Very high	90	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-46.4	171.6	-91.1	-91.9	0	0	0	111.5	L99 L102 W110 Q111 R116 T117 F118 L156 H159 Y160 R163	L99-F114 HydrophobicContact CD1-CE1 4.34Å; L99-F114 HydrophobicContact CD2-CD1 4.26Å; L99-F114 HydrophobicContact CD2-CD2 3.85Å; L99-F114 HydrophobicContact CD2-CE1 4.25Å; L99-F114 HydrophobicContact CD2-CE2 3.83Å; L99-F114 HydrophobicContact CD2-CG 4.1Å; L99-F114 HydrophobicContact CD2-CZ 4.05Å; L102-F114 HydrophobicContact CD1-CE2 4.48Å; W110-F114 HydrophobicContact CB-CD2 4.24Å; W110-F114 HydrophobicContact CB-CE2 4.34Å; W110-F114 AromaticContact CE3-CD2 3.73Å; W110-F114 HydrophobicContact CE3-CD2 3.73Å; W110-F114 HydrophobicContact CE3-CE2 4.09Å; W110-F114 HydrophobicContact CE3-CG 4.45Å; W110-F114 WeakPolarHBondContact O-CD2 3.31Å; W110-F114 PolarHBondContact O-N 2.98Å; Q111-F114 PolarHBondContact O-N 3.3Å; F114-R116 PolarHBondContact O-N 3.25Å; F114-T117 CarbonylContact O-C 3.5Å; F114-T117 WeakPolarHBondContact O-CA 3.49Å; F114-T117 WeakPolarHBondContact O-CB 3.34Å; F114-T117 PolarHBondContact O-N 2.93Å; F114-F118 HydrophobicContact CB-CD2 4.43Å; F114-F118 HydrophobicContact CD1-CE2 4.06Å; F114-F118 VanDerWaalsContact O-CD2 3.29Å; F114-F118 WeakPolarHBondContact O-CD2 3.33Å; F114-F118 PolarHBondContact O-N 2.74Å; F114-L156 HydrophobicContact CD1-CD1 3.74Å; F114-L156 HydrophobicContact CE1-CD1 3.82Å; F114-H159 HydrophobicContact CE1-CB 3.95Å; F114-H159 HydrophobicContact CZ-CB 4.02Å; F114-Y160 HydrophobicContact CB-CD2 3.91Å; F114-Y160 HydrophobicContact CB-CE2 3.82Å; F114-Y160 AromaticContact CD1-CD2 3.46Å; F114-Y160 HydrophobicContact CD1-CD2 3.46Å; F114-Y160 VanDerWaalsContact CD1-CD2 3.46Å; F114-Y160 HydrophobicContact CD1-CE2 4.25Å; F114-Y160 HydrophobicContact CD1-CG 4.33Å; F114-Y160 HydrophobicContact CD2-CD2 4.44Å; F114-Y160 AromaticContact CE1-CD2 3.97Å; F114-Y160 HydrophobicContact CE1-CD2 3.97Å; F114-Y160 AromaticContact CG-CD2 3.7Å; F114-Y160 HydrophobicContact CG-CD2 3.7Å; F114-Y160 HydrophobicContact CG-CE2 4.06Å; F114-R163 HydrophobicContact CE2-CG 4.3Å; F114-R163 HydrophobicContact CZ-CG 4.29Å
115	G	94.5	Very high	90.6	Very high	31 Å²	31	57.4 Å²	57.4	32%	0.32	28%	0.277	S	S	.	.	H	α-helix	trans	-54.1	-51.1	176.8	0	0	0	0	0	112.6	Q111 T117 F118 D119	Q111-G115 PolarHBondContact O-N 3.46Å; G115-T117 VanDerWaalsContact C-N 3.28Å; G115-T117 PolarHBondContact O-N 2.67Å; G115-F118 PolarHBondContact O-N 3.1Å; G115-D119 VanDerWaalsContact O-CG 3.3Å; G115-D119 PolarHBondContact O-N 3.39Å
116	R	96.6	Very high	91.4	Very high	136 Å²	136	58.9 Å²	58.9	51%	0.513	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-37.1	175.1	-71.2	-174.5	-64.3	170	1.4	113	S112 Y113 F114 V120	S112-R116 WeakPolarHBondContact O-CG 3.22Å; S112-R116 PolarHBondContact O-N 3.04Å; S112-R116 VanDerWaalsContact O-N 3.15Å; Y113-R116 VanDerWaalsContact CD2-NH2 3.34Å; Y113-R116 PolarHBondContact O-N 3.21Å; F114-R116 PolarHBondContact O-N 3.25Å; R116-V120 WeakPolarHBondContact O-CG2 3.25Å; R116-V120 PolarHBondContact O-N 3.07Å
117	T	97.5	Very high	92.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.3	-46.3	178.9	-52.5	0	0	0	0	110.6	L95 L99 Y113 F114 G115 D119 V120 Y121 L156	L95-T117 HydrophobicContact CB-CG2 4.03Å; L99-T117 HydrophobicContact CD1-CG2 4.26Å; Y113-T117 WeakPolarHBondContact O-CB 3.48Å; Y113-T117 PolarHBondContact O-N 3.45Å; Y113-T117 PolarHBondContact O-OG1 3.14Å; F114-T117 CarbonylContact O-C 3.5Å; F114-T117 WeakPolarHBondContact O-CA 3.49Å; F114-T117 WeakPolarHBondContact O-CB 3.34Å; F114-T117 PolarHBondContact O-N 2.93Å; G115-T117 VanDerWaalsContact C-N 3.28Å; G115-T117 PolarHBondContact O-N 2.67Å; T117-D119 VanDerWaalsContact C-N 3.34Å; T117-D119 PolarHBondContact O-N 2.6Å; T117-V120 PolarHBondContact O-N 3.18Å; T117-Y121 HydrophobicContact CG2-CD2 3.86Å; T117-Y121 HydrophobicContact CG2-CE2 3.96Å; T117-Y121 WeakPolarHBondContact O-CD2 3.29Å; T117-Y121 PolarHBondContact O-N 2.84Å; T117-L156 HydrophobicContact CG2-CD1 3.95Å; T117-L156 HydrophobicContact CG2-CD2 3.97Å
118	F	97.5	Very high	93.8	Very high	30 Å²	30	57.8 Å²	57.8	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-43.7	173.7	-85.3	-68.2	0	0	0	111.9	F114 G115 V120 Y121 T122 L156 Y157 Y160	F114-F118 HydrophobicContact CB-CD2 4.43Å; F114-F118 HydrophobicContact CD1-CE2 4.06Å; F114-F118 VanDerWaalsContact O-CD2 3.29Å; F114-F118 WeakPolarHBondContact O-CD2 3.33Å; F114-F118 PolarHBondContact O-N 2.74Å; G115-F118 PolarHBondContact O-N 3.1Å; F118-V120 PolarHBondContact O-N 3.46Å; F118-Y121 PolarHBondContact O-N 3.32Å; F118-T122 VanDerWaalsContact O-CB 3.26Å; F118-T122 WeakPolarHBondContact O-CB 3.35Å; F118-T122 PolarHBondContact O-N 3.47Å; F118-T122 PolarHBondContact O-OG1 3.42Å; F118-L156 HydrophobicContact CB-CD2 4.36Å; F118-L156 HydrophobicContact CD1-CD2 3.41Å; F118-L156 VanDerWaalsContact CD1-CD2 3.41Å; F118-L156 HydrophobicContact CD1-CG 4.01Å; F118-L156 HydrophobicContact CD2-CD2 4.07Å; F118-L156 HydrophobicContact CD2-CG 4.3Å; F118-L156 HydrophobicContact CE1-CB 4.26Å; F118-L156 HydrophobicContact CE1-CD2 3.58Å; F118-L156 HydrophobicContact CE1-CG 3.64Å; F118-L156 HydrophobicContact CE2-CD2 4.22Å; F118-L156 HydrophobicContact CE2-CG 3.97Å; F118-L156 HydrophobicContact CG-CD2 3.67Å; F118-L156 HydrophobicContact CG-CG 4.32Å; F118-L156 HydrophobicContact CZ-CB 4.42Å; F118-L156 HydrophobicContact CZ-CD2 4Å; F118-L156 HydrophobicContact CZ-CG 3.63Å; F118-Y157 AromaticContact CE1-CD1 3.8Å; F118-Y157 HydrophobicContact CE1-CD1 3.8Å; F118-Y157 HydrophobicContact CE1-CD2 4.21Å; F118-Y157 AromaticContact CE1-CE1 3.68Å; F118-Y157 HydrophobicContact CE1-CE1 3.68Å; F118-Y157 HydrophobicContact CE1-CE2 4.08Å; F118-Y157 HydrophobicContact CE1-CG 4.06Å; F118-Y157 AromaticContact CE1-CZ 3.84Å; F118-Y157 AromaticContact CZ-CD1 3.91Å; F118-Y157 HydrophobicContact CZ-CD1 3.91Å; F118-Y157 HydrophobicContact CZ-CE1 4.1Å; F118-Y157 HydrophobicContact CZ-CG 4.35Å; F118-Y160 AromaticContact CE2-CD2 3.93Å; F118-Y160 HydrophobicContact CE2-CD2 3.93Å; F118-Y160 HydrophobicContact CE2-CE2 4.43Å; F118-Y160 AromaticContact CE2-CG 3.98Å; F118-Y160 HydrophobicContact CE2-CG 3.98Å; F118-Y160 HydrophobicContact CZ-CG 4.34Å
119	D	97.9	Very high	95	Very high	96 Å²	96	54 Å²	54	51%	0.513	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-45.7	178.9	-72.9	-22.2	0	0	0	112.1	G115 T117 T122 K123	G115-D119 VanDerWaalsContact O-CG 3.3Å; G115-D119 PolarHBondContact O-N 3.39Å; T117-D119 VanDerWaalsContact C-N 3.34Å; T117-D119 PolarHBondContact O-N 2.6Å; D119-T122 PolarHBondContact O-N 3.07Å; D119-K123 WeakPolarHBondContact O-CB 3.29Å; D119-K123 VanDerWaalsContact O-CG 3.29Å; D119-K123 WeakPolarHBondContact O-CG 3.22Å; D119-K123 PolarHBondContact O-N 3.18Å
120	V	98.4	Very high	95.9	Very high	15 Å²	15	54.9 Å²	54.9	9%	0.091	27%	0.268	C	S	.	.	H	α-helix	trans	-67.9	-43.7	179.8	173.7	0	0	0	0	111.1	K91 L95 R116 T117 F118 T122 K123 L124	K91-V120 HydrophobicContact CB-CG1 4.35Å; K91-V120 HydrophobicContact CD-CG1 4.47Å; K91-V120 HydrophobicContact CD-CG2 4.27Å; K91-V120 HydrophobicContact CG-CG1 4.22Å; K91-V120 HydrophobicContact CG-CG2 4.46Å; L95-V120 HydrophobicContact CD1-CB 4Å; L95-V120 HydrophobicContact CD1-CG1 4.45Å; L95-V120 HydrophobicContact CD1-CG2 3.63Å; R116-V120 WeakPolarHBondContact O-CG2 3.25Å; R116-V120 PolarHBondContact O-N 3.07Å; T117-V120 PolarHBondContact O-N 3.18Å; F118-V120 PolarHBondContact O-N 3.46Å; V120-T122 VanDerWaalsContact C-N 3.34Å; V120-T122 PolarHBondContact O-N 3.05Å; V120-K123 PolarHBondContact O-N 2.97Å; V120-L124 WeakPolarHBondContact O-CB 3.35Å; V120-L124 PolarHBondContact O-N 3.19Å
121	Y	98.2	Very high	96.3	Very high	8 Å²	8	57.6 Å²	57.6	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-37.4	175.6	-91.2	-79	0	0	0	112.6	S92 F96 T117 F118 L124 W125 I149 K152 I153 L156	S92-Y121 WeakPolarHBondContact O-CE2 3.49Å; S92-Y121 PolarHBondContact O-OH 3.34Å; F96-Y121 HydrophobicContact CB-CE2 4.02Å; F96-Y121 AromaticContact CD2-CE2 3.84Å; F96-Y121 HydrophobicContact CD2-CE2 3.84Å; F96-Y121 AromaticContact CD2-CZ 4Å; F96-Y121 HydrophobicContact CG-CE2 4.38Å; T117-Y121 HydrophobicContact CG2-CD2 3.86Å; T117-Y121 HydrophobicContact CG2-CE2 3.96Å; T117-Y121 WeakPolarHBondContact O-CD2 3.29Å; T117-Y121 PolarHBondContact O-N 2.84Å; F118-Y121 PolarHBondContact O-N 3.32Å; Y121-L124 HydrophobicContact CD1-CD2 4.49Å; Y121-L124 PolarHBondContact O-N 2.99Å; Y121-W125 VanDerWaalsContact O-CB 3.26Å; Y121-W125 WeakPolarHBondContact O-CB 3.39Å; Y121-W125 PolarHBondContact O-N 3.19Å; Y121-I149 HydrophobicContact CD1-CG2 4.49Å; Y121-K152 HydrophobicContact CE1-CB 3.62Å; Y121-I153 HydrophobicContact CD1-CD1 4.37Å; Y121-I153 HydrophobicContact CD1-CG1 3.69Å; Y121-I153 HydrophobicContact CG-CG1 4.13Å; Y121-L156 HydrophobicContact CD2-CD2 4.23Å
122	T	97	Very high	96.5	Very high	60 Å²	60	56.4 Å²	56.4	37%	0.368	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-43.4	175.7	-60.8	0	0	0	0	110.9	F118 D119 V120 W125 K126	F118-T122 VanDerWaalsContact O-CB 3.26Å; F118-T122 WeakPolarHBondContact O-CB 3.35Å; F118-T122 PolarHBondContact O-N 3.47Å; F118-T122 PolarHBondContact O-OG1 3.42Å; D119-T122 PolarHBondContact O-N 3.07Å; V120-T122 VanDerWaalsContact C-N 3.34Å; V120-T122 PolarHBondContact O-N 3.05Å; T122-W125 PolarHBondContact O-N 2.97Å; T122-K126 HydrophobicContact CG2-CD 4.34Å; T122-K126 WeakPolarHBondContact O-CG 3.37Å; T122-K126 PolarHBondContact O-N 2.68Å
123	K	98	Very high	96.7	Very high	133 Å²	133	60 Å²	60	58%	0.578	28%	0.28	S	S	*	.	H	α-helix	trans	-61.9	-49.6	173.9	-73.9	172.8	-176.5	178.8	0	111.1	L88 D119 V120 W125 K126 F127	L88-K123 HydrophobicContact CD2-CB 4.31Å; D119-K123 WeakPolarHBondContact O-CB 3.29Å; D119-K123 VanDerWaalsContact O-CG 3.29Å; D119-K123 WeakPolarHBondContact O-CG 3.22Å; D119-K123 PolarHBondContact O-N 3.18Å; V120-K123 PolarHBondContact O-N 2.97Å; K123-W125 VanDerWaalsContact C-N 3.34Å; K123-W125 PolarHBondContact O-N 3Å; K123-K126 PolarHBondContact O-N 3.08Å; K123-F127 VanDerWaalsContact O-CB 3.23Å; K123-F127 WeakPolarHBondContact O-CB 3.35Å; K123-F127 PolarHBondContact O-N 3.18Å
124	L	98.2	Very high	96.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-46	177.4	177.4	62.2	0	0	0	111.8	F85 L88 L89 S92 V120 Y121 F127 Q128 I149	F85-L124 HydrophobicContact CD2-CD1 3.75Å; F85-L124 HydrophobicContact CE2-CD1 3.5Å; F85-L124 VanDerWaalsContact CE2-CD1 3.5Å; F85-L124 HydrophobicContact CZ-CD1 4.38Å; L88-L124 HydrophobicContact CB-CB 4.3Å; L88-L124 HydrophobicContact CB-CD1 3.82Å; L89-L124 HydrophobicContact CB-CD1 4.43Å; L89-L124 HydrophobicContact CD1-CD2 4.03Å; S92-L124 WeakPolarHBondContact OG-CD2 3.44Å; V120-L124 WeakPolarHBondContact O-CB 3.35Å; V120-L124 PolarHBondContact O-N 3.19Å; Y121-L124 HydrophobicContact CD1-CD2 4.49Å; Y121-L124 PolarHBondContact O-N 2.99Å; L124-F127 PolarHBondContact O-N 3.28Å; L124-Q128 VanDerWaalsContact O-CG 3.28Å; L124-Q128 WeakPolarHBondContact O-CG 3.47Å; L124-Q128 PolarHBondContact O-N 2.64Å; L124-Q128 VanDerWaalsContact O-N 3.09Å; L124-I149 HydrophobicContact CD2-CD1 4.25Å; L124-I149 HydrophobicContact CD2-CG1 4.24Å; L124-I149 HydrophobicContact CD2-CG2 4.1Å; L124-I149 HydrophobicContact CG-CD1 4.27Å; L124-I149 HydrophobicContact CG-CG2 4.32Å
125	W	97.4	Very high	96.8	Very high	40 Å²	40	59.2 Å²	59.2	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-41.6	180	-177	-111	0	0	0	112.8	Y121 T122 K123 Q128 Q129 I146 I149 A150 I153 F176	Y121-W125 VanDerWaalsContact O-CB 3.26Å; Y121-W125 WeakPolarHBondContact O-CB 3.39Å; Y121-W125 PolarHBondContact O-N 3.19Å; T122-W125 PolarHBondContact O-N 2.97Å; K123-W125 VanDerWaalsContact C-N 3.34Å; K123-W125 PolarHBondContact O-N 3Å; W125-Q128 WeakPolarHBondContact O-CG 3.43Å; W125-Q128 PolarHBondContact O-NE2 3.04Å; W125-Q129 VanDerWaalsContact NE1-NE2 3.15Å; W125-Q129 WeakPolarHBondContact O-CG 3.48Å; W125-I146 HydrophobicContact CH2-CG2 4.16Å; W125-I146 HydrophobicContact CZ3-CG2 3.86Å; W125-I149 HydrophobicContact CE3-CB 4.5Å; W125-I149 HydrophobicContact CE3-CG2 3.86Å; W125-I149 HydrophobicContact CZ3-CG2 4.44Å; W125-A150 HydrophobicContact CH2-CB 3.97Å; W125-A150 HydrophobicContact CZ3-CB 3.85Å; W125-I153 HydrophobicContact CB-CD1 3.9Å; W125-I153 HydrophobicContact CD2-CD1 4.1Å; W125-I153 HydrophobicContact CE3-CD1 4.05Å; W125-I153 HydrophobicContact CG-CD1 4.06Å; W125-F176 HydrophobicContact CZ2-CE1 4.36Å
126	K	97.4	Very high	96.7	Very high	115 Å²	115	61 Å²	61	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-69.9	-42.8	174.8	-72	178	178.9	-179.6	0	111.7	T122 K123 Q128 Q129 Q130	T122-K126 HydrophobicContact CG2-CD 4.34Å; T122-K126 WeakPolarHBondContact O-CG 3.37Å; T122-K126 PolarHBondContact O-N 2.68Å; K123-K126 PolarHBondContact O-N 3.08Å; K126-Q128 PolarHBondContact O-N 3.39Å; K126-Q129 WeakPolarHBondContact O-CB 3.29Å; K126-Q129 PolarHBondContact O-N 2.85Å; K126-Q129 VanDerWaalsContact O-N 3.07Å; K126-Q130 WeakPolarHBondContact O-CG 3.22Å; K126-Q130 PolarHBondContact O-N 3.32Å
127	F	97.9	Very high	96.5	Very high	31 Å²	31	60.3 Å²	60.3	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-47.6	-178	-166.2	-84	0	0	0	111.4	T81 D84 F85 L88 K123 L124 Q129 Q130 H131	T81-F127 HydrophobicContact CG2-CE1 3.92Å; T81-F127 HydrophobicContact CG2-CZ 4.03Å; T81-F127 WeakPolarHBondContact O-CE1 3.26Å; D84-F127 HydrophobicContact CB-CE2 4.15Å; D84-F127 HydrophobicContact CB-CZ 3.77Å; F85-F127 HydrophobicContact CB-CD1 4.08Å; F85-F127 HydrophobicContact CB-CE1 3.81Å; F85-F127 HydrophobicContact CD2-CD1 4.12Å; L88-F127 HydrophobicContact CD1-CB 3.95Å; L88-F127 HydrophobicContact CD1-CD2 3.96Å; L88-F127 HydrophobicContact CD1-CG 3.88Å; K123-F127 VanDerWaalsContact O-CB 3.23Å; K123-F127 WeakPolarHBondContact O-CB 3.35Å; K123-F127 PolarHBondContact O-N 3.18Å; L124-F127 PolarHBondContact O-N 3.28Å; F127-Q129 VanDerWaalsContact C-N 3.27Å; F127-Q129 PolarHBondContact O-N 3.12Å; F127-Q130 PolarHBondContact O-N 3.07Å; F127-H131 AromaticContact CD1-CD2 3.88Å; F127-H131 AromaticContact CD2-CD2 3.85Å; F127-H131 HydrophobicContact CE1-CB 4.33Å; F127-H131 AromaticContact CE1-CD2 3.74Å; F127-H131 AromaticContact CE2-CD2 3.73Å; F127-H131 AromaticContact CE2-NE2 3.89Å; F127-H131 AromaticContact CG-CD2 3.93Å; F127-H131 AromaticContact CZ-CD2 3.68Å; F127-H131 PolarHBondContact O-CD2 2.85Å; F127-H131 PolarHBondContact O-N 3.15Å
128	Q	96.7	Very high	96.3	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-20.4	178.4	65.2	88.2	40.3	0	0	114.5	F85 L124 W125 K126 L135 L141	F85-Q128 HydrophobicContact CD2-CB 4.39Å; F85-Q128 HydrophobicContact CE2-CB 3.86Å; L124-Q128 VanDerWaalsContact O-CG 3.28Å; L124-Q128 WeakPolarHBondContact O-CG 3.47Å; L124-Q128 PolarHBondContact O-N 2.64Å; L124-Q128 VanDerWaalsContact O-N 3.09Å; W125-Q128 WeakPolarHBondContact O-CG 3.43Å; W125-Q128 PolarHBondContact O-NE2 3.04Å; K126-Q128 PolarHBondContact O-N 3.39Å; Q128-L135 HydrophobicContact CB-CD1 3.97Å; Q128-L141 HydrophobicContact CB-CD2 4.48Å
129	Q	95.6	Very high	96	Very high	95 Å²	95	65.2 Å²	65.2	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-76.8	-46.1	170.9	-68.9	175.4	-11.7	0	0	111.2	W125 K126 F127	W125-Q129 VanDerWaalsContact NE1-NE2 3.15Å; W125-Q129 WeakPolarHBondContact O-CG 3.48Å; K126-Q129 WeakPolarHBondContact O-CB 3.29Å; K126-Q129 PolarHBondContact O-N 2.85Å; K126-Q129 VanDerWaalsContact O-N 3.07Å; F127-Q129 VanDerWaalsContact C-N 3.27Å; F127-Q129 PolarHBondContact O-N 3.12Å
130	Q	96.9	Very high	95.8	Very high	145 Å²	145	62.2 Å²	62.2	68%	0.678	30%	0.298	S	S	*	.	H	α-helix	trans	-68	-37.7	-176.6	-70.3	172.6	-13.8	0	0	112.5	K126 F127	K126-Q130 WeakPolarHBondContact O-CG 3.22Å; K126-Q130 PolarHBondContact O-N 3.32Å; F127-Q130 PolarHBondContact O-N 3.07Å
131	H	96.4	Very high	95.6	Very high	62 Å²	62	62 Å²	62	29%	0.287	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	21.2	-175.3	-60.8	-72.1	0	0	0	113.5	T81 F127 Q133 V134 L135	T81-H131 HydrophobicContact CG2-CB 3.57Å; F127-H131 AromaticContact CD1-CD2 3.88Å; F127-H131 AromaticContact CD2-CD2 3.85Å; F127-H131 HydrophobicContact CE1-CB 4.33Å; F127-H131 AromaticContact CE1-CD2 3.74Å; F127-H131 AromaticContact CE2-CD2 3.73Å; F127-H131 AromaticContact CE2-NE2 3.89Å; F127-H131 AromaticContact CG-CD2 3.93Å; F127-H131 AromaticContact CZ-CD2 3.68Å; F127-H131 PolarHBondContact O-CD2 2.85Å; F127-H131 PolarHBondContact O-N 3.15Å; H131-Q133 VanDerWaalsContact C-N 3.34Å; H131-Q133 PolarHBondContact O-N 3.24Å; H131-V134 PolarHBondContact O-N 2.67Å; H131-V134 VanDerWaalsContact O-N 3.15Å; H131-L135 HydrophobicContact CB-CD1 4.4Å; H131-L135 HydrophobicContact CB-CG 4.4Å; H131-L135 WeakPolarHBondContact O-CG 3.34Å; H131-L135 PolarHBondContact O-N 3.31Å
132	R	94.9	Very high	95.4	Very high	60 Å²	60	66.2 Å²	66.2	23%	0.226	32%	0.315	C	S	.	.	H	α-helix	trans	-45.6	-53.6	-173.8	177.5	65.9	66.3	-165.6	0.4	113.3	V134 L135 D136 L141 I146	R132-V134 VanDerWaalsContact C-N 3.33Å; R132-V134 PolarHBondContact O-N 3.43Å; R132-L135 PolarHBondContact O-N 3.07Å; R132-D136 WeakPolarHBondContact CD-OD1 3.42Å; R132-D136 VanDerWaalsContact CD-OD2 3.28Å; R132-D136 WeakPolarHBondContact CD-OD2 3.38Å; R132-D136 WeakPolarHBondContact CG-OD2 3.41Å; R132-D136 WeakPolarHBondContact O-CB 3.47Å; R132-D136 VanDerWaalsContact O-CG 3.22Å; R132-D136 PolarHBondContact O-N 3.31Å; R132-L141 VanDerWaalsContact NH1-CD2 3.28Å; R132-I146 VanDerWaalsContact NH1-CG1 3.26Å
133	Q	94.4	Very high	95.2	Very high	156 Å²	156	68.7 Å²	68.7	73%	0.729	32%	0.318	S	S	*	.	H	α-helix	trans	-61.3	-41.8	-173.8	-66.7	178.1	-1.3	0	0	112.1	H131 N137	H131-Q133 VanDerWaalsContact C-N 3.34Å; H131-Q133 PolarHBondContact O-N 3.24Å; Q133-N137 WeakPolarHBondContact O-CB 3.46Å; Q133-N137 VanDerWaalsContact O-CG 3.26Å; Q133-N137 PolarHBondContact O-N 2.96Å; Q133-N137 PolarHBondContact O-ND2 3.23Å
134	V	95.1	Very high	95	Very high	29 Å²	29	63.8 Å²	63.8	18%	0.176	30%	0.295	C	S	.	.	H	α-helix	trans	-67.3	-43.2	178.2	179.3	0	0	0	0	110.5	E78 T81 H131 R132 N137 R138	E78-V134 HydrophobicContact CB-CG1 3.78Å; E78-V134 HydrophobicContact CG-CG1 3.89Å; E78-V134 HydrophobicContact CG-CG2 4.19Å; T81-V134 HydrophobicContact CG2-CB 4.29Å; T81-V134 HydrophobicContact CG2-CG1 4Å; H131-V134 PolarHBondContact O-N 2.67Å; H131-V134 VanDerWaalsContact O-N 3.15Å; R132-V134 VanDerWaalsContact C-N 3.33Å; R132-V134 PolarHBondContact O-N 3.43Å; V134-N137 PolarHBondContact O-N 2.87Å; V134-R138 HydrophobicContact CG1-CG 4.31Å; V134-R138 WeakPolarHBondContact O-CB 3.26Å; V134-R138 PolarHBondContact O-N 3.43Å
135	L	95.7	Very high	94.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.304	C	S	.	.	I	π-helix	trans	-67.4	-37.8	179.3	-63.2	174.7	0	0	0	112.2	T81 F85 Q128 H131 R132 Y139 G140 L141	T81-L135 HydrophobicContact CG2-CD2 4.47Å; F85-L135 HydrophobicContact CB-CD2 3.67Å; F85-L135 HydrophobicContact CD1-CD2 3.94Å; F85-L135 HydrophobicContact CD2-CD1 3.84Å; F85-L135 HydrophobicContact CD2-CD2 4.32Å; F85-L135 HydrophobicContact CE2-CD1 4.17Å; F85-L135 HydrophobicContact CG-CD1 4.08Å; F85-L135 HydrophobicContact CG-CD2 3.71Å; Q128-L135 HydrophobicContact CB-CD1 3.97Å; H131-L135 HydrophobicContact CB-CD1 4.4Å; H131-L135 HydrophobicContact CB-CG 4.4Å; H131-L135 WeakPolarHBondContact O-CG 3.34Å; H131-L135 PolarHBondContact O-N 3.31Å; R132-L135 PolarHBondContact O-N 3.07Å; L135-Y139 CarbonylContact O-C 3.49Å; L135-Y139 WeakPolarHBondContact O-CA 3.23Å; L135-Y139 VanDerWaalsContact O-CB 3.26Å; L135-Y139 WeakPolarHBondContact O-CB 3.44Å; L135-Y139 PolarHBondContact O-N 3.08Å; L135-Y139 VanDerWaalsContact O-N 3.12Å; L135-G140 PolarHBondContact O-N 3.46Å; L135-L141 HydrophobicContact CB-CB 3.99Å; L135-L141 HydrophobicContact CB-CD2 3.84Å; L135-L141 HydrophobicContact CD1-CD2 4.04Å; L135-L141 PolarHBondContact O-N 3.04Å
136	D	93.1	Very high	94.8	Very high	68 Å²	68	64.2 Å²	64.2	36%	0.364	30%	0.299	S	S	.	.	I	π-helix	trans	-66.3	-44	176.6	-67.6	-6.5	0	0	0	110.5	R132 G140	R132-D136 WeakPolarHBondContact CD-OD1 3.42Å; R132-D136 VanDerWaalsContact CD-OD2 3.28Å; R132-D136 WeakPolarHBondContact CD-OD2 3.38Å; R132-D136 WeakPolarHBondContact CG-OD2 3.41Å; R132-D136 WeakPolarHBondContact O-CB 3.47Å; R132-D136 VanDerWaalsContact O-CG 3.22Å; R132-D136 PolarHBondContact O-N 3.31Å; D136-G140 WeakPolarHBondContact O-CA 3.41Å
137	N	92.8	Very high	94.8	Very high	122 Å²	122	58.7 Å²	58.7	65%	0.652	28%	0.275	S	S	*	.	I	π-helix	trans	-80	-33.7	-175.2	-69.5	-18.3	0	0	0	114.8	Q133 V134	Q133-N137 WeakPolarHBondContact O-CB 3.46Å; Q133-N137 VanDerWaalsContact O-CG 3.26Å; Q133-N137 PolarHBondContact O-N 2.96Å; Q133-N137 PolarHBondContact O-ND2 3.23Å; V134-N137 PolarHBondContact O-N 2.87Å
138	R	91.8	Very high	94.6	Very high	104 Å²	104	59.4 Å²	59.4	39%	0.392	28%	0.279	S	S	.	.	I	π-helix	trans	-110	-40.1	-172.1	-56.9	-58.1	-174.8	-136.2	-3.6	113.7	E78 V82 V134	E78-R138 IonicContact OE2-CZ 2.74Å; E78-R138 IonicContact OE2-NE 2.67Å; E78-R138 PolarHBondContact OE2-NE 3.25Å; E78-R138 IonicContact OE2-NH2 3.14Å; E78-R138 PolarHBondContact OE2-NH2 3.03Å; E78-R138 VanDerWaalsContact OE2-NH2 3.08Å; V82-R138 HydrophobicContact CG2-CB 3.88Å; V134-R138 HydrophobicContact CG1-CG 4.31Å; V134-R138 WeakPolarHBondContact O-CB 3.26Å; V134-R138 PolarHBondContact O-N 3.43Å
139	Y	92.3	Very high	94.7	Very high	30 Å²	30	59.7 Å²	59.7	12%	0.118	28%	0.281	C	S	.	.	I	π-helix	trans	-86.2	-22	176.8	177.1	-97.7	0	0	0	112	I64 V82 F85 C86 L135 L141	I64-Y139 HydrophobicContact CD1-CE2 4.25Å; I64-Y139 HydrophobicContact CG2-CD2 4.46Å; V82-Y139 HydrophobicContact CG1-CD2 3.73Å; V82-Y139 HydrophobicContact CG1-CG 4.28Å; F85-Y139 HydrophobicContact CD1-CD1 4.3Å; F85-Y139 HydrophobicContact CD1-CD2 4.36Å; F85-Y139 HydrophobicContact CD1-CE1 4.22Å; F85-Y139 HydrophobicContact CD1-CE2 4.27Å; F85-Y139 HydrophobicContact CD1-CG 4.36Å; F85-Y139 AromaticContact CE1-CD1 3.97Å; F85-Y139 HydrophobicContact CE1-CD1 3.97Å; F85-Y139 AromaticContact CE1-CE1 3.58Å; F85-Y139 HydrophobicContact CE1-CE1 3.58Å; F85-Y139 HydrophobicContact CE1-CE2 4.3Å; F85-Y139 HydrophobicContact CE1-CG 4.47Å; F85-Y139 AromaticContact CE1-CZ 3.76Å; C86-Y139 VanDerWaalsContact SG-CE2 3.58Å; L135-Y139 CarbonylContact O-C 3.49Å; L135-Y139 WeakPolarHBondContact O-CA 3.23Å; L135-Y139 VanDerWaalsContact O-CB 3.26Å; L135-Y139 WeakPolarHBondContact O-CB 3.44Å; L135-Y139 PolarHBondContact O-N 3.08Å; L135-Y139 VanDerWaalsContact O-N 3.12Å; Y139-L141 HydrophobicContact CD1-CB 3.88Å; Y139-L141 HydrophobicContact CD1-CD1 4.18Å; Y139-L141 HydrophobicContact CE1-CD1 4.01Å
140	G	93.3	Very high	94.8	Very high	32 Å²	32	55.3 Å²	55.3	33%	0.33	26%	0.26	S	S	.	.			trans	74.5	32.3	-174.1	0	0	0	0	0	112.7	L135 D136 K142	L135-G140 PolarHBondContact O-N 3.46Å; D136-G140 WeakPolarHBondContact O-CA 3.41Å; G140-K142 WeakPolarHBondContact O-CG 3.37Å; G140-K142 PolarHBondContact O-N 3.26Å; G140-K142 VanDerWaalsContact O-N 3.13Å
141	L	94.3	Very high	94.8	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.063	23%	0.23	C	C	.	.			trans	-56.2	116.6	-176.2	-175.1	62.9	0	0	0	111.3	F85 Q128 R132 L135 Y139 Q145 I146	F85-L141 HydrophobicContact CE1-CD1 4.24Å; F85-L141 HydrophobicContact CZ-CD1 3.95Å; Q128-L141 HydrophobicContact CB-CD2 4.48Å; R132-L141 VanDerWaalsContact NH1-CD2 3.28Å; L135-L141 HydrophobicContact CB-CB 3.99Å; L135-L141 HydrophobicContact CB-CD2 3.84Å; L135-L141 HydrophobicContact CD1-CD2 4.04Å; L135-L141 PolarHBondContact O-N 3.04Å; Y139-L141 HydrophobicContact CD1-CB 3.88Å; Y139-L141 HydrophobicContact CD1-CD1 4.18Å; Y139-L141 HydrophobicContact CE1-CD1 4.01Å; L141-Q145 HydrophobicContact CD1-CB 3.92Å; L141-I146 HydrophobicContact CD2-CG1 4.39Å; L141-I146 HydrophobicContact CG-CG1 4.41Å
142	K	93.8	Very high	94.9	Very high	96 Å²	96	48.9 Å²	48.9	42%	0.417	23%	0.23	S	C	.	.			trans	-90.7	154	179.5	-56.6	-59.7	-176.9	177.1	0	111.5	G140 W144 Q145 I146	G140-K142 WeakPolarHBondContact O-CG 3.37Å; G140-K142 PolarHBondContact O-N 3.26Å; G140-K142 VanDerWaalsContact O-N 3.13Å; K142-W144 VanDerWaalsContact C-N 3.27Å; K142-W144 HydrophobicContact CB-CD2 4.42Å; K142-W144 HydrophobicContact CB-CG 4.22Å; K142-W144 PolarHBondContact O-N 3.42Å; K142-Q145 HydrophobicContact CB-CG 4.33Å; K142-Q145 WeakPolarHBondContact O-CB 3.41Å; K142-Q145 PolarHBondContact O-N 3.1Å; K142-Q145 VanDerWaalsContact O-N 3.08Å; K142-I146 PolarHBondContact O-N 3.45Å
143	R	93.8	Very high	95	Very high	112 Å²	112	46.4 Å²	46.4	42%	0.423	22%	0.221	S	C	.	.	H	α-helix	trans	-57.6	-39.4	177.6	-68.7	-176.6	69.8	90.8	-3.3	112.8	Q145 I146 G147 R183 Y185	R143-Q145 VanDerWaalsContact C-N 3.29Å; R143-Q145 PolarHBondContact O-N 3.3Å; R143-I146 WeakPolarHBondContact O-CB 3.43Å; R143-I146 PolarHBondContact O-N 3.05Å; R143-G147 PolarHBondContact O-N 3.44Å; R143-G147 VanDerWaalsContact O-N 3.08Å; R143-R183 PolarHBondContact NH2-O 3.47Å; R143-Y185 CarbonylContact C-O 3.41Å; R143-Y185 HydrophobicContact CB-CD1 4.35Å; R143-Y185 VanDerWaalsContact O-CD1 3.31Å; R143-Y185 WeakPolarHBondContact O-CD1 3.21Å
144	W	93.9	Very high	95.2	Very high	30 Å²	30	39 Å²	39	11%	0.114	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-30.8	179.8	63.7	-103.5	0	0	0	112.1	K142 I146 G147 E148 Y185 Y186 V189 E192 L197	K142-W144 VanDerWaalsContact C-N 3.27Å; K142-W144 HydrophobicContact CB-CD2 4.42Å; K142-W144 HydrophobicContact CB-CG 4.22Å; K142-W144 PolarHBondContact O-N 3.42Å; W144-I146 VanDerWaalsContact C-N 3.35Å; W144-G147 CarbonylContact O-C 3.52Å; W144-G147 WeakPolarHBondContact O-CA 3.48Å; W144-G147 PolarHBondContact O-N 3.12Å; W144-G147 VanDerWaalsContact O-N 3.15Å; W144-E148 HydrophobicContact CE3-CG 4.23Å; W144-E148 WeakPolarHBondContact CZ3-OE1 3.49Å; W144-E148 WeakPolarHBondContact O-CG 3.45Å; W144-E148 PolarHBondContact O-N 3.08Å; W144-Y185 VanDerWaalsContact CA-O 3.22Å; W144-Y185 WeakPolarHBondContact CA-O 3.4Å; W144-Y185 PolarHBondContact N-O 3.34Å; W144-Y186 HydrophobicContact CB-CD1 3.96Å; W144-Y186 HydrophobicContact CB-CE1 4.36Å; W144-V189 HydrophobicContact CB-CG2 3.69Å; W144-V189 HydrophobicContact CG-CG2 4.21Å; W144-E192 PolarHBondContact NE1-OE1 3.31Å; W144-E192 VanDerWaalsContact NE1-OE1 3.15Å; W144-L197 HydrophobicContact CD2-CD1 4.5Å; W144-L197 HydrophobicContact CE3-CD2 4.07Å; W144-L197 HydrophobicContact CH2-CD1 4.34Å; W144-L197 HydrophobicContact CH2-CD2 3.81Å; W144-L197 HydrophobicContact CZ2-CD1 4.03Å; W144-L197 HydrophobicContact CZ2-CD2 4.33Å; W144-L197 HydrophobicContact CZ3-CD2 3.66Å
145	Q	94.9	Very high	95.3	Very high	39 Å²	39	38.3 Å²	38.3	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-36.9	174.7	-66.8	175.2	-61.3	0	0	111.5	L141 K142 R143 G147 E148 I149	L141-Q145 HydrophobicContact CD1-CB 3.92Å; K142-Q145 HydrophobicContact CB-CG 4.33Å; K142-Q145 WeakPolarHBondContact O-CB 3.41Å; K142-Q145 PolarHBondContact O-N 3.1Å; K142-Q145 VanDerWaalsContact O-N 3.08Å; R143-Q145 VanDerWaalsContact C-N 3.29Å; R143-Q145 PolarHBondContact O-N 3.3Å; Q145-G147 VanDerWaalsContact C-N 3.31Å; Q145-E148 WeakPolarHBondContact O-CB 3.37Å; Q145-E148 PolarHBondContact O-N 3Å; Q145-I149 WeakPolarHBondContact O-CG1 3.49Å; Q145-I149 PolarHBondContact O-N 3.42Å; Q145-I149 VanDerWaalsContact O-N 3.09Å
146	I	96.1	Very high	95.4	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.046	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-43.6	171.3	-48.9	163.3	0	0	0	109.9	W125 R132 L141 K142 R143 W144 E148 I149 A150 Y185	W125-I146 HydrophobicContact CH2-CG2 4.16Å; W125-I146 HydrophobicContact CZ3-CG2 3.86Å; R132-I146 VanDerWaalsContact NH1-CG1 3.26Å; L141-I146 HydrophobicContact CD2-CG1 4.39Å; L141-I146 HydrophobicContact CG-CG1 4.41Å; K142-I146 PolarHBondContact O-N 3.45Å; R143-I146 WeakPolarHBondContact O-CB 3.43Å; R143-I146 PolarHBondContact O-N 3.05Å; W144-I146 VanDerWaalsContact C-N 3.35Å; I146-E148 VanDerWaalsContact C-N 3.29Å; I146-E148 PolarHBondContact O-N 3.4Å; I146-I149 PolarHBondContact O-N 3.17Å; I146-A150 PolarHBondContact O-N 2.86Å; I146-Y185 HydrophobicContact CB-CD1 4.08Å; I146-Y185 HydrophobicContact CB-CE1 3.9Å; I146-Y185 HydrophobicContact CD1-CD1 4.43Å; I146-Y185 HydrophobicContact CD1-CE1 4.02Å; I146-Y185 HydrophobicContact CG2-CD1 4.33Å; I146-Y185 HydrophobicContact CG2-CE1 3.71Å; I146-Y185 HydrophobicContact CG2-CE2 4.46Å
147	G	96.4	Very high	95.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.2	-40.5	174.1	0	0	0	0	0	112.5	R143 W144 Q145 A150 S151	R143-G147 PolarHBondContact O-N 3.44Å; R143-G147 VanDerWaalsContact O-N 3.08Å; W144-G147 CarbonylContact O-C 3.52Å; W144-G147 WeakPolarHBondContact O-CA 3.48Å; W144-G147 PolarHBondContact O-N 3.12Å; W144-G147 VanDerWaalsContact O-N 3.15Å; Q145-G147 VanDerWaalsContact C-N 3.31Å; G147-A150 PolarHBondContact O-N 2.81Å; G147-S151 VanDerWaalsContact O-CB 3.27Å; G147-S151 WeakPolarHBondContact O-CB 3.49Å; G147-S151 PolarHBondContact O-N 3.31Å
148	E	95.2	Very high	95.8	Very high	45 Å²	45	33.4 Å²	33.4	21%	0.21	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-43.8	175.1	-72.2	-172.6	-179.2	0	0	112.8	W144 Q145 I146 A150 S151 K152 Y186 K200	W144-E148 HydrophobicContact CE3-CG 4.23Å; W144-E148 WeakPolarHBondContact CZ3-OE1 3.49Å; W144-E148 WeakPolarHBondContact O-CG 3.45Å; W144-E148 PolarHBondContact O-N 3.08Å; Q145-E148 WeakPolarHBondContact O-CB 3.37Å; Q145-E148 PolarHBondContact O-N 3Å; I146-E148 VanDerWaalsContact C-N 3.29Å; I146-E148 PolarHBondContact O-N 3.4Å; E148-A150 VanDerWaalsContact C-N 3.35Å; E148-S151 PolarHBondContact O-N 3.5Å; E148-K152 WeakPolarHBondContact O-CB 3.44Å; E148-K152 VanDerWaalsContact O-CG 3.31Å; E148-K152 WeakPolarHBondContact O-CG 3.4Å; E148-K152 PolarHBondContact O-N 3.41Å; E148-Y186 HydrophobicContact CG-CE1 4.34Å; E148-K200 VanDerWaalsContact CD-NZ 3.31Å; E148-K200 HydrophobicContact CG-CD 4.43Å; E148-K200 WeakPolarHBondContact OE1-CD 3.41Å; E148-K200 WeakPolarHBondContact OE1-CE 3.38Å; E148-K200 IonicContact OE1-NZ 3.42Å; E148-K200 PolarHBondContact OE1-NZ 3.43Å; E148-K200 IonicContact OE2-NZ 2.69Å; E148-K200 PolarHBondContact OE2-NZ 2.94Å
149	I	97.3	Very high	96	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-47.7	175.6	-62.4	167.3	0	0	0	109.6	F85 L89 Y121 L124 W125 Q145 I146 S151 K152 I153	F85-I149 HydrophobicContact CE2-CD1 4.36Å; F85-I149 HydrophobicContact CZ-CD1 4.27Å; L89-I149 HydrophobicContact CD1-CG1 4.38Å; Y121-I149 HydrophobicContact CD1-CG2 4.49Å; L124-I149 HydrophobicContact CD2-CD1 4.25Å; L124-I149 HydrophobicContact CD2-CG1 4.24Å; L124-I149 HydrophobicContact CD2-CG2 4.1Å; L124-I149 HydrophobicContact CG-CD1 4.27Å; L124-I149 HydrophobicContact CG-CG2 4.32Å; W125-I149 HydrophobicContact CE3-CB 4.5Å; W125-I149 HydrophobicContact CE3-CG2 3.86Å; W125-I149 HydrophobicContact CZ3-CG2 4.44Å; Q145-I149 WeakPolarHBondContact O-CG1 3.49Å; Q145-I149 PolarHBondContact O-N 3.42Å; Q145-I149 VanDerWaalsContact O-N 3.09Å; I146-I149 PolarHBondContact O-N 3.17Å; I149-S151 PolarHBondContact O-N 2.92Å; I149-K152 PolarHBondContact O-N 3.25Å; I149-I153 HydrophobicContact CG2-CD1 4.04Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 2.92Å
150	A	97.8	Very high	96.1	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-42.5	177	0	0	0	0	0	112.2	W125 I146 G147 E148 K152 I153 G154 F176 I180	W125-A150 HydrophobicContact CH2-CB 3.97Å; W125-A150 HydrophobicContact CZ3-CB 3.85Å; I146-A150 PolarHBondContact O-N 2.86Å; G147-A150 PolarHBondContact O-N 2.81Å; E148-A150 VanDerWaalsContact C-N 3.35Å; A150-K152 VanDerWaalsContact C-N 3.31Å; A150-K152 PolarHBondContact O-N 2.94Å; A150-I153 PolarHBondContact O-N 2.94Å; A150-G154 PolarHBondContact O-N 2.99Å; A150-F176 HydrophobicContact CB-CD1 4.11Å; A150-I180 HydrophobicContact CB-CD1 3.78Å; A150-I180 HydrophobicContact CB-CG1 3.72Å
151	S	97.7	Very high	96.2	Very high	7 Å²	7	30 Å²	30	5%	0.049	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-38.1	178.6	179.5	0	0	0	0	111.1	G147 E148 I149 G154 Q155	G147-S151 VanDerWaalsContact O-CB 3.27Å; G147-S151 WeakPolarHBondContact O-CB 3.49Å; G147-S151 PolarHBondContact O-N 3.31Å; E148-S151 PolarHBondContact O-N 3.5Å; I149-S151 PolarHBondContact O-N 2.92Å; S151-G154 PolarHBondContact O-N 2.96Å; S151-Q155 WeakPolarHBondContact O-CB 3.46Å; S151-Q155 PolarHBondContact O-N 3.23Å
152	K	97.6	Very high	96.1	Very high	65 Å²	65	32 Å²	32	28%	0.283	14%	0.139	S	C	.	.	H	α-helix	trans	-68.6	-37	175.5	-72.6	-72.1	165.5	-165.9	0	113.2	F96 Y121 E148 I149 A150 Q155 L156	F96-K152 HydrophobicContact CD1-CD 4.09Å; F96-K152 HydrophobicContact CD2-CD 4.23Å; F96-K152 HydrophobicContact CE1-CD 3.93Å; F96-K152 HydrophobicContact CE2-CD 4.06Å; F96-K152 WeakPolarHBondContact CE2-O 3.49Å; F96-K152 HydrophobicContact CG-CD 4.25Å; F96-K152 HydrophobicContact CZ-CD 3.93Å; Y121-K152 HydrophobicContact CE1-CB 3.62Å; E148-K152 WeakPolarHBondContact O-CB 3.44Å; E148-K152 VanDerWaalsContact O-CG 3.31Å; E148-K152 WeakPolarHBondContact O-CG 3.4Å; E148-K152 PolarHBondContact O-N 3.41Å; I149-K152 PolarHBondContact O-N 3.25Å; A150-K152 VanDerWaalsContact C-N 3.31Å; A150-K152 PolarHBondContact O-N 2.94Å; K152-Q155 PolarHBondContact O-N 3.38Å; K152-L156 WeakPolarHBondContact O-CB 3.18Å; K152-L156 PolarHBondContact O-N 3.5Å
153	I	98.3	Very high	95.9	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-45.8	173.2	-64.1	165.3	0	0	0	110.3	Y121 W125 I149 A150 Q155 L156 Y157 F176	Y121-I153 HydrophobicContact CD1-CD1 4.37Å; Y121-I153 HydrophobicContact CD1-CG1 3.69Å; Y121-I153 HydrophobicContact CG-CG1 4.13Å; W125-I153 HydrophobicContact CB-CD1 3.9Å; W125-I153 HydrophobicContact CD2-CD1 4.1Å; W125-I153 HydrophobicContact CE3-CD1 4.05Å; W125-I153 HydrophobicContact CG-CD1 4.06Å; I149-I153 HydrophobicContact CG2-CD1 4.04Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 2.92Å; A150-I153 PolarHBondContact O-N 2.94Å; I153-Q155 VanDerWaalsContact C-N 3.29Å; I153-Q155 PolarHBondContact O-N 2.95Å; I153-L156 WeakPolarHBondContact O-CB 3.39Å; I153-L156 PolarHBondContact O-N 3.47Å; I153-L156 VanDerWaalsContact O-N 3.09Å; I153-Y157 HydrophobicContact CG2-CD2 3.8Å; I153-Y157 HydrophobicContact CG2-CE2 3.6Å; I153-Y157 VanDerWaalsContact O-CD2 3.31Å; I153-Y157 WeakPolarHBondContact O-CD2 3.46Å; I153-Y157 PolarHBondContact O-N 2.85Å; I153-F176 HydrophobicContact CB-CD1 4.04Å; I153-F176 HydrophobicContact CB-CE1 3.92Å; I153-F176 HydrophobicContact CB-CG 4.4Å; I153-F176 HydrophobicContact CB-CZ 4.2Å; I153-F176 HydrophobicContact CD1-CE1 3.9Å; I153-F176 HydrophobicContact CD1-CZ 4.34Å; I153-F176 HydrophobicContact CG2-CD1 4Å; I153-F176 HydrophobicContact CG2-CD2 3.87Å; I153-F176 HydrophobicContact CG2-CE1 3.65Å; I153-F176 HydrophobicContact CG2-CE2 3.52Å; I153-F176 HydrophobicContact CG2-CG 4.11Å; I153-F176 HydrophobicContact CG2-CZ 3.4Å; I153-F176 VanDerWaalsContact CG2-CZ 3.4Å
154	G	98.3	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.8	-41.7	173.4	0	0	0	0	0	112.4	A150 S151 L156 Y157 Y158 A173	A150-G154 PolarHBondContact O-N 2.99Å; S151-G154 PolarHBondContact O-N 2.96Å; G154-L156 VanDerWaalsContact C-N 3.34Å; G154-L156 PolarHBondContact O-N 2.96Å; G154-Y157 PolarHBondContact O-N 3.19Å; G154-Y158 PolarHBondContact O-N 3.24Å; G154-A173 VanDerWaalsContact O-CB 3.31Å; G154-A173 WeakPolarHBondContact O-CB 3.44Å
155	Q	97.5	Very high	95.7	Very high	16 Å²	16	23.2 Å²	23.2	8%	0.075	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-38	175.3	-167.5	-179.3	6.8	0	0	112.1	F96 S151 K152 I153 Y158 H159 Y177	F96-Q155 HydrophobicContact CE2-CB 4.37Å; F96-Q155 HydrophobicContact CZ-CB 3.98Å; F96-Q155 VanDerWaalsContact CZ-CD 3.4Å; F96-Q155 HydrophobicContact CZ-CG 3.74Å; F96-Q155 VanDerWaalsContact CZ-OE1 3.23Å; S151-Q155 WeakPolarHBondContact O-CB 3.46Å; S151-Q155 PolarHBondContact O-N 3.23Å; K152-Q155 PolarHBondContact O-N 3.38Å; I153-Q155 VanDerWaalsContact C-N 3.29Å; I153-Q155 PolarHBondContact O-N 2.95Å; Q155-Y158 PolarHBondContact O-N 3.37Å; Q155-H159 PolarHBondContact NE2-CE1 3.22Å; Q155-H159 PolarHBondContact NE2-NE2 2.94Å; Q155-H159 VanDerWaalsContact NE2-NE2 3.19Å; Q155-H159 PolarHBondContact O-CD2 3.28Å; Q155-H159 PolarHBondContact O-N 3.12Å; Q155-Y177 WeakPolarHBondContact CA-OH 3.27Å; Q155-Y177 PolarHBondContact N-OH 3.38Å
156	L	97.3	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.5	-44.3	177.7	-172.6	62.4	0	0	0	111.6	F96 L99 F114 T117 F118 Y121 K152 I153 G154 H159 Y160	F96-L156 HydrophobicContact CE2-CB 4.23Å; F96-L156 HydrophobicContact CE2-CD1 4.47Å; L99-L156 HydrophobicContact CD1-CD1 3.43Å; L99-L156 VanDerWaalsContact CD1-CD1 3.43Å; F114-L156 HydrophobicContact CD1-CD1 3.74Å; F114-L156 HydrophobicContact CE1-CD1 3.82Å; T117-L156 HydrophobicContact CG2-CD1 3.95Å; T117-L156 HydrophobicContact CG2-CD2 3.97Å; F118-L156 HydrophobicContact CB-CD2 4.36Å; F118-L156 HydrophobicContact CD1-CD2 3.41Å; F118-L156 VanDerWaalsContact CD1-CD2 3.41Å; F118-L156 HydrophobicContact CD1-CG 4.01Å; F118-L156 HydrophobicContact CD2-CD2 4.07Å; F118-L156 HydrophobicContact CD2-CG 4.3Å; F118-L156 HydrophobicContact CE1-CB 4.26Å; F118-L156 HydrophobicContact CE1-CD2 3.58Å; F118-L156 HydrophobicContact CE1-CG 3.64Å; F118-L156 HydrophobicContact CE2-CD2 4.22Å; F118-L156 HydrophobicContact CE2-CG 3.97Å; F118-L156 HydrophobicContact CG-CD2 3.67Å; F118-L156 HydrophobicContact CG-CG 4.32Å; F118-L156 HydrophobicContact CZ-CB 4.42Å; F118-L156 HydrophobicContact CZ-CD2 4Å; F118-L156 HydrophobicContact CZ-CG 3.63Å; Y121-L156 HydrophobicContact CD2-CD2 4.23Å; K152-L156 WeakPolarHBondContact O-CB 3.18Å; K152-L156 PolarHBondContact O-N 3.5Å; I153-L156 WeakPolarHBondContact O-CB 3.39Å; I153-L156 PolarHBondContact O-N 3.47Å; I153-L156 VanDerWaalsContact O-N 3.09Å; G154-L156 VanDerWaalsContact C-N 3.34Å; G154-L156 PolarHBondContact O-N 2.96Å; L156-H159 PolarHBondContact O-N 3.45Å; L156-Y160 WeakPolarHBondContact O-CB 3.21Å; L156-Y160 PolarHBondContact O-N 2.93Å
157	Y	98.1	Very high	95.3	Very high	47 Å²	47	23.4 Å²	23.4	18%	0.184	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-43.4	173.4	-82.7	-64.7	0	0	0	112.4	F118 I153 G154 Y160 Y161 Y169 E172 F176	F118-Y157 AromaticContact CE1-CD1 3.8Å; F118-Y157 HydrophobicContact CE1-CD1 3.8Å; F118-Y157 HydrophobicContact CE1-CD2 4.21Å; F118-Y157 AromaticContact CE1-CE1 3.68Å; F118-Y157 HydrophobicContact CE1-CE1 3.68Å; F118-Y157 HydrophobicContact CE1-CE2 4.08Å; F118-Y157 HydrophobicContact CE1-CG 4.06Å; F118-Y157 AromaticContact CE1-CZ 3.84Å; F118-Y157 AromaticContact CZ-CD1 3.91Å; F118-Y157 HydrophobicContact CZ-CD1 3.91Å; F118-Y157 HydrophobicContact CZ-CE1 4.1Å; F118-Y157 HydrophobicContact CZ-CG 4.35Å; I153-Y157 HydrophobicContact CG2-CD2 3.8Å; I153-Y157 HydrophobicContact CG2-CE2 3.6Å; I153-Y157 VanDerWaalsContact O-CD2 3.31Å; I153-Y157 WeakPolarHBondContact O-CD2 3.46Å; I153-Y157 PolarHBondContact O-N 2.85Å; G154-Y157 PolarHBondContact O-N 3.19Å; Y157-Y160 PolarHBondContact O-N 3.33Å; Y157-Y161 PolarHBondContact O-N 2.77Å; Y157-Y169 WeakPolarHBondContact CB-O 3.28Å; Y157-Y169 AromaticContact CD1-CD1 3.84Å; Y157-Y169 HydrophobicContact CD1-CD1 3.84Å; Y157-Y169 HydrophobicContact CE1-CD1 4.06Å; Y157-E172 HydrophobicContact CD1-CB 3.59Å; Y157-E172 HydrophobicContact CD1-CG 4.2Å; Y157-E172 HydrophobicContact CD2-CB 3.86Å; Y157-E172 HydrophobicContact CE1-CB 3.75Å; Y157-E172 HydrophobicContact CE1-CG 3.93Å; Y157-E172 HydrophobicContact CE2-CB 4.03Å; Y157-E172 HydrophobicContact CG-CB 3.65Å; Y157-F176 HydrophobicContact CD2-CD2 4.1Å; Y157-F176 HydrophobicContact CD2-CE2 4.19Å; Y157-F176 HydrophobicContact CE2-CD2 4.04Å; Y157-F176 AromaticContact CE2-CE2 3.66Å; Y157-F176 HydrophobicContact CE2-CE2 3.66Å
158	Y	97.1	Very high	95.1	Very high	39 Å²	39	25.8 Å²	25.8	15%	0.153	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-46	175.2	174.1	-113	0	0	0	112.3	G154 Q155 Y160 Y161 L162 L170 V210 V211 L214	G154-Y158 PolarHBondContact O-N 3.24Å; Q155-Y158 PolarHBondContact O-N 3.37Å; Y158-Y160 PolarHBondContact O-N 3.49Å; Y158-Y161 HydrophobicContact CD2-CD1 4.25Å; Y158-Y161 HydrophobicContact CE2-CD1 4.26Å; Y158-Y161 WeakPolarHBondContact O-CB 3.31Å; Y158-Y161 PolarHBondContact O-N 3.4Å; Y158-L162 HydrophobicContact CD1-CD1 4.34Å; Y158-L162 HydrophobicContact CE1-CD1 3.7Å; Y158-L162 HydrophobicContact CE1-CG 4.31Å; Y158-L162 HydrophobicContact CE2-CD1 4.46Å; Y158-L162 HydrophobicContact CE2-CD2 4.21Å; Y158-L162 HydrophobicContact CE2-CG 4.23Å; Y158-L162 PolarHBondContact O-N 3.17Å; Y158-L170 HydrophobicContact CD2-CD1 3.95Å; Y158-L170 HydrophobicContact CE2-CD1 4.45Å; Y158-V210 HydrophobicContact CE2-CG1 4.17Å; Y158-V211 HydrophobicContact CD2-CG2 4.04Å; Y158-V211 HydrophobicContact CG-CG2 4.45Å; Y158-L214 HydrophobicContact CE2-CD1 3.77Å
159	H	95.2	Very high	95.1	Very high	52 Å²	52	27 Å²	27	24%	0.241	13%	0.128	C	C	.	.	H	α-helix	trans	-61.4	-35.4	175.3	-72.1	-171.8	0	0	0	111.9	F114 Q155 L156 L162 R163	F114-H159 HydrophobicContact CE1-CB 3.95Å; F114-H159 HydrophobicContact CZ-CB 4.02Å; Q155-H159 PolarHBondContact NE2-CE1 3.22Å; Q155-H159 PolarHBondContact NE2-NE2 2.94Å; Q155-H159 VanDerWaalsContact NE2-NE2 3.19Å; Q155-H159 PolarHBondContact O-CD2 3.28Å; Q155-H159 PolarHBondContact O-N 3.12Å; L156-H159 PolarHBondContact O-N 3.45Å; H159-L162 PolarHBondContact O-N 3Å; H159-R163 WeakPolarHBondContact O-CG 3.41Å; H159-R163 PolarHBondContact O-N 3.15Å
160	Y	94.6	Very high	95	Very high	40 Å²	40	26.7 Å²	26.7	16%	0.157	13%	0.127	C	C	.	.	H	α-helix	trans	-71.1	-36.6	176.7	-157.6	-105	0	0	0	112	W110 F114 F118 L156 Y157 Y158 R163 T164 Y169	W110-Y160 HydrophobicContact CE3-CE2 4.32Å; W110-Y160 HydrophobicContact CZ3-CD2 4.06Å; W110-Y160 AromaticContact CZ3-CE2 3.56Å; W110-Y160 HydrophobicContact CZ3-CE2 3.56Å; F114-Y160 HydrophobicContact CB-CD2 3.91Å; F114-Y160 HydrophobicContact CB-CE2 3.82Å; F114-Y160 AromaticContact CD1-CD2 3.46Å; F114-Y160 HydrophobicContact CD1-CD2 3.46Å; F114-Y160 VanDerWaalsContact CD1-CD2 3.46Å; F114-Y160 HydrophobicContact CD1-CE2 4.25Å; F114-Y160 HydrophobicContact CD1-CG 4.33Å; F114-Y160 HydrophobicContact CD2-CD2 4.44Å; F114-Y160 AromaticContact CE1-CD2 3.97Å; F114-Y160 HydrophobicContact CE1-CD2 3.97Å; F114-Y160 AromaticContact CG-CD2 3.7Å; F114-Y160 HydrophobicContact CG-CD2 3.7Å; F114-Y160 HydrophobicContact CG-CE2 4.06Å; F118-Y160 AromaticContact CE2-CD2 3.93Å; F118-Y160 HydrophobicContact CE2-CD2 3.93Å; F118-Y160 HydrophobicContact CE2-CE2 4.43Å; F118-Y160 AromaticContact CE2-CG 3.98Å; F118-Y160 HydrophobicContact CE2-CG 3.98Å; F118-Y160 HydrophobicContact CZ-CG 4.34Å; L156-Y160 WeakPolarHBondContact O-CB 3.21Å; L156-Y160 PolarHBondContact O-N 2.93Å; Y157-Y160 PolarHBondContact O-N 3.33Å; Y158-Y160 PolarHBondContact O-N 3.49Å; Y160-R163 PolarHBondContact O-N 3.22Å; Y160-R163 VanDerWaalsContact O-N 3.11Å; Y160-T164 HydrophobicContact CD1-CG2 3.98Å; Y160-T164 HydrophobicContact CE1-CG2 3.7Å; Y160-T164 WeakPolarHBondContact O-CB 3.19Å; Y160-T164 WeakPolarHBondContact O-CG2 3.23Å; Y160-T164 PolarHBondContact O-N 3.39Å; Y160-T164 VanDerWaalsContact O-N 3.08Å; Y160-T164 PolarHBondContact O-OG1 2.85Å; Y160-Y169 AromaticContact CD1-CD1 3.91Å; Y160-Y169 HydrophobicContact CD1-CD1 3.91Å; Y160-Y169 AromaticContact CD1-CD2 3.53Å; Y160-Y169 HydrophobicContact CD1-CD2 3.53Å; Y160-Y169 AromaticContact CD1-CE1 3.82Å; Y160-Y169 HydrophobicContact CD1-CE1 3.82Å; Y160-Y169 AromaticContact CD1-CE2 3.44Å; Y160-Y169 HydrophobicContact CD1-CE2 3.44Å; Y160-Y169 VanDerWaalsContact CD1-CE2 3.44Å; Y160-Y169 AromaticContact CD1-CG 3.76Å; Y160-Y169 HydrophobicContact CD1-CG 3.76Å; Y160-Y169 AromaticContact CD1-CZ 3.59Å; Y160-Y169 HydrophobicContact CE1-CD1 4.48Å; Y160-Y169 HydrophobicContact CE1-CD2 4.01Å; Y160-Y169 AromaticContact CE1-CE1 3.94Å; Y160-Y169 HydrophobicContact CE1-CE1 3.94Å; Y160-Y169 AromaticContact CE1-CE2 3.41Å; Y160-Y169 HydrophobicContact CE1-CE2 3.41Å; Y160-Y169 VanDerWaalsContact CE1-CE2 3.41Å; Y160-Y169 AromaticContact CE1-CZ 3.36Å
161	Y	94.3	Very high	94.9	Very high	3 Å²	3	29 Å²	29	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-57.4	-46.7	168.1	161.3	-102.9	0	0	0	111.2	Y157 Y158 R163 T164 S165 E166 T167 L170 L214 E328	Y157-Y161 PolarHBondContact O-N 2.77Å; Y158-Y161 HydrophobicContact CD2-CD1 4.25Å; Y158-Y161 HydrophobicContact CE2-CD1 4.26Å; Y158-Y161 WeakPolarHBondContact O-CB 3.31Å; Y158-Y161 PolarHBondContact O-N 3.4Å; Y161-R163 PolarHBondContact O-N 2.81Å; Y161-T164 PolarHBondContact O-N 3.34Å; Y161-T164 VanDerWaalsContact O-N 3.08Å; Y161-S165 WeakPolarHBondContact O-CA 3.33Å; Y161-S165 PolarHBondContact O-N 3.02Å; Y161-E166 WeakPolarHBondContact CD2-O 3.39Å; Y161-T167 HydrophobicContact CE2-CG2 4.48Å; Y161-L170 HydrophobicContact CD1-CB 4.47Å; Y161-L170 HydrophobicContact CD1-CD1 4.02Å; Y161-L170 HydrophobicContact CD2-CB 3.98Å; Y161-L170 HydrophobicContact CE1-CD1 4.33Å; Y161-L170 HydrophobicContact CE1-CD2 4.3Å; Y161-L170 HydrophobicContact CE2-CB 4.43Å; Y161-L170 HydrophobicContact CE2-CD2 4.29Å; Y161-L170 HydrophobicContact CG-CB 3.99Å; Y161-L170 HydrophobicContact CG-CD1 4.34Å; Y161-L214 HydrophobicContact CE1-CD1 3.98Å; Y161-E328 PolarHBondContact OH-OE1 3.34Å
162	L	92.6	Very high	94.8	Very high	53 Å²	53	32.7 Å²	32.7	28%	0.277	16%	0.155	S	C	.	.	H	α-helix	trans	-61.2	-19.5	177.1	-66.2	178.8	0	0	0	113.9	Y158 H159 L360	Y158-L162 HydrophobicContact CD1-CD1 4.34Å; Y158-L162 HydrophobicContact CE1-CD1 3.7Å; Y158-L162 HydrophobicContact CE1-CG 4.31Å; Y158-L162 HydrophobicContact CE2-CD1 4.46Å; Y158-L162 HydrophobicContact CE2-CD2 4.21Å; Y158-L162 HydrophobicContact CE2-CG 4.23Å; Y158-L162 PolarHBondContact O-N 3.17Å; H159-L162 PolarHBondContact O-N 3Å; L162-L360 HydrophobicContact CD2-CD1 4.14Å
163	R	90.9	Very high	94.9	Very high	25 Å²	25	29.6 Å²	29.6	9%	0.094	14%	0.142	C	C	.	.	H	α-helix	trans	-95.8	-14.5	178.2	-69.3	-72.5	-169.1	-102.8	-9.1	114.4	Q104 W110 F114 H159 Y160 Y161 H357	Q104-R163 PolarHBondContact O-NH1 2.65Å; W110-R163 HydrophobicContact CD2-CB 4.35Å; W110-R163 HydrophobicContact CD2-CG 4.27Å; W110-R163 HydrophobicContact CE3-CB 4.15Å; W110-R163 HydrophobicContact CE3-CG 4.24Å; W110-R163 HydrophobicContact CH2-CB 3.61Å; W110-R163 HydrophobicContact CZ2-CB 3.81Å; W110-R163 WeakPolarHBondContact CZ2-O 3.31Å; W110-R163 HydrophobicContact CZ3-CB 3.77Å; W110-R163 HydrophobicContact CZ3-CG 4.36Å; F114-R163 HydrophobicContact CE2-CG 4.3Å; F114-R163 HydrophobicContact CZ-CG 4.29Å; H159-R163 WeakPolarHBondContact O-CG 3.41Å; H159-R163 PolarHBondContact O-N 3.15Å; Y160-R163 PolarHBondContact O-N 3.22Å; Y160-R163 VanDerWaalsContact O-N 3.11Å; Y161-R163 PolarHBondContact O-N 2.81Å; R163-H357 PolarHBondContact O-CD2 3.2Å; R163-H357 VanDerWaalsContact O-CD2 3.25Å; R163-H357 PolarHBondContact O-NE2 3.03Å
164	T	91.1	Very high	94.9	Very high	25 Å²	25	30.9 Å²	30.9	15%	0.153	15%	0.147	C	C	.	.	H	α-helix	trans	-126.3	-22.9	-171.2	55.7	0	0	0	0	112.7	W110 Y160 Y161 E166	W110-T164 HydrophobicContact CH2-CG2 3.95Å; Y160-T164 HydrophobicContact CD1-CG2 3.98Å; Y160-T164 HydrophobicContact CE1-CG2 3.7Å; Y160-T164 WeakPolarHBondContact O-CB 3.19Å; Y160-T164 WeakPolarHBondContact O-CG2 3.23Å; Y160-T164 PolarHBondContact O-N 3.39Å; Y160-T164 VanDerWaalsContact O-N 3.08Å; Y160-T164 PolarHBondContact O-OG1 2.85Å; Y161-T164 PolarHBondContact O-N 3.34Å; Y161-T164 VanDerWaalsContact O-N 3.08Å; T164-E166 PolarHBondContact O-N 2.95Å; T164-E166 PolarHBondContact OG1-N 3.41Å
165	S	92.6	Very high	94.8	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.028	17%	0.168	C	C	.	.			trans	58.8	20.6	-169.9	-59.6	0	0	0	0	114.5	Y161 N355 P356 K358	Y161-S165 WeakPolarHBondContact O-CA 3.33Å; Y161-S165 PolarHBondContact O-N 3.02Å; S165-N355 PolarHBondContact O-ND2 2.94Å; S165-P356 WeakPolarHBondContact CB-O 3.31Å; S165-K358 WeakPolarHBondContact OG-CB 3.45Å; S165-K358 PolarHBondContact OG-N 2.92Å
166	E	90.4	Very high	94.9	Very high	39 Å²	39	34.7 Å²	34.7	18%	0.182	17%	0.172	C	C	.	.			trans	-90.9	110.1	-179.5	-77.1	-61.5	139.4	0	0	111.1	Y161 T164 S168 Y169	Y161-E166 WeakPolarHBondContact CD2-O 3.39Å; T164-E166 PolarHBondContact O-N 2.95Å; T164-E166 PolarHBondContact OG1-N 3.41Å; E166-S168 PolarHBondContact O-N 3.49Å; E166-S168 VanDerWaalsContact O-N 3.1Å; E166-Y169 HydrophobicContact CB-CD2 3.62Å; E166-Y169 HydrophobicContact CB-CE2 3.8Å; E166-Y169 HydrophobicContact CG-CE2 4.4Å; E166-Y169 PolarHBondContact O-N 2.89Å; E166-Y169 VanDerWaalsContact O-N 3.16Å
167	T	90.8	Very high	94.9	Very high	14 Å²	14	34.7 Å²	34.7	9%	0.086	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-16.9	-173.8	59.6	0	0	0	0	113.2	Y161 Y169 L170 N171 E328	Y161-T167 HydrophobicContact CE2-CG2 4.48Å; T167-Y169 VanDerWaalsContact C-N 3.34Å; T167-Y169 PolarHBondContact O-N 3.05Å; T167-L170 WeakPolarHBondContact O-CB 3.28Å; T167-L170 PolarHBondContact O-N 3.3Å; T167-N171 PolarHBondContact O-N 3.08Å; T167-N171 PolarHBondContact O-ND2 2.92Å; T167-E328 WeakPolarHBondContact CG2-OE2 3.38Å
168	S	92.3	Very high	94.9	Very high	49 Å²	49	33.5 Å²	33.5	34%	0.343	17%	0.17	S	C	.	.	H	α-helix	trans	-59.1	-43.4	173.1	58.3	0	0	0	0	111.9	E166 L170 N171 E172	E166-S168 PolarHBondContact O-N 3.49Å; E166-S168 VanDerWaalsContact O-N 3.1Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.35Å; S168-N171 WeakPolarHBondContact O-CB 3.35Å; S168-N171 PolarHBondContact O-N 3.22Å; S168-E172 PolarHBondContact O-N 3.4Å
169	Y	94.8	Very high	95	Very high	72 Å²	72	32.9 Å²	32.9	28%	0.282	17%	0.173	S	C	.	.	H	α-helix	trans	-69.2	-32.1	176.4	-59.1	-62	0	0	0	112.4	Y157 Y160 E166 T167 N171 E172 A173	Y157-Y169 WeakPolarHBondContact CB-O 3.28Å; Y157-Y169 AromaticContact CD1-CD1 3.84Å; Y157-Y169 HydrophobicContact CD1-CD1 3.84Å; Y157-Y169 HydrophobicContact CE1-CD1 4.06Å; Y160-Y169 AromaticContact CD1-CD1 3.91Å; Y160-Y169 HydrophobicContact CD1-CD1 3.91Å; Y160-Y169 AromaticContact CD1-CD2 3.53Å; Y160-Y169 HydrophobicContact CD1-CD2 3.53Å; Y160-Y169 AromaticContact CD1-CE1 3.82Å; Y160-Y169 HydrophobicContact CD1-CE1 3.82Å; Y160-Y169 AromaticContact CD1-CE2 3.44Å; Y160-Y169 HydrophobicContact CD1-CE2 3.44Å; Y160-Y169 VanDerWaalsContact CD1-CE2 3.44Å; Y160-Y169 AromaticContact CD1-CG 3.76Å; Y160-Y169 HydrophobicContact CD1-CG 3.76Å; Y160-Y169 AromaticContact CD1-CZ 3.59Å; Y160-Y169 HydrophobicContact CE1-CD1 4.48Å; Y160-Y169 HydrophobicContact CE1-CD2 4.01Å; Y160-Y169 AromaticContact CE1-CE1 3.94Å; Y160-Y169 HydrophobicContact CE1-CE1 3.94Å; Y160-Y169 AromaticContact CE1-CE2 3.41Å; Y160-Y169 HydrophobicContact CE1-CE2 3.41Å; Y160-Y169 VanDerWaalsContact CE1-CE2 3.41Å; Y160-Y169 AromaticContact CE1-CZ 3.36Å; E166-Y169 HydrophobicContact CB-CD2 3.62Å; E166-Y169 HydrophobicContact CB-CE2 3.8Å; E166-Y169 HydrophobicContact CG-CE2 4.4Å; E166-Y169 PolarHBondContact O-N 2.89Å; E166-Y169 VanDerWaalsContact O-N 3.16Å; T167-Y169 VanDerWaalsContact C-N 3.34Å; T167-Y169 PolarHBondContact O-N 3.05Å; Y169-N171 VanDerWaalsContact C-N 3.32Å; Y169-E172 PolarHBondContact O-N 3.25Å; Y169-A173 PolarHBondContact O-N 3.22Å
170	L	95	Very high	95.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-37.7	173.3	-172.1	65.4	0	0	0	111.6	Y158 Y161 T167 S168 A173 F174 V211 L214 L215	Y158-L170 HydrophobicContact CD2-CD1 3.95Å; Y158-L170 HydrophobicContact CE2-CD1 4.45Å; Y161-L170 HydrophobicContact CD1-CB 4.47Å; Y161-L170 HydrophobicContact CD1-CD1 4.02Å; Y161-L170 HydrophobicContact CD2-CB 3.98Å; Y161-L170 HydrophobicContact CE1-CD1 4.33Å; Y161-L170 HydrophobicContact CE1-CD2 4.3Å; Y161-L170 HydrophobicContact CE2-CB 4.43Å; Y161-L170 HydrophobicContact CE2-CD2 4.29Å; Y161-L170 HydrophobicContact CG-CB 3.99Å; Y161-L170 HydrophobicContact CG-CD1 4.34Å; T167-L170 WeakPolarHBondContact O-CB 3.28Å; T167-L170 PolarHBondContact O-N 3.3Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.35Å; L170-A173 WeakPolarHBondContact O-CB 3.44Å; L170-A173 PolarHBondContact O-N 3.24Å; L170-F174 PolarHBondContact O-N 2.9Å; L170-V211 HydrophobicContact CD1-CB 4.26Å; L170-V211 HydrophobicContact CD1-CG1 3.91Å; L170-V211 HydrophobicContact CD1-CG2 3.94Å; L170-V211 HydrophobicContact CG-CG1 4.31Å; L170-L214 HydrophobicContact CD1-CB 4.42Å; L170-L214 HydrophobicContact CD1-CD1 4.06Å; L170-L214 HydrophobicContact CD2-CB 3.55Å; L170-L214 HydrophobicContact CD2-CD1 4.36Å; L170-L215 HydrophobicContact CB-CD2 4.3Å; L170-L215 HydrophobicContact CD2-CD2 3.61Å; L170-L215 HydrophobicContact CD2-CG 3.74Å; L170-L215 HydrophobicContact CG-CD1 4.27Å; L170-L215 HydrophobicContact CG-CD2 3.84Å; L170-L215 HydrophobicContact CG-CG 3.82Å
171	N	95.6	Very high	95.2	Very high	52 Å²	52	32 Å²	32	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-66	-38	172.7	-77.4	-73.7	0	0	0	112.4	T167 S168 Y169 F174 S175	T167-N171 PolarHBondContact O-N 3.08Å; T167-N171 PolarHBondContact O-ND2 2.92Å; S168-N171 WeakPolarHBondContact O-CB 3.35Å; S168-N171 PolarHBondContact O-N 3.22Å; Y169-N171 VanDerWaalsContact C-N 3.32Å; N171-F174 WeakPolarHBondContact O-CB 3.41Å; N171-F174 PolarHBondContact O-N 2.79Å; N171-S175 PolarHBondContact O-N 3.4Å; N171-S175 PolarHBondContact O-OG 3.41Å
172	E	97.2	Very high	95.3	Very high	84 Å²	84	38.9 Å²	38.9	39%	0.393	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-42.7	172.6	-69.3	-57.9	147.1	0	0	111.8	Y157 S168 Y169 F174 S175 F176	Y157-E172 HydrophobicContact CD1-CB 3.59Å; Y157-E172 HydrophobicContact CD1-CG 4.2Å; Y157-E172 HydrophobicContact CD2-CB 3.86Å; Y157-E172 HydrophobicContact CE1-CB 3.75Å; Y157-E172 HydrophobicContact CE1-CG 3.93Å; Y157-E172 HydrophobicContact CE2-CB 4.03Å; Y157-E172 HydrophobicContact CG-CB 3.65Å; S168-E172 PolarHBondContact O-N 3.4Å; Y169-E172 PolarHBondContact O-N 3.25Å; E172-F174 VanDerWaalsContact C-N 3.31Å; E172-F174 PolarHBondContact O-N 3.45Å; E172-S175 WeakPolarHBondContact O-CB 3.42Å; E172-S175 PolarHBondContact O-N 2.95Å; E172-F176 WeakPolarHBondContact O-CD2 3.29Å; E172-F176 PolarHBondContact O-N 3.24Å; E172-F176 VanDerWaalsContact O-N 3.08Å
173	A	98.2	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-44.2	173.6	0	0	0	0	0	111.7	G154 Y169 L170 F176 Y177 V211	G154-A173 VanDerWaalsContact O-CB 3.31Å; G154-A173 WeakPolarHBondContact O-CB 3.44Å; Y169-A173 PolarHBondContact O-N 3.22Å; L170-A173 WeakPolarHBondContact O-CB 3.44Å; L170-A173 PolarHBondContact O-N 3.24Å; A173-F176 PolarHBondContact O-N 3.04Å; A173-Y177 HydrophobicContact CB-CE2 4.49Å; A173-Y177 VanDerWaalsContact O-CD2 3.31Å; A173-Y177 WeakPolarHBondContact O-CD2 3.49Å; A173-Y177 PolarHBondContact O-N 3.09Å; A173-V211 HydrophobicContact CB-CG1 4.41Å; A173-V211 HydrophobicContact CB-CG2 4.19Å
174	F	98.3	Very high	95.6	Very high	34 Å²	34	44.3 Å²	44.3	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-46	174.4	173.7	-91.3	0	0	0	111.9	L170 N171 E172 F176 Y177 S178 F208 V211 L215 K217	L170-F174 PolarHBondContact O-N 2.9Å; N171-F174 WeakPolarHBondContact O-CB 3.41Å; N171-F174 PolarHBondContact O-N 2.79Å; E172-F174 VanDerWaalsContact C-N 3.31Å; E172-F174 PolarHBondContact O-N 3.45Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F174-F176 PolarHBondContact O-N 3.31Å; F174-Y177 PolarHBondContact O-N 3.42Å; F174-S178 WeakPolarHBondContact O-CB 3.27Å; F174-S178 PolarHBondContact O-N 3.27Å; F174-F208 AromaticContact CD2-CE2 3.64Å; F174-F208 HydrophobicContact CD2-CE2 3.64Å; F174-F208 HydrophobicContact CD2-CZ 4.42Å; F174-F208 AromaticContact CE2-CE2 3.77Å; F174-F208 HydrophobicContact CE2-CE2 3.77Å; F174-F208 HydrophobicContact CE2-CZ 4.14Å; F174-V211 HydrophobicContact CB-CG1 3.75Å; F174-L215 HydrophobicContact CB-CD1 3.52Å; F174-L215 HydrophobicContact CD2-CD1 4.17Å; F174-L215 HydrophobicContact CG-CD1 3.94Å; F174-K217 HydrophobicContact CD2-CD 3.75Å; F174-K217 HydrophobicContact CE1-CD 4.24Å; F174-K217 HydrophobicContact CE2-CD 3.29Å; F174-K217 HydrophobicContact CG-CD 4.42Å; F174-K217 HydrophobicContact CZ-CD 3.57Å
175	S	98	Very high	95.8	Very high	63 Å²	63	43.8 Å²	43.8	44%	0.441	22%	0.222	S	C	.	.	H	α-helix	trans	-58.2	-44.5	179.3	-66.5	0	0	0	0	112	N171 E172 A179	N171-S175 PolarHBondContact O-N 3.4Å; N171-S175 PolarHBondContact O-OG 3.41Å; E172-S175 WeakPolarHBondContact O-CB 3.42Å; E172-S175 PolarHBondContact O-N 2.95Å; S175-A179 VanDerWaalsContact O-CB 3.31Å; S175-A179 WeakPolarHBondContact O-CB 3.43Å; S175-A179 PolarHBondContact O-N 3.15Å
176	F	98.3	Very high	95.9	Very high	34 Å²	34	44.1 Å²	44.1	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-46.3	176.4	-87.8	-84.9	0	0	0	112.4	W125 A150 I153 Y157 E172 A173 F174 A179 I180	W125-F176 HydrophobicContact CZ2-CE1 4.36Å; A150-F176 HydrophobicContact CB-CD1 4.11Å; I153-F176 HydrophobicContact CB-CD1 4.04Å; I153-F176 HydrophobicContact CB-CE1 3.92Å; I153-F176 HydrophobicContact CB-CG 4.4Å; I153-F176 HydrophobicContact CB-CZ 4.2Å; I153-F176 HydrophobicContact CD1-CE1 3.9Å; I153-F176 HydrophobicContact CD1-CZ 4.34Å; I153-F176 HydrophobicContact CG2-CD1 4Å; I153-F176 HydrophobicContact CG2-CD2 3.87Å; I153-F176 HydrophobicContact CG2-CE1 3.65Å; I153-F176 HydrophobicContact CG2-CE2 3.52Å; I153-F176 HydrophobicContact CG2-CG 4.11Å; I153-F176 HydrophobicContact CG2-CZ 3.4Å; I153-F176 VanDerWaalsContact CG2-CZ 3.4Å; Y157-F176 HydrophobicContact CD2-CD2 4.1Å; Y157-F176 HydrophobicContact CD2-CE2 4.19Å; Y157-F176 HydrophobicContact CE2-CD2 4.04Å; Y157-F176 AromaticContact CE2-CE2 3.66Å; Y157-F176 HydrophobicContact CE2-CE2 3.66Å; E172-F176 WeakPolarHBondContact O-CD2 3.29Å; E172-F176 PolarHBondContact O-N 3.24Å; E172-F176 VanDerWaalsContact O-N 3.08Å; A173-F176 PolarHBondContact O-N 3.04Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F174-F176 PolarHBondContact O-N 3.31Å; F176-A179 PolarHBondContact O-N 3.21Å; F176-I180 WeakPolarHBondContact O-CG1 3.31Å; F176-I180 PolarHBondContact O-N 3.19Å; F176-I180 VanDerWaalsContact O-N 3.13Å
177	Y	98.6	Very high	95.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-42	179.6	-64.4	-34.8	0	0	0	112.6	Q155 A173 F174 A179 I180 R181 Y204 R207 F208 V211	Q155-Y177 WeakPolarHBondContact CA-OH 3.27Å; Q155-Y177 PolarHBondContact N-OH 3.38Å; A173-Y177 HydrophobicContact CB-CE2 4.49Å; A173-Y177 VanDerWaalsContact O-CD2 3.31Å; A173-Y177 WeakPolarHBondContact O-CD2 3.49Å; A173-Y177 PolarHBondContact O-N 3.09Å; F174-Y177 PolarHBondContact O-N 3.42Å; Y177-A179 VanDerWaalsContact C-N 3.32Å; Y177-A179 PolarHBondContact O-N 3.21Å; Y177-I180 HydrophobicContact CD1-CD1 4.21Å; Y177-I180 WeakPolarHBondContact O-CB 3.32Å; Y177-I180 PolarHBondContact O-N 3.47Å; Y177-I180 VanDerWaalsContact O-N 3.08Å; Y177-R181 PolarHBondContact O-N 3.43Å; Y177-Y204 AromaticContact CD1-CD2 3.91Å; Y177-Y204 HydrophobicContact CD1-CD2 3.91Å; Y177-Y204 AromaticContact CD1-CE2 3.94Å; Y177-Y204 HydrophobicContact CD1-CE2 3.94Å; Y177-Y204 HydrophobicContact CE1-CD2 4.46Å; Y177-Y204 HydrophobicContact CG-CE2 4.26Å; Y177-Y204 PolarHBondContact O-OH 3.13Å; Y177-R207 HydrophobicContact CE2-CB 4.15Å; Y177-F208 HydrophobicContact CD2-CB 4.14Å; Y177-F208 AromaticContact CD2-CD2 3.94Å; Y177-F208 HydrophobicContact CD2-CD2 3.94Å; Y177-F208 HydrophobicContact CD2-CG 4.3Å; Y177-F208 HydrophobicContact CG-CB 4.18Å; Y177-F208 HydrophobicContact CG-CD2 4.07Å; Y177-F208 HydrophobicContact CG-CG 4.19Å; Y177-V211 HydrophobicContact CD2-CB 4.34Å; Y177-V211 HydrophobicContact CD2-CG2 4.11Å; Y177-V211 HydrophobicContact CE2-CB 4.43Å; Y177-V211 HydrophobicContact CE2-CG2 3.73Å
178	S	98.1	Very high	95.5	Very high	22 Å²	22	48.5 Å²	48.5	15%	0.154	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-43.3	174.3	-174.4	0	0	0	0	111.7	F174 I180 R181 Q182	F174-S178 WeakPolarHBondContact O-CB 3.27Å; F174-S178 PolarHBondContact O-N 3.27Å; S178-I180 VanDerWaalsContact C-N 3.26Å; S178-I180 PolarHBondContact O-N 3.26Å; S178-R181 PolarHBondContact O-N 3.02Å; S178-Q182 WeakPolarHBondContact O-CG 3.34Å; S178-Q182 PolarHBondContact O-N 3.42Å; S178-Q182 PolarHBondContact OG-NE2 2.93Å
179	A	97.7	Very high	95.1	Very high	25 Å²	25	46.2 Å²	46.2	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-31.8	176	0	0	0	0	0	112.9	S175 F176 Y177 R183	S175-A179 VanDerWaalsContact O-CB 3.31Å; S175-A179 WeakPolarHBondContact O-CB 3.43Å; S175-A179 PolarHBondContact O-N 3.15Å; F176-A179 PolarHBondContact O-N 3.21Å; Y177-A179 VanDerWaalsContact C-N 3.32Å; Y177-A179 PolarHBondContact O-N 3.21Å; A179-R183 WeakPolarHBondContact O-CB 3.34Å; A179-R183 WeakPolarHBondContact O-CG 3.28Å; A179-R183 PolarHBondContact O-N 3.08Å; A179-R183 VanDerWaalsContact O-N 3.1Å
180	I	97.8	Very high	94.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-46.3	175.1	-66.8	164.4	0	0	0	111.4	A150 F176 Y177 S178 S184 Y185 Y186 Y204	A150-I180 HydrophobicContact CB-CD1 3.78Å; A150-I180 HydrophobicContact CB-CG1 3.72Å; F176-I180 WeakPolarHBondContact O-CG1 3.31Å; F176-I180 PolarHBondContact O-N 3.19Å; F176-I180 VanDerWaalsContact O-N 3.13Å; Y177-I180 HydrophobicContact CD1-CD1 4.21Å; Y177-I180 WeakPolarHBondContact O-CB 3.32Å; Y177-I180 PolarHBondContact O-N 3.47Å; Y177-I180 VanDerWaalsContact O-N 3.08Å; S178-I180 VanDerWaalsContact C-N 3.26Å; S178-I180 PolarHBondContact O-N 3.26Å; I180-S184 PolarHBondContact O-N 3.47Å; I180-S184 VanDerWaalsContact O-N 3.15Å; I180-Y185 HydrophobicContact CB-CD2 4.29Å; I180-Y185 HydrophobicContact CG1-CD2 4.1Å; I180-Y185 HydrophobicContact CG2-CD2 4.42Å; I180-Y185 PolarHBondContact O-N 2.92Å; I180-Y186 HydrophobicContact CG2-CD2 3.73Å; I180-Y186 HydrophobicContact CG2-CE2 3.66Å; I180-Y204 HydrophobicContact CB-CE2 3.78Å; I180-Y204 HydrophobicContact CD1-CD2 4Å; I180-Y204 HydrophobicContact CD1-CE2 3.88Å; I180-Y204 HydrophobicContact CG1-CE2 4.46Å; I180-Y204 HydrophobicContact CG2-CD2 4.18Å; I180-Y204 HydrophobicContact CG2-CE1 4.13Å; I180-Y204 HydrophobicContact CG2-CE2 3.68Å
181	R	96.6	Very high	93.8	Very high	72 Å²	72	52.8 Å²	52.8	27%	0.272	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-55.5	175.1	-171.4	174.1	175.2	-142.8	-6.7	110.9	Y177 S178 R183 S184 Y204 F208 D223 E227	Y177-R181 PolarHBondContact O-N 3.43Å; S178-R181 PolarHBondContact O-N 3.02Å; R181-R183 VanDerWaalsContact C-N 3.28Å; R181-R183 PolarHBondContact O-N 3.45Å; R181-S184 PolarHBondContact O-N 3.26Å; R181-Y204 WeakPolarHBondContact CB-OH 3.49Å; R181-Y204 PolarHBondContact N-OH 3.48Å; R181-F208 HydrophobicContact CB-CE1 4.31Å; R181-D223 IonicContact NH1-OD2 3.84Å; R181-D223 IonicContact NH2-OD2 3.35Å; R181-D223 PolarHBondContact NH2-OD2 3.39Å; R181-E227 IonicContact CZ-OE1 3.9Å; R181-E227 IonicContact NE-OE1 3.95Å; R181-E227 PolarHBondContact NE-OE1 3.05Å; R181-E227 IonicContact NE-OE2 3.63Å; R181-E227 PolarHBondContact NE-OE2 2.72Å; R181-E227 IonicContact NH2-OE1 2.73Å; R181-E227 PolarHBondContact NH2-OE1 3.17Å
182	Q	96.6	Very high	93.3	Very high	148 Å²	148	53.6 Å²	53.6	69%	0.692	27%	0.267	S	S	*	.	H	α-helix	trans	-58.4	-37.1	-176	-71.5	175.7	-0.8	0	0	113.2	S178	S178-Q182 WeakPolarHBondContact O-CG 3.34Å; S178-Q182 PolarHBondContact O-N 3.42Å; S178-Q182 PolarHBondContact OG-NE2 2.93Å
183	R	95.9	Very high	92.6	Very high	124 Å²	124	55 Å²	55	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.3	-179.5	-62.7	177.8	-178.8	177.5	0.9	113.5	R143 A179 R181 Y185	R143-R183 PolarHBondContact NH2-O 3.47Å; A179-R183 WeakPolarHBondContact O-CB 3.34Å; A179-R183 WeakPolarHBondContact O-CG 3.28Å; A179-R183 PolarHBondContact O-N 3.08Å; A179-R183 VanDerWaalsContact O-N 3.1Å; R181-R183 VanDerWaalsContact C-N 3.28Å; R181-R183 PolarHBondContact O-N 3.45Å; R183-Y185 VanDerWaalsContact C-N 3.26Å; R183-Y185 HydrophobicContact CB-CD2 4.19Å; R183-Y185 HydrophobicContact CB-CE1 4.39Å; R183-Y185 HydrophobicContact CB-CE2 3.89Å; R183-Y185 VanDerWaalsContact CD-OH 3.24Å; R183-Y185 WeakPolarHBondContact CD-OH 3.15Å; R183-Y185 HydrophobicContact CG-CE2 4.45Å; R183-Y185 PolarHBondContact NH1-OH 2.74Å; R183-Y185 VanDerWaalsContact NH1-OH 3.07Å; R183-Y185 PolarHBondContact O-N 3.43Å
184	S	94.9	Very high	92.2	Very high	67 Å²	67	61.3 Å²	61.3	47%	0.469	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	44.8	178.4	-62.9	0	0	0	0	112.7	I180 R181 Y186 S187	I180-S184 PolarHBondContact O-N 3.47Å; I180-S184 VanDerWaalsContact O-N 3.15Å; R181-S184 PolarHBondContact O-N 3.26Å; S184-Y186 PolarHBondContact O-N 3.49Å; S184-Y186 VanDerWaalsContact O-N 3.17Å; S184-S187 WeakPolarHBondContact O-CB 3.41Å; S184-S187 PolarHBondContact O-N 2.97Å; S184-S187 VanDerWaalsContact O-N 3.1Å; S184-S187 PolarHBondContact O-OG 3.3Å
185	Y	94.9	Very high	91.7	Very high	14 Å²	14	61.9 Å²	61.9	6%	0.055	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29	-176.8	-77.1	-56.5	0	0	0	112.6	R143 W144 I146 I180 R183	R143-Y185 CarbonylContact C-O 3.41Å; R143-Y185 HydrophobicContact CB-CD1 4.35Å; R143-Y185 VanDerWaalsContact O-CD1 3.31Å; R143-Y185 WeakPolarHBondContact O-CD1 3.21Å; W144-Y185 VanDerWaalsContact CA-O 3.22Å; W144-Y185 WeakPolarHBondContact CA-O 3.4Å; W144-Y185 PolarHBondContact N-O 3.34Å; I146-Y185 HydrophobicContact CB-CD1 4.08Å; I146-Y185 HydrophobicContact CB-CE1 3.9Å; I146-Y185 HydrophobicContact CD1-CD1 4.43Å; I146-Y185 HydrophobicContact CD1-CE1 4.02Å; I146-Y185 HydrophobicContact CG2-CD1 4.33Å; I146-Y185 HydrophobicContact CG2-CE1 3.71Å; I146-Y185 HydrophobicContact CG2-CE2 4.46Å; I180-Y185 HydrophobicContact CB-CD2 4.29Å; I180-Y185 HydrophobicContact CG1-CD2 4.1Å; I180-Y185 HydrophobicContact CG2-CD2 4.42Å; I180-Y185 PolarHBondContact O-N 2.92Å; R183-Y185 VanDerWaalsContact C-N 3.26Å; R183-Y185 HydrophobicContact CB-CD2 4.19Å; R183-Y185 HydrophobicContact CB-CE1 4.39Å; R183-Y185 HydrophobicContact CB-CE2 3.89Å; R183-Y185 VanDerWaalsContact CD-OH 3.24Å; R183-Y185 WeakPolarHBondContact CD-OH 3.15Å; R183-Y185 HydrophobicContact CG-CE2 4.45Å; R183-Y185 PolarHBondContact NH1-OH 2.74Å; R183-Y185 VanDerWaalsContact NH1-OH 3.07Å; R183-Y185 PolarHBondContact O-N 3.43Å
186	Y	93.5	Very high	91.4	Very high	11 Å²	11	62.7 Å²	62.7	4%	0.043	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	7.7	179.4	-65.8	-58.6	0	0	0	115	W144 E148 I180 S184 Q188 V189 K201 Y204	W144-Y186 HydrophobicContact CB-CD1 3.96Å; W144-Y186 HydrophobicContact CB-CE1 4.36Å; E148-Y186 HydrophobicContact CG-CE1 4.34Å; I180-Y186 HydrophobicContact CG2-CD2 3.73Å; I180-Y186 HydrophobicContact CG2-CE2 3.66Å; S184-Y186 PolarHBondContact O-N 3.49Å; S184-Y186 VanDerWaalsContact O-N 3.17Å; Y186-Q188 PolarHBondContact O-N 2.78Å; Y186-Q188 VanDerWaalsContact O-N 3.14Å; Y186-V189 HydrophobicContact CD1-CG2 3.55Å; Y186-V189 HydrophobicContact CG-CG2 4.24Å; Y186-V189 WeakPolarHBondContact O-CB 3.43Å; Y186-V189 PolarHBondContact O-N 3.01Å; Y186-K201 HydrophobicContact CD1-CB 4.46Å; Y186-K201 HydrophobicContact CD2-CB 4.48Å; Y186-K201 HydrophobicContact CD2-CG 4.08Å; Y186-K201 HydrophobicContact CG-CB 4.25Å; Y186-K201 HydrophobicContact CG-CD 4.44Å; Y186-K201 HydrophobicContact CG-CG 3.96Å; Y186-Y204 AromaticContact CD2-CD1 3.96Å; Y186-Y204 HydrophobicContact CD2-CD1 3.96Å; Y186-Y204 HydrophobicContact CD2-CE1 4.37Å; Y186-Y204 HydrophobicContact CD2-CG 4.36Å; Y186-Y204 AromaticContact CE2-CD1 3.84Å; Y186-Y204 HydrophobicContact CE2-CD1 3.84Å; Y186-Y204 HydrophobicContact CE2-CD2 4.36Å; Y186-Y204 AromaticContact CE2-CG 3.75Å; Y186-Y204 HydrophobicContact CE2-CG 3.75Å
187	S	88.2	Confident	91	Very high	65 Å²	65	61.3 Å²	61.3	46%	0.455	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-27.4	-178.8	49.9	0	0	0	0	114.6	S184	S184-S187 WeakPolarHBondContact O-CB 3.41Å; S184-S187 PolarHBondContact O-N 2.97Å; S184-S187 VanDerWaalsContact O-N 3.1Å; S184-S187 PolarHBondContact O-OG 3.3Å
188	Q	84.8	Confident	90.7	Very high	80 Å²	80	61.4 Å²	61.4	37%	0.374	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-3	-177.5	-64.9	-179.8	-6.9	0	0	113.8	Y186 N190 K191	Y186-Q188 PolarHBondContact O-N 2.78Å; Y186-Q188 VanDerWaalsContact O-N 3.14Å; Q188-N190 PolarHBondContact O-N 3.12Å; Q188-K191 WeakPolarHBondContact O-CB 3.25Å; Q188-K191 PolarHBondContact O-N 3.45Å
189	V	84.8	Confident	90.4	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.5	-41.9	-178.1	167.3	0	0	0	0	111.6	W144 Y186 K191 E192 L197 V198	W144-V189 HydrophobicContact CB-CG2 3.69Å; W144-V189 HydrophobicContact CG-CG2 4.21Å; Y186-V189 HydrophobicContact CD1-CG2 3.55Å; Y186-V189 HydrophobicContact CG-CG2 4.24Å; Y186-V189 WeakPolarHBondContact O-CB 3.43Å; Y186-V189 PolarHBondContact O-N 3.01Å; V189-K191 PolarHBondContact O-N 3.16Å; V189-K191 VanDerWaalsContact O-N 3.12Å; V189-E192 PolarHBondContact O-N 3.3Å; V189-E192 VanDerWaalsContact O-N 3.08Å; V189-L197 HydrophobicContact CG1-CB 3.68Å; V189-V198 HydrophobicContact CG1-CB 4.5Å; V189-V198 HydrophobicContact CG1-CG2 3.9Å
190	N	79.3	Confident	90.2	Very high	36 Å²	36	63.3 Å²	63.3	19%	0.193	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-64.6	-16.8	-179	-73.1	8.3	0	0	0	113.1	Q188 D234 R238	Q188-N190 PolarHBondContact O-N 3.12Å; N190-D234 PolarHBondContact ND2-OD2 2.89Å; N190-R238 PolarHBondContact ND2-NH1 3.38Å
191	K	83.1	Confident	90.1	Very high	174 Å²	174	63.9 Å²	63.9	76%	0.757	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-89.8	-16.4	177.5	-58.7	-174.8	178	-173.3	0	113.6	Q188 V189	Q188-K191 WeakPolarHBondContact O-CB 3.25Å; Q188-K191 PolarHBondContact O-N 3.45Å; V189-K191 PolarHBondContact O-N 3.16Å; V189-K191 VanDerWaalsContact O-N 3.12Å
192	E	83.8	Confident	90	Very high	70 Å²	70	60.4 Å²	60.4	33%	0.327	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.4	-179.9	-61.3	-81.3	-172.7	0	0	111.7	W144 V189 R194 L197	W144-E192 PolarHBondContact NE1-OE1 3.31Å; W144-E192 VanDerWaalsContact NE1-OE1 3.15Å; V189-E192 PolarHBondContact O-N 3.3Å; V189-E192 VanDerWaalsContact O-N 3.08Å; E192-R194 VanDerWaalsContact C-N 3.25Å; E192-R194 WeakPolarHBondContact O-CG 3.48Å; E192-R194 PolarHBondContact O-N 3.14Å; E192-L197 HydrophobicContact CB-CD1 3.87Å; E192-L197 HydrophobicContact CG-CD1 4.11Å
193	D	83.9	Confident	90	Very high	114 Å²	114	59.5 Å²	59.5	61%	0.61	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	38.7	-179.9	-158.2	30.2	0	0	0	114.3	F239	D193-F239 WeakPolarHBondContact OD1-CE1 3.25Å
194	R	88.4	Confident	90	Very high	131 Å²	131	53.7 Å²	53.7	49%	0.494	26%	0.259	S	S	.	.			trans	-121.1	108.9	-176.8	-74.3	178	74.2	151	13.8	111.2	E192 E196 L197 V198	E192-R194 VanDerWaalsContact C-N 3.25Å; E192-R194 WeakPolarHBondContact O-CG 3.48Å; E192-R194 PolarHBondContact O-N 3.14Å; R194-E196 VanDerWaalsContact C-N 3.26Å; R194-E196 IonicContact CZ-OE1 3.98Å; R194-E196 IonicContact NE-OE1 3.01Å; R194-E196 PolarHBondContact NE-OE1 2.9Å; R194-E196 IonicContact NH2-OE1 2.67Å; R194-E196 PolarHBondContact NH2-OE1 3.04Å; R194-E196 PolarHBondContact O-N 3.12Å; R194-L197 HydrophobicContact CB-CB 4.39Å; R194-L197 HydrophobicContact CB-CD1 3.95Å; R194-L197 HydrophobicContact CB-CG 3.92Å; R194-L197 PolarHBondContact O-N 3.29Å; R194-V198 PolarHBondContact O-N 3.46Å
195	P	89.5	Confident	90.2	Very high	46 Å²	46	51.4 Å²	51.4	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-34.7	-174.1	22.5	-32.6	0	0	0	112.6	L197 V198 V199 Y235 F239	P195-L197 PolarHBondContact O-N 3.29Å; P195-V198 PolarHBondContact O-N 2.9Å; P195-V199 WeakPolarHBondContact O-CG2 3.28Å; P195-V199 PolarHBondContact O-N 3.21Å; P195-Y235 HydrophobicContact CB-CE2 4Å; P195-F239 HydrophobicContact CB-CD1 3.93Å; P195-F239 HydrophobicContact CB-CD2 4.29Å; P195-F239 HydrophobicContact CB-CE1 4.15Å; P195-F239 HydrophobicContact CB-CE2 4.5Å; P195-F239 HydrophobicContact CB-CG 4.01Å; P195-F239 HydrophobicContact CB-CZ 4.43Å; P195-F239 HydrophobicContact CG-CD1 4.22Å; P195-F239 HydrophobicContact CG-CE1 4.34Å
196	E	90.3	Very high	90.3	Very high	80 Å²	80	51.7 Å²	51.7	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-27.6	178.2	68.6	-83.2	-163.1	0	0	113.5	R194 K200	R194-E196 VanDerWaalsContact C-N 3.26Å; R194-E196 IonicContact CZ-OE1 3.98Å; R194-E196 IonicContact NE-OE1 3.01Å; R194-E196 PolarHBondContact NE-OE1 2.9Å; R194-E196 IonicContact NH2-OE1 2.67Å; R194-E196 PolarHBondContact NH2-OE1 3.04Å; R194-E196 PolarHBondContact O-N 3.12Å; E196-K200 WeakPolarHBondContact O-CG 3.39Å; E196-K200 PolarHBondContact O-N 3.2Å
197	L	91	Very high	90.4	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-76.5	-38.7	175.7	-63.3	-176.3	0	0	0	110.9	W144 V189 E192 R194 P195 K200 K201	W144-L197 HydrophobicContact CD2-CD1 4.5Å; W144-L197 HydrophobicContact CE3-CD2 4.07Å; W144-L197 HydrophobicContact CH2-CD1 4.34Å; W144-L197 HydrophobicContact CH2-CD2 3.81Å; W144-L197 HydrophobicContact CZ2-CD1 4.03Å; W144-L197 HydrophobicContact CZ2-CD2 4.33Å; W144-L197 HydrophobicContact CZ3-CD2 3.66Å; V189-L197 HydrophobicContact CG1-CB 3.68Å; E192-L197 HydrophobicContact CB-CD1 3.87Å; E192-L197 HydrophobicContact CG-CD1 4.11Å; R194-L197 HydrophobicContact CB-CB 4.39Å; R194-L197 HydrophobicContact CB-CD1 3.95Å; R194-L197 HydrophobicContact CB-CG 3.92Å; R194-L197 PolarHBondContact O-N 3.29Å; P195-L197 PolarHBondContact O-N 3.29Å; L197-K200 HydrophobicContact CD2-CD 4.38Å; L197-K200 WeakPolarHBondContact O-CB 3.38Å; L197-K200 PolarHBondContact O-N 3.24Å; L197-K201 PolarHBondContact O-N 3.28Å
198	V	91.9	Very high	90.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-45.2	174.6	-175.2	0	0	0	0	110	V189 R194 P195 K200 K201 L202 Y235 F239	V189-V198 HydrophobicContact CG1-CB 4.5Å; V189-V198 HydrophobicContact CG1-CG2 3.9Å; R194-V198 PolarHBondContact O-N 3.46Å; P195-V198 PolarHBondContact O-N 2.9Å; V198-K200 PolarHBondContact O-N 3.01Å; V198-K201 CarbonylContact O-C 3.58Å; V198-K201 WeakPolarHBondContact O-CA 3.48Å; V198-K201 VanDerWaalsContact O-CB 3.26Å; V198-K201 WeakPolarHBondContact O-CB 3.44Å; V198-K201 PolarHBondContact O-N 3.44Å; V198-L202 HydrophobicContact CG1-CG 4.36Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.32Å; V198-Y235 HydrophobicContact CB-CD2 3.76Å; V198-Y235 HydrophobicContact CB-CE2 4.21Å; V198-Y235 HydrophobicContact CG1-CD2 3.49Å; V198-Y235 VanDerWaalsContact CG1-CD2 3.49Å; V198-Y235 HydrophobicContact CG1-CE2 4.34Å; V198-Y235 HydrophobicContact CG1-CG 3.9Å; V198-Y235 HydrophobicContact CG2-CD2 4.42Å; V198-F239 HydrophobicContact CG2-CE2 4Å
199	V	92.6	Very high	91.6	Very high	16 Å²	16	47.5 Å²	47.5	10%	0.097	22%	0.217	C	C	.	.	H	α-helix	trans	-56.1	-36.7	174.5	168.1	0	0	0	0	112.1	P195 L202 R203 Y235 W247	P195-V199 WeakPolarHBondContact O-CG2 3.28Å; P195-V199 PolarHBondContact O-N 3.21Å; V199-L202 PolarHBondContact O-N 3.41Å; V199-R203 HydrophobicContact CG1-CG 4.43Å; V199-R203 WeakPolarHBondContact O-CB 3.38Å; V199-R203 VanDerWaalsContact O-CG 3.23Å; V199-R203 WeakPolarHBondContact O-CG 3.17Å; V199-R203 PolarHBondContact O-N 2.87Å; V199-Y235 HydrophobicContact CG2-CE1 4.49Å; V199-Y235 HydrophobicContact CG2-CE2 4.22Å; V199-Y235 WeakPolarHBondContact CG2-OH 3.38Å; V199-W247 HydrophobicContact CG1-CZ2 4.3Å
200	K	93.4	Very high	92.2	Very high	72 Å²	72	48 Å²	48	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-38.8	174.4	-70.4	175.3	-173.2	175	0	112.2	E148 E196 L197 V198 Y204	E148-K200 VanDerWaalsContact CD-NZ 3.31Å; E148-K200 HydrophobicContact CG-CD 4.43Å; E148-K200 WeakPolarHBondContact OE1-CD 3.41Å; E148-K200 WeakPolarHBondContact OE1-CE 3.38Å; E148-K200 IonicContact OE1-NZ 3.42Å; E148-K200 PolarHBondContact OE1-NZ 3.43Å; E148-K200 IonicContact OE2-NZ 2.69Å; E148-K200 PolarHBondContact OE2-NZ 2.94Å; E196-K200 WeakPolarHBondContact O-CG 3.39Å; E196-K200 PolarHBondContact O-N 3.2Å; L197-K200 HydrophobicContact CD2-CD 4.38Å; L197-K200 WeakPolarHBondContact O-CB 3.38Å; L197-K200 PolarHBondContact O-N 3.24Å; V198-K200 PolarHBondContact O-N 3.01Å; K200-Y204 PolarHBondContact O-N 3.33Å
201	K	94.7	Very high	93	Very high	13 Å²	13	46.3 Å²	46.3	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-47	173.7	-174.5	-174	-177	-177	0	111.3	Y186 L197 V198 R203 Y204 Y205 E231	Y186-K201 HydrophobicContact CD1-CB 4.46Å; Y186-K201 HydrophobicContact CD2-CB 4.48Å; Y186-K201 HydrophobicContact CD2-CG 4.08Å; Y186-K201 HydrophobicContact CG-CB 4.25Å; Y186-K201 HydrophobicContact CG-CD 4.44Å; Y186-K201 HydrophobicContact CG-CG 3.96Å; L197-K201 PolarHBondContact O-N 3.28Å; V198-K201 CarbonylContact O-C 3.58Å; V198-K201 WeakPolarHBondContact O-CA 3.48Å; V198-K201 VanDerWaalsContact O-CB 3.26Å; V198-K201 WeakPolarHBondContact O-CB 3.44Å; V198-K201 PolarHBondContact O-N 3.44Å; K201-R203 PolarHBondContact O-N 3.42Å; K201-Y204 WeakPolarHBondContact O-CA 3.33Å; K201-Y204 VanDerWaalsContact O-CB 3.29Å; K201-Y204 WeakPolarHBondContact O-CB 3.23Å; K201-Y204 PolarHBondContact O-N 3.43Å; K201-Y205 HydrophobicContact CG-CD2 4.23Å; K201-Y205 HydrophobicContact CG-CE2 4.04Å; K201-Y205 WeakPolarHBondContact O-CD2 3.48Å; K201-Y205 PolarHBondContact O-N 3.24Å; K201-E231 VanDerWaalsContact CE-OE1 3.29Å; K201-E231 WeakPolarHBondContact CE-OE1 3.44Å; K201-E231 VanDerWaalsContact CE-OE2 3.25Å; K201-E231 WeakPolarHBondContact CE-OE2 3.39Å; K201-E231 IonicContact NZ-OE1 2.81Å; K201-E231 PolarHBondContact NZ-OE1 3Å; K201-E231 IonicContact NZ-OE2 3.64Å; K201-E231 PolarHBondContact NZ-OE2 3.4Å
202	L	95.2	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-45.2	176.2	-60.6	-177.2	0	0	0	111.8	V198 V199 Y204 Y205 A206 L228 E231 I232 Y235 W247	V198-L202 HydrophobicContact CG1-CG 4.36Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 3.32Å; V199-L202 PolarHBondContact O-N 3.41Å; L202-Y204 VanDerWaalsContact C-N 3.27Å; L202-Y204 PolarHBondContact O-N 3.42Å; L202-Y205 WeakPolarHBondContact O-CB 3.42Å; L202-Y205 PolarHBondContact O-N 3.48Å; L202-A206 PolarHBondContact O-N 2.67Å; L202-L228 HydrophobicContact CB-CD1 4.39Å; L202-L228 HydrophobicContact CD2-CD1 3.82Å; L202-E231 HydrophobicContact CD2-CB 3.69Å; L202-I232 HydrophobicContact CD1-CG1 4.2Å; L202-I232 HydrophobicContact CD2-CG1 3.89Å; L202-Y235 HydrophobicContact CD1-CD1 3.94Å; L202-Y235 HydrophobicContact CD1-CE1 4.42Å; L202-Y235 HydrophobicContact CD1-CG 4.19Å; L202-W247 HydrophobicContact CB-CE3 4.21Å; L202-W247 HydrophobicContact CB-CH2 3.44Å; L202-W247 VanDerWaalsContact CB-CH2 3.44Å; L202-W247 HydrophobicContact CB-CZ2 3.77Å; L202-W247 HydrophobicContact CB-CZ3 3.69Å; L202-W247 HydrophobicContact CD1-CD2 3.86Å; L202-W247 HydrophobicContact CD1-CE3 4.29Å; L202-W247 HydrophobicContact CD1-CG 4.29Å; L202-W247 HydrophobicContact CD1-CH2 4.34Å; L202-W247 HydrophobicContact CD1-CZ2 3.91Å
203	R	95.4	Very high	94.2	Very high	128 Å²	128	35.1 Å²	35.1	48%	0.483	16%	0.161	S	C	.	.	H	α-helix	trans	-65.4	-28.7	175.6	-68.3	175.2	178.9	160.4	1.7	112.9	V199 K201 R207 W247	V199-R203 HydrophobicContact CG1-CG 4.43Å; V199-R203 WeakPolarHBondContact O-CB 3.38Å; V199-R203 VanDerWaalsContact O-CG 3.23Å; V199-R203 WeakPolarHBondContact O-CG 3.17Å; V199-R203 PolarHBondContact O-N 2.87Å; K201-R203 PolarHBondContact O-N 3.42Å; R203-R207 VanDerWaalsContact CB-NH1 3.32Å; R203-R207 VanDerWaalsContact O-CG 3.29Å; R203-R207 WeakPolarHBondContact O-CG 3.46Å; R203-R207 PolarHBondContact O-N 3.18Å; R203-R207 PolarHBondContact O-NH1 3.33Å; R203-W247 HydrophobicContact CG-CH2 3.83Å; R203-W247 HydrophobicContact CG-CZ2 4.4Å
204	Y	97.1	Very high	94.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-65.4	-48.5	172.2	146.5	-97.6	0	0	0	110.5	Y177 I180 R181 Y186 K200 K201 L202 A206 R207 F208	Y177-Y204 AromaticContact CD1-CD2 3.91Å; Y177-Y204 HydrophobicContact CD1-CD2 3.91Å; Y177-Y204 AromaticContact CD1-CE2 3.94Å; Y177-Y204 HydrophobicContact CD1-CE2 3.94Å; Y177-Y204 HydrophobicContact CE1-CD2 4.46Å; Y177-Y204 HydrophobicContact CG-CE2 4.26Å; Y177-Y204 PolarHBondContact O-OH 3.13Å; I180-Y204 HydrophobicContact CB-CE2 3.78Å; I180-Y204 HydrophobicContact CD1-CD2 4Å; I180-Y204 HydrophobicContact CD1-CE2 3.88Å; I180-Y204 HydrophobicContact CG1-CE2 4.46Å; I180-Y204 HydrophobicContact CG2-CD2 4.18Å; I180-Y204 HydrophobicContact CG2-CE1 4.13Å; I180-Y204 HydrophobicContact CG2-CE2 3.68Å; R181-Y204 WeakPolarHBondContact CB-OH 3.49Å; R181-Y204 PolarHBondContact N-OH 3.48Å; Y186-Y204 AromaticContact CD2-CD1 3.96Å; Y186-Y204 HydrophobicContact CD2-CD1 3.96Å; Y186-Y204 HydrophobicContact CD2-CE1 4.37Å; Y186-Y204 HydrophobicContact CD2-CG 4.36Å; Y186-Y204 AromaticContact CE2-CD1 3.84Å; Y186-Y204 HydrophobicContact CE2-CD1 3.84Å; Y186-Y204 HydrophobicContact CE2-CD2 4.36Å; Y186-Y204 AromaticContact CE2-CG 3.75Å; Y186-Y204 HydrophobicContact CE2-CG 3.75Å; K200-Y204 PolarHBondContact O-N 3.33Å; K201-Y204 WeakPolarHBondContact O-CA 3.33Å; K201-Y204 VanDerWaalsContact O-CB 3.29Å; K201-Y204 WeakPolarHBondContact O-CB 3.23Å; K201-Y204 PolarHBondContact O-N 3.43Å; L202-Y204 VanDerWaalsContact C-N 3.27Å; L202-Y204 PolarHBondContact O-N 3.42Å; Y204-A206 PolarHBondContact O-N 3.1Å; Y204-R207 PolarHBondContact O-N 3.23Å; Y204-F208 HydrophobicContact CE2-CB 4.41Å; Y204-F208 HydrophobicContact CE2-CD1 4.27Å; Y204-F208 AromaticContact CZ-CD1 3.98Å; Y204-F208 WeakPolarHBondContact O-CB 3.3Å; Y204-F208 PolarHBondContact O-N 3.08Å; Y204-F208 WeakPolarHBondContact OH-CD1 3.48Å
205	Y	97.6	Very high	95	Very high	20 Å²	20	24.5 Å²	24.5	8%	0.078	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-49.9	176.7	-86.8	-71.8	0	0	0	112	K201 L202 R207 F208 I209 L224 E227 L228 E231	K201-Y205 HydrophobicContact CG-CD2 4.23Å; K201-Y205 HydrophobicContact CG-CE2 4.04Å; K201-Y205 WeakPolarHBondContact O-CD2 3.48Å; K201-Y205 PolarHBondContact O-N 3.24Å; L202-Y205 WeakPolarHBondContact O-CB 3.42Å; L202-Y205 PolarHBondContact O-N 3.48Å; Y205-R207 VanDerWaalsContact C-N 3.3Å; Y205-R207 PolarHBondContact O-N 3.31Å; Y205-F208 PolarHBondContact O-N 3.16Å; Y205-I209 WeakPolarHBondContact O-CG1 3.37Å; Y205-I209 PolarHBondContact O-N 3.47Å; Y205-L224 HydrophobicContact CD1-CD2 3.84Å; Y205-L224 HydrophobicContact CE1-CD2 3.77Å; Y205-E227 HydrophobicContact CE1-CB 3.74Å; Y205-E227 WeakPolarHBondContact CE1-OE2 3.34Å; Y205-E227 PolarHBondContact OH-OE2 3.38Å; Y205-L228 HydrophobicContact CG-CB 4.41Å; Y205-L228 HydrophobicContact CG-CD1 4.43Å; Y205-E231 HydrophobicContact CE2-CG 4.12Å
206	A	97.1	Very high	95.1	Very high	19 Å²	19	24.2 Å²	24.2	16%	0.157	11%	0.11	C	C	.	.	H	α-helix	trans	-55.6	-44.6	177.7	0	0	0	0	0	112.1	L202 Y204 I209 V210	L202-A206 PolarHBondContact O-N 2.67Å; Y204-A206 PolarHBondContact O-N 3.1Å; A206-I209 PolarHBondContact O-N 3.49Å; A206-V210 WeakPolarHBondContact O-CG2 3.47Å; A206-V210 PolarHBondContact O-N 2.93Å; A206-V210 VanDerWaalsContact O-N 3.15Å
207	R	97.4	Very high	95.2	Very high	68 Å²	68	24 Å²	24	26%	0.257	11%	0.108	S	C	.	.	H	α-helix	trans	-66.6	-37	176.3	-71.3	-179	-165.6	95.7	8.7	112.8	Y177 R203 Y204 Y205 V210 V211	Y177-R207 HydrophobicContact CE2-CB 4.15Å; R203-R207 VanDerWaalsContact CB-NH1 3.32Å; R203-R207 VanDerWaalsContact O-CG 3.29Å; R203-R207 WeakPolarHBondContact O-CG 3.46Å; R203-R207 PolarHBondContact O-N 3.18Å; R203-R207 PolarHBondContact O-NH1 3.33Å; Y204-R207 PolarHBondContact O-N 3.23Å; Y205-R207 VanDerWaalsContact C-N 3.3Å; Y205-R207 PolarHBondContact O-N 3.31Å; R207-V210 PolarHBondContact O-N 3.22Å; R207-V211 PolarHBondContact O-N 2.98Å; R207-V211 VanDerWaalsContact O-N 3.14Å
208	F	98.4	Very high	95.3	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-67	-42.6	179	-168.3	-169.1	0	0	0	110.9	F174 Y177 R181 Y204 Y205 V210 V211 C212 V220 L224	F174-F208 AromaticContact CD2-CE2 3.64Å; F174-F208 HydrophobicContact CD2-CE2 3.64Å; F174-F208 HydrophobicContact CD2-CZ 4.42Å; F174-F208 AromaticContact CE2-CE2 3.77Å; F174-F208 HydrophobicContact CE2-CE2 3.77Å; F174-F208 HydrophobicContact CE2-CZ 4.14Å; Y177-F208 HydrophobicContact CD2-CB 4.14Å; Y177-F208 AromaticContact CD2-CD2 3.94Å; Y177-F208 HydrophobicContact CD2-CD2 3.94Å; Y177-F208 HydrophobicContact CD2-CG 4.3Å; Y177-F208 HydrophobicContact CG-CB 4.18Å; Y177-F208 HydrophobicContact CG-CD2 4.07Å; Y177-F208 HydrophobicContact CG-CG 4.19Å; R181-F208 HydrophobicContact CB-CE1 4.31Å; Y204-F208 HydrophobicContact CE2-CB 4.41Å; Y204-F208 HydrophobicContact CE2-CD1 4.27Å; Y204-F208 AromaticContact CZ-CD1 3.98Å; Y204-F208 WeakPolarHBondContact O-CB 3.3Å; Y204-F208 PolarHBondContact O-N 3.08Å; Y204-F208 WeakPolarHBondContact OH-CD1 3.48Å; Y205-F208 PolarHBondContact O-N 3.16Å; F208-V210 PolarHBondContact O-N 3.1Å; F208-V211 PolarHBondContact O-N 3.3Å; F208-C212 VanDerWaalsContact CD2-SG 3.6Å; F208-C212 WeakPolarHBondContact CE2-SG 3.41Å; F208-C212 PolarHBondContact O-N 3.2Å; F208-C212 PolarHBondContact O-SG 2.96Å; F208-C212 VanDerWaalsContact O-SG 3.41Å; F208-V220 HydrophobicContact CZ-CG1 4.32Å; F208-L224 HydrophobicContact CB-CD1 4.09Å; F208-L224 HydrophobicContact CD1-CD1 3.47Å; F208-L224 VanDerWaalsContact CD1-CD1 3.47Å; F208-L224 HydrophobicContact CD1-CD2 3.46Å; F208-L224 VanDerWaalsContact CD1-CD2 3.46Å; F208-L224 HydrophobicContact CD1-CG 4.12Å; F208-L224 HydrophobicContact CD2-CD1 4.08Å; F208-L224 HydrophobicContact CE1-CD1 3.84Å; F208-L224 HydrophobicContact CE1-CD2 3.72Å; F208-L224 HydrophobicContact CE1-CG 4.35Å; F208-L224 HydrophobicContact CE2-CD1 4.41Å; F208-L224 HydrophobicContact CG-CD1 3.59Å; F208-L224 HydrophobicContact CG-CD2 4.36Å; F208-L224 HydrophobicContact CZ-CD1 4.29Å
209	I	98.3	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.1	-48.4	173.6	-67.9	166.8	0	0	0	110.6	Y205 A206 V211 C212 L213 V221 L224 V225 L228 V254 F313	Y205-I209 WeakPolarHBondContact O-CG1 3.37Å; Y205-I209 PolarHBondContact O-N 3.47Å; A206-I209 PolarHBondContact O-N 3.49Å; I209-V211 VanDerWaalsContact C-N 3.35Å; I209-V211 PolarHBondContact O-N 2.9Å; I209-C212 PolarHBondContact O-N 3.19Å; I209-L213 HydrophobicContact CG2-CD1 3.93Å; I209-L213 HydrophobicContact CG2-CG 4.33Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 2.95Å; I209-V221 HydrophobicContact CG2-CG1 4.25Å; I209-L224 HydrophobicContact CD1-CB 4.24Å; I209-L224 HydrophobicContact CG1-CB 3.65Å; I209-L224 HydrophobicContact CG1-CD1 4.14Å; I209-V225 HydrophobicContact CD1-CG2 4.01Å; I209-L228 HydrophobicContact CD1-CB 4.47Å; I209-L228 HydrophobicContact CD1-CD2 3.72Å; I209-V254 HydrophobicContact CG2-CG1 3.92Å; I209-V254 HydrophobicContact CG2-CG2 4.37Å; I209-F313 HydrophobicContact CB-CE1 4.18Å; I209-F313 HydrophobicContact CB-CZ 4.4Å; I209-F313 HydrophobicContact CG2-CD1 4.44Å; I209-F313 HydrophobicContact CG2-CE1 3.6Å; I209-F313 HydrophobicContact CG2-CZ 4.1Å
210	V	97.4	Very high	95.5	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.067	14%	0.144	C	C	.	.	H	α-helix	trans	-55.7	-48.4	177	173.5	0	0	0	0	111.4	Y158 A206 R207 F208 C212 L213 L214 F313	Y158-V210 HydrophobicContact CE2-CG1 4.17Å; A206-V210 WeakPolarHBondContact O-CG2 3.47Å; A206-V210 PolarHBondContact O-N 2.93Å; A206-V210 VanDerWaalsContact O-N 3.15Å; R207-V210 PolarHBondContact O-N 3.22Å; F208-V210 PolarHBondContact O-N 3.1Å; V210-C212 VanDerWaalsContact C-N 3.34Å; V210-C212 PolarHBondContact O-N 2.81Å; V210-L213 PolarHBondContact O-N 3.37Å; V210-L214 HydrophobicContact CG1-CD1 4.02Å; V210-L214 WeakPolarHBondContact O-CG 3.44Å; V210-L214 PolarHBondContact O-N 3.35Å; V210-F313 HydrophobicContact CB-CE1 4.37Å; V210-F313 HydrophobicContact CG2-CD1 3.94Å; V210-F313 HydrophobicContact CG2-CE1 3.31Å; V210-F313 HydrophobicContact CG2-CZ 3.86Å
211	V	97.5	Very high	95.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-40.6	179.3	170	0	0	0	0	111.7	Y158 L170 A173 F174 Y177 R207 F208 I209 L214 L215	Y158-V211 HydrophobicContact CD2-CG2 4.04Å; Y158-V211 HydrophobicContact CG-CG2 4.45Å; L170-V211 HydrophobicContact CD1-CB 4.26Å; L170-V211 HydrophobicContact CD1-CG1 3.91Å; L170-V211 HydrophobicContact CD1-CG2 3.94Å; L170-V211 HydrophobicContact CG-CG1 4.31Å; A173-V211 HydrophobicContact CB-CG1 4.41Å; A173-V211 HydrophobicContact CB-CG2 4.19Å; F174-V211 HydrophobicContact CB-CG1 3.75Å; Y177-V211 HydrophobicContact CD2-CB 4.34Å; Y177-V211 HydrophobicContact CD2-CG2 4.11Å; Y177-V211 HydrophobicContact CE2-CB 4.43Å; Y177-V211 HydrophobicContact CE2-CG2 3.73Å; R207-V211 PolarHBondContact O-N 2.98Å; R207-V211 VanDerWaalsContact O-N 3.14Å; F208-V211 PolarHBondContact O-N 3.3Å; I209-V211 VanDerWaalsContact C-N 3.35Å; I209-V211 PolarHBondContact O-N 2.9Å; V211-L214 PolarHBondContact O-N 3.42Å; V211-L215 HydrophobicContact CG1-CD1 3.96Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.17Å; V211-L215 PolarHBondContact O-N 2.89Å
212	C	96.7	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.5	-38.9	177	-72.2	0	0	0	0	112.8	F208 I209 V210 L215 N216 K217 V221	F208-C212 VanDerWaalsContact CD2-SG 3.6Å; F208-C212 WeakPolarHBondContact CE2-SG 3.41Å; F208-C212 PolarHBondContact O-N 3.2Å; F208-C212 PolarHBondContact O-SG 2.96Å; F208-C212 VanDerWaalsContact O-SG 3.41Å; I209-C212 PolarHBondContact O-N 3.19Å; V210-C212 VanDerWaalsContact C-N 3.34Å; V210-C212 PolarHBondContact O-N 2.81Å; C212-L215 CarbonylContact O-C 3.57Å; C212-L215 PolarHBondContact O-N 3.18Å; C212-N216 PolarHBondContact O-N 3.04Å; C212-N216 VanDerWaalsContact O-N 3.09Å; C212-K217 HydrophobicContact CB-CB 4.3Å; C212-K217 PolarHBondContact O-N 3.37Å; C212-V221 HydrophobicContact CB-CG2 3.47Å; C212-V221 VanDerWaalsContact CB-CG2 3.47Å
213	L	94.9	Very high	95.7	Very high	8 Å²	8	35 Å²	35	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-60.9	-49.2	174.4	-75.1	168.6	0	0	0	111	I209 V210 L215 N216 M218 V221 F257 I258 F313	I209-L213 HydrophobicContact CG2-CD1 3.93Å; I209-L213 HydrophobicContact CG2-CG 4.33Å; I209-L213 WeakPolarHBondContact O-CG 3.29Å; I209-L213 PolarHBondContact O-N 2.95Å; V210-L213 PolarHBondContact O-N 3.37Å; L213-L215 VanDerWaalsContact C-N 3.31Å; L213-L215 PolarHBondContact O-N 2.97Å; L213-N216 PolarHBondContact O-N 2.91Å; L213-M218 HydrophobicContact CD2-CE 4.07Å; L213-M218 HydrophobicContact CD2-SD 3.86Å; L213-V221 HydrophobicContact CD2-CG1 4.07Å; L213-V221 HydrophobicContact CD2-CG2 4.03Å; L213-V221 HydrophobicContact CG-CG1 4.41Å; L213-V221 HydrophobicContact CG-CG2 4Å; L213-F257 HydrophobicContact CD1-CD1 4.14Å; L213-F257 HydrophobicContact CD1-CE1 4.25Å; L213-F257 HydrophobicContact CD2-CD1 4.23Å; L213-F257 HydrophobicContact CD2-CE1 4.36Å; L213-I258 HydrophobicContact CD2-CG1 4.38Å; L213-F313 HydrophobicContact CD1-CD1 3.63Å; L213-F313 HydrophobicContact CD1-CE1 4.02Å
214	L	94.5	Very high	95.8	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	14%	0.143	C	C	.	.	H	α-helix	trans	-61.4	-39	178.6	-67.4	171.7	0	0	0	112.1	Y158 Y161 L170 V210 V211 N216 R278 L316 F321 L324 Q325	Y158-L214 HydrophobicContact CE2-CD1 3.77Å; Y161-L214 HydrophobicContact CE1-CD1 3.98Å; L170-L214 HydrophobicContact CD1-CB 4.42Å; L170-L214 HydrophobicContact CD1-CD1 4.06Å; L170-L214 HydrophobicContact CD2-CB 3.55Å; L170-L214 HydrophobicContact CD2-CD1 4.36Å; V210-L214 HydrophobicContact CG1-CD1 4.02Å; V210-L214 WeakPolarHBondContact O-CG 3.44Å; V210-L214 PolarHBondContact O-N 3.35Å; V211-L214 PolarHBondContact O-N 3.42Å; L214-N216 PolarHBondContact O-N 3.15Å; L214-R278 PolarHBondContact O-NH2 3.09Å; L214-L316 HydrophobicContact CD2-CD2 4.12Å; L214-F321 HydrophobicContact CD2-CD2 4.19Å; L214-F321 HydrophobicContact CD2-CE2 4.25Å; L214-L324 HydrophobicContact CD2-CD2 3.46Å; L214-L324 VanDerWaalsContact CD2-CD2 3.46Å; L214-Q325 PolarHBondContact O-OE1 3.01Å; L214-Q325 VanDerWaalsContact O-OE1 3.11Å
215	L	93.7	Very high	95.8	Very high	20 Å²	20	30 Å²	30	11%	0.105	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	4.8	175.1	-67.9	174.7	0	0	0	114.4	L170 F174 V211 C212 L213 K217	L170-L215 HydrophobicContact CB-CD2 4.3Å; L170-L215 HydrophobicContact CD2-CD2 3.61Å; L170-L215 HydrophobicContact CD2-CG 3.74Å; L170-L215 HydrophobicContact CG-CD1 4.27Å; L170-L215 HydrophobicContact CG-CD2 3.84Å; L170-L215 HydrophobicContact CG-CG 3.82Å; F174-L215 HydrophobicContact CB-CD1 3.52Å; F174-L215 HydrophobicContact CD2-CD1 4.17Å; F174-L215 HydrophobicContact CG-CD1 3.94Å; V211-L215 HydrophobicContact CG1-CD1 3.96Å; V211-L215 WeakPolarHBondContact O-CB 3.31Å; V211-L215 WeakPolarHBondContact O-CG 3.17Å; V211-L215 PolarHBondContact O-N 2.89Å; C212-L215 CarbonylContact O-C 3.57Å; C212-L215 PolarHBondContact O-N 3.18Å; L213-L215 VanDerWaalsContact C-N 3.31Å; L213-L215 PolarHBondContact O-N 2.97Å; L215-K217 VanDerWaalsContact C-N 3.25Å; L215-K217 HydrophobicContact CB-CD 4.36Å; L215-K217 HydrophobicContact CB-CG 4.15Å; L215-K217 PolarHBondContact O-N 3.43Å
216	N	91.8	Very high	95.8	Very high	39 Å²	39	36 Å²	36	21%	0.209	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	33.9	-178.4	-154.6	21.4	0	0	0	114.1	C212 L213 L214 M218 I274 T275	C212-N216 PolarHBondContact O-N 3.04Å; C212-N216 VanDerWaalsContact O-N 3.09Å; L213-N216 PolarHBondContact O-N 2.91Å; L214-N216 PolarHBondContact O-N 3.15Å; N216-M218 PolarHBondContact O-N 2.86Å; N216-I274 VanDerWaalsContact CG-CG2 3.44Å; N216-I274 WeakPolarHBondContact ND2-CG2 3.47Å; N216-I274 WeakPolarHBondContact OD1-CG2 3.37Å; N216-T275 PolarHBondContact ND2-O 3.01Å
217	K	93.3	Very high	95.7	Very high	76 Å²	76	37.4 Å²	37.4	33%	0.33	18%	0.18	S	C	.	.			trans	-93.5	61.3	179	-68	-175.6	179.1	-67.8	0	111.3	F174 C212 L215 D219 V220 V221	F174-K217 HydrophobicContact CD2-CD 3.75Å; F174-K217 HydrophobicContact CE1-CD 4.24Å; F174-K217 HydrophobicContact CE2-CD 3.29Å; F174-K217 HydrophobicContact CG-CD 4.42Å; F174-K217 HydrophobicContact CZ-CD 3.57Å; C212-K217 HydrophobicContact CB-CB 4.3Å; C212-K217 PolarHBondContact O-N 3.37Å; L215-K217 VanDerWaalsContact C-N 3.25Å; L215-K217 HydrophobicContact CB-CD 4.36Å; L215-K217 HydrophobicContact CB-CG 4.15Å; L215-K217 PolarHBondContact O-N 3.43Å; K217-D219 VanDerWaalsContact C-N 3.3Å; K217-D219 PolarHBondContact O-N 3.46Å; K217-V220 HydrophobicContact CB-CB 4.38Å; K217-V220 HydrophobicContact CB-CG2 4.29Å; K217-V220 PolarHBondContact O-N 3.2Å; K217-V220 VanDerWaalsContact O-N 3.12Å; K217-V221 PolarHBondContact O-N 3.31Å; K217-V221 VanDerWaalsContact O-N 3.1Å
218	M	92.1	Very high	95.7	Very high	30 Å²	30	34.2 Å²	34.2	15%	0.148	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-29.2	-168.9	-58.5	-60.7	-66.4	0	0	114.6	L213 N216 V220 V221 K222 I258 I274	L213-M218 HydrophobicContact CD2-CE 4.07Å; L213-M218 HydrophobicContact CD2-SD 3.86Å; N216-M218 PolarHBondContact O-N 2.86Å; M218-V220 VanDerWaalsContact C-N 3.32Å; M218-V220 PolarHBondContact O-N 3.18Å; M218-V221 WeakPolarHBondContact O-CB 3.31Å; M218-V221 PolarHBondContact O-N 3.39Å; M218-V221 HydrophobicContact SD-CG2 4.35Å; M218-K222 WeakPolarHBondContact O-CG 3.47Å; M218-K222 PolarHBondContact O-N 3.18Å; M218-I258 HydrophobicContact CE-CB 4.25Å; M218-I258 HydrophobicContact CE-CG1 3.96Å; M218-I258 HydrophobicContact CE-CG2 3.74Å; M218-I274 HydrophobicContact CB-CD1 3.53Å; M218-I274 HydrophobicContact CB-CG1 3.9Å; M218-I274 HydrophobicContact CG-CD1 4.07Å; M218-I274 HydrophobicContact CG-CG1 4.08Å; M218-I274 HydrophobicContact CG-CG2 4Å
219	D	92.4	Very high	95.6	Very high	98 Å²	98	36.5 Å²	36.5	52%	0.524	18%	0.184	S	C	.	.	H	α-helix	trans	-62.8	-42.6	175.5	-57.6	-40.2	0	0	0	111.1	K217 V221 K222 D223	K217-D219 VanDerWaalsContact C-N 3.3Å; K217-D219 PolarHBondContact O-N 3.46Å; D219-V221 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 3.41Å; D219-K222 PolarHBondContact O-N 2.91Å; D219-D223 PolarHBondContact O-N 3.13Å
220	V	96	Very high	95.4	Very high	35 Å²	35	40.6 Å²	40.6	21%	0.212	21%	0.206	C	C	.	.	H	α-helix	trans	-67	-37.8	175	-173.3	0	0	0	0	110.7	F208 K217 M218 K222 D223 L224	F208-V220 HydrophobicContact CZ-CG1 4.32Å; K217-V220 HydrophobicContact CB-CB 4.38Å; K217-V220 HydrophobicContact CB-CG2 4.29Å; K217-V220 PolarHBondContact O-N 3.2Å; K217-V220 VanDerWaalsContact O-N 3.12Å; M218-V220 VanDerWaalsContact C-N 3.32Å; M218-V220 PolarHBondContact O-N 3.18Å; V220-K222 PolarHBondContact O-N 3.31Å; V220-D223 PolarHBondContact O-N 3.4Å; V220-L224 HydrophobicContact CG1-CD1 3.84Å; V220-L224 HydrophobicContact CG1-CG 4.11Å; V220-L224 WeakPolarHBondContact O-CB 3.38Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 2.75Å
221	V	96.7	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.6	-47.8	175.6	172.5	0	0	0	0	110.9	I209 C212 L213 K217 M218 D219 D223 L224 V225 I258	I209-V221 HydrophobicContact CG2-CG1 4.25Å; C212-V221 HydrophobicContact CB-CG2 3.47Å; C212-V221 VanDerWaalsContact CB-CG2 3.47Å; L213-V221 HydrophobicContact CD2-CG1 4.07Å; L213-V221 HydrophobicContact CD2-CG2 4.03Å; L213-V221 HydrophobicContact CG-CG1 4.41Å; L213-V221 HydrophobicContact CG-CG2 4Å; K217-V221 PolarHBondContact O-N 3.31Å; K217-V221 VanDerWaalsContact O-N 3.1Å; M218-V221 WeakPolarHBondContact O-CB 3.31Å; M218-V221 PolarHBondContact O-N 3.39Å; M218-V221 HydrophobicContact SD-CG2 4.35Å; D219-V221 VanDerWaalsContact C-N 3.33Å; D219-V221 PolarHBondContact O-N 3.41Å; V221-D223 VanDerWaalsContact C-N 3.34Å; V221-D223 PolarHBondContact O-N 3.07Å; V221-L224 PolarHBondContact O-N 3.02Å; V221-V225 HydrophobicContact CG1-CG2 4.2Å; V221-V225 VanDerWaalsContact O-CG2 3.29Å; V221-V225 WeakPolarHBondContact O-CG2 3.49Å; V221-V225 PolarHBondContact O-N 3.22Å; V221-I258 HydrophobicContact CG1-CD1 3.45Å; V221-I258 VanDerWaalsContact CG1-CD1 3.45Å; V221-I258 HydrophobicContact CG1-CG1 3.96Å
222	K	94.5	Very high	95.1	Very high	95 Å²	95	41.8 Å²	41.8	41%	0.413	21%	0.211	S	C	.	.	H	α-helix	trans	-58.5	-45.8	179.9	-71	171.6	-177.1	173.2	0	111.7	M218 D219 V220 V225 K226	M218-K222 WeakPolarHBondContact O-CG 3.47Å; M218-K222 PolarHBondContact O-N 3.18Å; D219-K222 PolarHBondContact O-N 2.91Å; V220-K222 PolarHBondContact O-N 3.31Å; K222-V225 PolarHBondContact O-N 3.08Å; K222-K226 PolarHBondContact O-N 2.94Å
223	D	96.8	Very high	94.9	Very high	81 Å²	81	48.2 Å²	48.2	43%	0.433	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-48	175.2	-71.2	-8.7	0	0	0	111.9	R181 D219 V220 V221 V225 K226 E227	R181-D223 IonicContact NH1-OD2 3.84Å; R181-D223 IonicContact NH2-OD2 3.35Å; R181-D223 PolarHBondContact NH2-OD2 3.39Å; D219-D223 PolarHBondContact O-N 3.13Å; V220-D223 PolarHBondContact O-N 3.4Å; V221-D223 VanDerWaalsContact C-N 3.34Å; V221-D223 PolarHBondContact O-N 3.07Å; D223-V225 VanDerWaalsContact C-N 3.33Å; D223-V225 PolarHBondContact O-N 2.74Å; D223-K226 PolarHBondContact O-N 2.99Å; D223-E227 WeakPolarHBondContact O-CG 3.24Å; D223-E227 PolarHBondContact O-N 3.21Å
224	L	97.8	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-34	-176.8	-70.7	174	0	0	0	112.7	Y205 F208 I209 V220 V221 L228	Y205-L224 HydrophobicContact CD1-CD2 3.84Å; Y205-L224 HydrophobicContact CE1-CD2 3.77Å; F208-L224 HydrophobicContact CB-CD1 4.09Å; F208-L224 HydrophobicContact CD1-CD1 3.47Å; F208-L224 VanDerWaalsContact CD1-CD1 3.47Å; F208-L224 HydrophobicContact CD1-CD2 3.46Å; F208-L224 VanDerWaalsContact CD1-CD2 3.46Å; F208-L224 HydrophobicContact CD1-CG 4.12Å; F208-L224 HydrophobicContact CD2-CD1 4.08Å; F208-L224 HydrophobicContact CE1-CD1 3.84Å; F208-L224 HydrophobicContact CE1-CD2 3.72Å; F208-L224 HydrophobicContact CE1-CG 4.35Å; F208-L224 HydrophobicContact CE2-CD1 4.41Å; F208-L224 HydrophobicContact CG-CD1 3.59Å; F208-L224 HydrophobicContact CG-CD2 4.36Å; F208-L224 HydrophobicContact CZ-CD1 4.29Å; I209-L224 HydrophobicContact CD1-CB 4.24Å; I209-L224 HydrophobicContact CG1-CB 3.65Å; I209-L224 HydrophobicContact CG1-CD1 4.14Å; V220-L224 HydrophobicContact CG1-CD1 3.84Å; V220-L224 HydrophobicContact CG1-CG 4.11Å; V220-L224 WeakPolarHBondContact O-CB 3.38Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 2.75Å; V221-L224 PolarHBondContact O-N 3.02Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 PolarHBondContact O-N 3.2Å
225	V	97.1	Very high	94.5	Very high	26 Å²	26	50.3 Å²	50.3	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-42.8	175.7	170.1	0	0	0	0	110.7	I209 V221 K222 D223 L228 S229 V254 I258	I209-V225 HydrophobicContact CD1-CG2 4.01Å; V221-V225 HydrophobicContact CG1-CG2 4.2Å; V221-V225 VanDerWaalsContact O-CG2 3.29Å; V221-V225 WeakPolarHBondContact O-CG2 3.49Å; V221-V225 PolarHBondContact O-N 3.22Å; K222-V225 PolarHBondContact O-N 3.08Å; D223-V225 VanDerWaalsContact C-N 3.33Å; D223-V225 PolarHBondContact O-N 2.74Å; V225-L228 PolarHBondContact O-N 3.11Å; V225-S229 WeakPolarHBondContact O-CB 3.46Å; V225-S229 PolarHBondContact O-N 3.32Å; V225-V254 HydrophobicContact CG2-CB 4.43Å; V225-V254 HydrophobicContact CG2-CG1 3.37Å; V225-I258 HydrophobicContact CG2-CD1 3.97Å
226	K	96.9	Very high	94.3	Very high	144 Å²	144	50.3 Å²	50.3	63%	0.626	25%	0.252	S	S	*	.	H	α-helix	trans	-61.5	-50.6	174.7	-175.7	-179.8	176.7	-178.3	0	111	K222 D223 L228 S229 D230	K222-K226 PolarHBondContact O-N 2.94Å; D223-K226 PolarHBondContact O-N 2.99Å; K226-L228 VanDerWaalsContact C-N 3.32Å; K226-L228 PolarHBondContact O-N 3.3Å; K226-S229 WeakPolarHBondContact O-CB 3.21Å; K226-S229 PolarHBondContact O-N 3.14Å; K226-S229 VanDerWaalsContact O-N 3.12Å; K226-D230 PolarHBondContact O-N 2.89Å
227	E	96.2	Very high	94.2	Very high	50 Å²	50	56.2 Å²	56.2	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-42.6	176.8	-72.2	178.4	-155.3	0	0	112	R181 Y205 D223 S229 D230 E231	R181-E227 IonicContact CZ-OE1 3.9Å; R181-E227 IonicContact NE-OE1 3.95Å; R181-E227 PolarHBondContact NE-OE1 3.05Å; R181-E227 IonicContact NE-OE2 3.63Å; R181-E227 PolarHBondContact NE-OE2 2.72Å; R181-E227 IonicContact NH2-OE1 2.73Å; R181-E227 PolarHBondContact NH2-OE1 3.17Å; Y205-E227 HydrophobicContact CE1-CB 3.74Å; Y205-E227 WeakPolarHBondContact CE1-OE2 3.34Å; Y205-E227 PolarHBondContact OH-OE2 3.38Å; D223-E227 WeakPolarHBondContact O-CG 3.24Å; D223-E227 PolarHBondContact O-N 3.21Å; E227-S229 VanDerWaalsContact C-N 3.32Å; E227-S229 PolarHBondContact O-N 2.79Å; E227-D230 PolarHBondContact O-N 3.34Å; E227-E231 WeakPolarHBondContact O-CG 3.4Å; E227-E231 PolarHBondContact O-N 3.37Å
228	L	96.3	Very high	94	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-38.7	177	177.1	58.7	0	0	0	111.9	L202 Y205 I209 L224 V225 K226 E231 I232 L251	L202-L228 HydrophobicContact CB-CD1 4.39Å; L202-L228 HydrophobicContact CD2-CD1 3.82Å; Y205-L228 HydrophobicContact CG-CB 4.41Å; Y205-L228 HydrophobicContact CG-CD1 4.43Å; I209-L228 HydrophobicContact CD1-CB 4.47Å; I209-L228 HydrophobicContact CD1-CD2 3.72Å; L224-L228 WeakPolarHBondContact O-CB 3.33Å; L224-L228 PolarHBondContact O-N 3.2Å; V225-L228 PolarHBondContact O-N 3.11Å; K226-L228 VanDerWaalsContact C-N 3.32Å; K226-L228 PolarHBondContact O-N 3.3Å; L228-E231 PolarHBondContact O-N 3.36Å; L228-I232 HydrophobicContact CD1-CD1 3.77Å; L228-I232 HydrophobicContact CD1-CG1 4.06Å; L228-I232 HydrophobicContact CD2-CD1 4.49Å; L228-I232 HydrophobicContact CG-CD1 3.78Å; L228-I232 HydrophobicContact CG-CG1 4.47Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; L228-I232 PolarHBondContact O-N 3.46Å; L228-L251 HydrophobicContact CB-CD2 4.33Å; L228-L251 HydrophobicContact CD2-CD2 4.01Å; L228-L251 HydrophobicContact CG-CD2 3.89Å
229	S	96.5	Very high	93.8	Very high	49 Å²	49	58.5 Å²	58.5	34%	0.343	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-50.1	175.6	-171	0	0	0	0	111.3	V225 K226 E227 E231 I232 E233	V225-S229 WeakPolarHBondContact O-CB 3.46Å; V225-S229 PolarHBondContact O-N 3.32Å; K226-S229 WeakPolarHBondContact O-CB 3.21Å; K226-S229 PolarHBondContact O-N 3.14Å; K226-S229 VanDerWaalsContact O-N 3.12Å; E227-S229 VanDerWaalsContact C-N 3.32Å; E227-S229 PolarHBondContact O-N 2.79Å; S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 PolarHBondContact O-N 3.28Å; S229-I232 PolarHBondContact O-N 3.17Å; S229-E233 PolarHBondContact O-N 3.38Å
230	D	95.1	Very high	93.1	Very high	87 Å²	87	60.7 Å²	60.7	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-39.5	179.3	-61.1	-17.9	0	0	0	111.1	K226 E227 E233 D234	K226-D230 PolarHBondContact O-N 2.89Å; E227-D230 PolarHBondContact O-N 3.34Å; D230-E233 PolarHBondContact O-N 2.87Å; D230-D234 PolarHBondContact O-N 3.09Å; D230-D234 VanDerWaalsContact O-N 3.09Å
231	E	93.7	Very high	92.3	Very high	33 Å²	33	60.5 Å²	60.5	15%	0.154	30%	0.295	C	S	.	.	H	α-helix	trans	-70.9	-34.5	178.3	-66.9	-69.7	165.9	0	0	113.5	K201 L202 Y205 E227 L228 S229 Y235	K201-E231 VanDerWaalsContact CE-OE1 3.29Å; K201-E231 WeakPolarHBondContact CE-OE1 3.44Å; K201-E231 VanDerWaalsContact CE-OE2 3.25Å; K201-E231 WeakPolarHBondContact CE-OE2 3.39Å; K201-E231 IonicContact NZ-OE1 2.81Å; K201-E231 PolarHBondContact NZ-OE1 3Å; K201-E231 IonicContact NZ-OE2 3.64Å; K201-E231 PolarHBondContact NZ-OE2 3.4Å; L202-E231 HydrophobicContact CD2-CB 3.69Å; Y205-E231 HydrophobicContact CE2-CG 4.12Å; E227-E231 WeakPolarHBondContact O-CG 3.4Å; E227-E231 PolarHBondContact O-N 3.37Å; L228-E231 PolarHBondContact O-N 3.36Å; S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 PolarHBondContact O-N 3.28Å; E231-Y235 WeakPolarHBondContact O-CB 3.31Å; E231-Y235 PolarHBondContact O-N 3.05Å
232	I	93.5	Very high	91.6	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-39.5	175.3	-72.1	165	0	0	0	110.4	L202 L228 S229 Y235 T236 W247 L251	L202-I232 HydrophobicContact CD1-CG1 4.2Å; L202-I232 HydrophobicContact CD2-CG1 3.89Å; L228-I232 HydrophobicContact CD1-CD1 3.77Å; L228-I232 HydrophobicContact CD1-CG1 4.06Å; L228-I232 HydrophobicContact CD2-CD1 4.49Å; L228-I232 HydrophobicContact CG-CD1 3.78Å; L228-I232 HydrophobicContact CG-CG1 4.47Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; L228-I232 PolarHBondContact O-N 3.46Å; S229-I232 PolarHBondContact O-N 3.17Å; I232-Y235 PolarHBondContact O-N 3.31Å; I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 3.09Å; I232-T236 PolarHBondContact O-OG1 3.28Å; I232-W247 HydrophobicContact CD1-CB 3.9Å; I232-W247 HydrophobicContact CD1-CE3 4.24Å; I232-W247 HydrophobicContact CG1-CB 4.07Å; I232-W247 HydrophobicContact CG1-CG 4.46Å; I232-W247 HydrophobicContact CG2-CB 3.91Å; I232-L251 HydrophobicContact CB-CD1 4.49Å; I232-L251 HydrophobicContact CD1-CD1 3.66Å; I232-L251 HydrophobicContact CD1-CD2 4.06Å; I232-L251 HydrophobicContact CD1-CG 3.65Å
233	E	92.8	Very high	91.2	Very high	135 Å²	135	67.1 Å²	67.1	63%	0.631	33%	0.329	S	S	*	.	H	α-helix	trans	-61.9	-49.7	176.2	-172.4	177	177.8	0	0	111	S229 D230 Y235 T236 H237	S229-E233 PolarHBondContact O-N 3.38Å; D230-E233 PolarHBondContact O-N 2.87Å; E233-Y235 PolarHBondContact O-N 3.43Å; E233-T236 PolarHBondContact O-N 2.92Å; E233-H237 WeakPolarHBondContact O-CB 3.39Å; E233-H237 PolarHBondContact O-N 3.02Å
234	D	91.4	Very high	90.7	Very high	46 Å²	46	66.7 Å²	66.7	25%	0.246	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-41.4	177.1	-171.2	38.4	0	0	0	112	N190 D230 R238	N190-D234 PolarHBondContact ND2-OD2 2.89Å; D230-D234 PolarHBondContact O-N 3.09Å; D230-D234 VanDerWaalsContact O-N 3.09Å; D234-R238 WeakPolarHBondContact O-CB 3.5Å; D234-R238 WeakPolarHBondContact O-CG 3.37Å; D234-R238 PolarHBondContact O-N 2.99Å; D234-R238 VanDerWaalsContact O-N 3.09Å; D234-R238 IonicContact OD1-CZ 3.02Å; D234-R238 IonicContact OD1-NE 3.41Å; D234-R238 PolarHBondContact OD1-NE 3.4Å; D234-R238 IonicContact OD1-NH1 3.2Å; D234-R238 PolarHBondContact OD1-NH1 3.26Å; D234-R238 IonicContact OD1-NH2 2.81Å; D234-R238 PolarHBondContact OD1-NH2 2.97Å; D234-R238 IonicContact OD2-CZ 2.99Å; D234-R238 IonicContact OD2-NE 3.99Å; D234-R238 IonicContact OD2-NH1 2.95Å; D234-R238 PolarHBondContact OD2-NH1 2.96Å; D234-R238 IonicContact OD2-NH2 2.86Å; D234-R238 PolarHBondContact OD2-NH2 2.81Å
235	Y	90.8	Very high	90.3	Very high	10 Å²	10	72 Å²	72	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-49.1	175.2	175.2	-117.6	0	0	0	112	P195 V198 V199 L202 E231 I232 E233 R238 F239 T241 D243	P195-Y235 HydrophobicContact CB-CE2 4Å; V198-Y235 HydrophobicContact CB-CD2 3.76Å; V198-Y235 HydrophobicContact CB-CE2 4.21Å; V198-Y235 HydrophobicContact CG1-CD2 3.49Å; V198-Y235 VanDerWaalsContact CG1-CD2 3.49Å; V198-Y235 HydrophobicContact CG1-CE2 4.34Å; V198-Y235 HydrophobicContact CG1-CG 3.9Å; V198-Y235 HydrophobicContact CG2-CD2 4.42Å; V199-Y235 HydrophobicContact CG2-CE1 4.49Å; V199-Y235 HydrophobicContact CG2-CE2 4.22Å; V199-Y235 WeakPolarHBondContact CG2-OH 3.38Å; L202-Y235 HydrophobicContact CD1-CD1 3.94Å; L202-Y235 HydrophobicContact CD1-CE1 4.42Å; L202-Y235 HydrophobicContact CD1-CG 4.19Å; E231-Y235 WeakPolarHBondContact O-CB 3.31Å; E231-Y235 PolarHBondContact O-N 3.05Å; I232-Y235 PolarHBondContact O-N 3.31Å; E233-Y235 PolarHBondContact O-N 3.43Å; Y235-R238 PolarHBondContact O-N 3.31Å; Y235-F239 AromaticContact CD2-CD2 3.51Å; Y235-F239 HydrophobicContact CD2-CD2 3.51Å; Y235-F239 HydrophobicContact CD2-CE2 4.08Å; Y235-F239 HydrophobicContact CD2-CG 4.45Å; Y235-F239 HydrophobicContact CE2-CB 4.39Å; Y235-F239 AromaticContact CE2-CD2 3.73Å; Y235-F239 HydrophobicContact CE2-CD2 3.73Å; Y235-F239 HydrophobicContact CE2-CE2 4.42Å; Y235-F239 HydrophobicContact CE2-CG 4.3Å; Y235-F239 WeakPolarHBondContact O-CD2 3.33Å; Y235-F239 PolarHBondContact O-N 3.1Å; Y235-T241 HydrophobicContact CE1-CG2 4.4Å; Y235-T241 WeakPolarHBondContact CE1-OG1 3.42Å; Y235-T241 HydrophobicContact CE2-CG2 4.44Å; Y235-D243 WeakPolarHBondContact CE1-OD1 3.36Å; Y235-D243 PolarHBondContact OH-OD1 3.49Å; Y235-D243 PolarHBondContact OH-OD2 3.36Å
236	T	89.6	Confident	90	Very high	19 Å²	19	77.3 Å²	77.3	12%	0.117	38%	0.38	C	S	.	.	H	α-helix	trans	-62.6	-48.6	-179.5	-56.9	0	0	0	0	110.9	I232 E233 R238 N240 Q244	I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 3.09Å; I232-T236 PolarHBondContact O-OG1 3.28Å; E233-T236 PolarHBondContact O-N 2.92Å; T236-R238 VanDerWaalsContact C-N 3.28Å; T236-R238 PolarHBondContact O-N 3.07Å; T236-N240 WeakPolarHBondContact O-CA 3.14Å; T236-N240 PolarHBondContact O-N 2.9Å; T236-Q244 HydrophobicContact CG2-CB 4.21Å; T236-Q244 HydrophobicContact CG2-CG 3.71Å; T236-Q244 VanDerWaalsContact CG2-NE2 3.34Å; T236-Q244 WeakPolarHBondContact OG1-CG 3.39Å
237	H	89.3	Confident	89.9	Confident	163 Å²	163	71.7 Å²	71.7	76%	0.755	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-37.5	-177.3	-178.4	-80.1	0	0	0	111.8	E233	E233-H237 WeakPolarHBondContact O-CB 3.39Å; E233-H237 PolarHBondContact O-N 3.02Å
238	R	88.5	Confident	89.7	Confident	109 Å²	109	72 Å²	72	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-76.4	-42.1	-179.7	-76	-170.2	-173.9	126.6	14.7	114.2	N190 D234 Y235 T236	N190-R238 PolarHBondContact ND2-NH1 3.38Å; D234-R238 WeakPolarHBondContact O-CB 3.5Å; D234-R238 WeakPolarHBondContact O-CG 3.37Å; D234-R238 PolarHBondContact O-N 2.99Å; D234-R238 VanDerWaalsContact O-N 3.09Å; D234-R238 IonicContact OD1-CZ 3.02Å; D234-R238 IonicContact OD1-NE 3.41Å; D234-R238 PolarHBondContact OD1-NE 3.4Å; D234-R238 IonicContact OD1-NH1 3.2Å; D234-R238 PolarHBondContact OD1-NH1 3.26Å; D234-R238 IonicContact OD1-NH2 2.81Å; D234-R238 PolarHBondContact OD1-NH2 2.97Å; D234-R238 IonicContact OD2-CZ 2.99Å; D234-R238 IonicContact OD2-NE 3.99Å; D234-R238 IonicContact OD2-NH1 2.95Å; D234-R238 PolarHBondContact OD2-NH1 2.96Å; D234-R238 IonicContact OD2-NH2 2.86Å; D234-R238 PolarHBondContact OD2-NH2 2.81Å; Y235-R238 PolarHBondContact O-N 3.31Å; T236-R238 VanDerWaalsContact C-N 3.28Å; T236-R238 PolarHBondContact O-N 3.07Å
239	F	87.7	Confident	89.6	Confident	45 Å²	45	76.1 Å²	76.1	20%	0.197	38%	0.379	C	S	.	.	H	α-helix	trans	-110.3	-10.1	-166.6	-61.9	-73.6	0	0	0	114.5	D193 P195 V198 Y235 T241	D193-F239 WeakPolarHBondContact OD1-CE1 3.25Å; P195-F239 HydrophobicContact CB-CD1 3.93Å; P195-F239 HydrophobicContact CB-CD2 4.29Å; P195-F239 HydrophobicContact CB-CE1 4.15Å; P195-F239 HydrophobicContact CB-CE2 4.5Å; P195-F239 HydrophobicContact CB-CG 4.01Å; P195-F239 HydrophobicContact CB-CZ 4.43Å; P195-F239 HydrophobicContact CG-CD1 4.22Å; P195-F239 HydrophobicContact CG-CE1 4.34Å; V198-F239 HydrophobicContact CG2-CE2 4Å; Y235-F239 AromaticContact CD2-CD2 3.51Å; Y235-F239 HydrophobicContact CD2-CD2 3.51Å; Y235-F239 HydrophobicContact CD2-CE2 4.08Å; Y235-F239 HydrophobicContact CD2-CG 4.45Å; Y235-F239 HydrophobicContact CE2-CB 4.39Å; Y235-F239 AromaticContact CE2-CD2 3.73Å; Y235-F239 HydrophobicContact CE2-CD2 3.73Å; Y235-F239 HydrophobicContact CE2-CE2 4.42Å; Y235-F239 HydrophobicContact CE2-CG 4.3Å; Y235-F239 WeakPolarHBondContact O-CD2 3.33Å; Y235-F239 PolarHBondContact O-N 3.1Å; F239-T241 HydrophobicContact CB-CG2 3.5Å; F239-T241 VanDerWaalsContact CB-CG2 3.5Å; F239-T241 PolarHBondContact O-N 2.84Å
240	N	78.1	Confident	89.4	Confident	144 Å²	144	75.4 Å²	75.4	77%	0.77	37%	0.373	S	S	*	.			trans	45.9	57.7	180	-172.1	44.3	0	0	0	112.9	T236	T236-N240 WeakPolarHBondContact O-CA 3.14Å; T236-N240 PolarHBondContact O-N 2.9Å
241	T	79.3	Confident	89.4	Confident	31 Å²	31	72.4 Å²	72.4	19%	0.19	36%	0.357	C	S	.	.			trans	-97.1	146.7	-168	57.9	0	0	0	0	113.3	Y235 F239 D243 Q244	Y235-T241 HydrophobicContact CE1-CG2 4.4Å; Y235-T241 WeakPolarHBondContact CE1-OG1 3.42Å; Y235-T241 HydrophobicContact CE2-CG2 4.44Å; F239-T241 HydrophobicContact CB-CG2 3.5Å; F239-T241 VanDerWaalsContact CB-CG2 3.5Å; F239-T241 PolarHBondContact O-N 2.84Å; T241-D243 WeakPolarHBondContact CB-OD1 3.16Å; T241-D243 PolarHBondContact O-N 3.05Å; T241-D243 PolarHBondContact OG1-OD1 2.8Å; T241-Q244 PolarHBondContact O-N 3.45Å
242	E	81	Confident	89.4	Confident	193 Å²	193	77 Å²	77	90%	0.902	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-23	178.4	-62.4	-178.9	172.5	0	0	113	Q244	E242-Q244 PolarHBondContact O-N 2.83Å
243	D	86.4	Confident	89.5	Confident	41 Å²	41	78.6 Å²	78.6	22%	0.219	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.1	-179.7	72.5	-26.1	0	0	0	113.7	Y235 T241 V245 E246 W247	Y235-D243 WeakPolarHBondContact CE1-OD1 3.36Å; Y235-D243 PolarHBondContact OH-OD1 3.49Å; Y235-D243 PolarHBondContact OH-OD2 3.36Å; T241-D243 WeakPolarHBondContact CB-OD1 3.16Å; T241-D243 PolarHBondContact O-N 3.05Å; T241-D243 PolarHBondContact OG1-OD1 2.8Å; D243-V245 PolarHBondContact O-N 3.38Å; D243-E246 WeakPolarHBondContact O-CB 3.43Å; D243-E246 PolarHBondContact O-N 3.01Å; D243-W247 VanDerWaalsContact O-CD1 3.24Å; D243-W247 PolarHBondContact O-N 3.34Å; D243-W247 VanDerWaalsContact O-N 3.13Å; D243-W247 PolarHBondContact OD2-NE1 3.49Å
244	Q	86.6	Confident	89.6	Confident	73 Å²	73	72.2 Å²	72.2	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-52.3	-41.2	173.8	-179.1	-169.5	10	0	0	111.8	T236 T241 E242 E246 W247 N248	T236-Q244 HydrophobicContact CG2-CB 4.21Å; T236-Q244 HydrophobicContact CG2-CG 3.71Å; T236-Q244 VanDerWaalsContact CG2-NE2 3.34Å; T236-Q244 WeakPolarHBondContact OG1-CG 3.39Å; T241-Q244 PolarHBondContact O-N 3.45Å; E242-Q244 PolarHBondContact O-N 2.83Å; Q244-E246 VanDerWaalsContact C-N 3.27Å; Q244-E246 PolarHBondContact O-N 2.87Å; Q244-W247 PolarHBondContact O-N 3.41Å; Q244-N248 WeakPolarHBondContact O-CB 3.37Å; Q244-N248 PolarHBondContact O-N 2.83Å; Q244-N248 PolarHBondContact O-ND2 3.42Å
245	V	89.7	Confident	89.7	Confident	110 Å²	110	71.9 Å²	71.9	67%	0.667	36%	0.359	S	S	*	.	H	α-helix	trans	-62	-38.7	-179.1	-178.7	0	0	0	0	110.9	D243 L249	D243-V245 PolarHBondContact O-N 3.38Å; V245-L249 WeakPolarHBondContact O-CB 3.31Å; V245-L249 PolarHBondContact O-N 3.38Å
246	E	91.7	Very high	89.9	Confident	139 Å²	139	73.1 Å²	73.1	65%	0.65	37%	0.371	S	S	*	.	H	α-helix	trans	-68.5	-41.5	177.5	-59.1	-171.3	167.3	0	0	111.5	D243 Q244 L249 V250	D243-E246 WeakPolarHBondContact O-CB 3.43Å; D243-E246 PolarHBondContact O-N 3.01Å; Q244-E246 VanDerWaalsContact C-N 3.27Å; Q244-E246 PolarHBondContact O-N 2.87Å; E246-L249 WeakPolarHBondContact O-CB 3.43Å; E246-L249 PolarHBondContact O-N 2.93Å; E246-V250 WeakPolarHBondContact O-CG2 3.31Å; E246-V250 PolarHBondContact O-N 3.41Å
247	W	93.6	Very high	90.1	Very high	26 Å²	26	73 Å²	73	10%	0.098	37%	0.369	C	S	.	.	H	α-helix	trans	-67.9	-39.3	177.3	-73.4	114.8	0	0	0	113.1	V199 L202 R203 I232 D243 Q244 L249 V250 L251	V199-W247 HydrophobicContact CG1-CZ2 4.3Å; L202-W247 HydrophobicContact CB-CE3 4.21Å; L202-W247 HydrophobicContact CB-CH2 3.44Å; L202-W247 VanDerWaalsContact CB-CH2 3.44Å; L202-W247 HydrophobicContact CB-CZ2 3.77Å; L202-W247 HydrophobicContact CB-CZ3 3.69Å; L202-W247 HydrophobicContact CD1-CD2 3.86Å; L202-W247 HydrophobicContact CD1-CE3 4.29Å; L202-W247 HydrophobicContact CD1-CG 4.29Å; L202-W247 HydrophobicContact CD1-CH2 4.34Å; L202-W247 HydrophobicContact CD1-CZ2 3.91Å; R203-W247 HydrophobicContact CG-CH2 3.83Å; R203-W247 HydrophobicContact CG-CZ2 4.4Å; I232-W247 HydrophobicContact CD1-CB 3.9Å; I232-W247 HydrophobicContact CD1-CE3 4.24Å; I232-W247 HydrophobicContact CG1-CB 4.07Å; I232-W247 HydrophobicContact CG1-CG 4.46Å; I232-W247 HydrophobicContact CG2-CB 3.91Å; D243-W247 VanDerWaalsContact O-CD1 3.24Å; D243-W247 PolarHBondContact O-N 3.34Å; D243-W247 VanDerWaalsContact O-N 3.13Å; D243-W247 PolarHBondContact OD2-NE1 3.49Å; Q244-W247 PolarHBondContact O-N 3.41Å; W247-L249 VanDerWaalsContact C-N 3.32Å; W247-V250 WeakPolarHBondContact O-CB 3.41Å; W247-V250 PolarHBondContact O-N 3.38Å; W247-L251 PolarHBondContact O-N 3.37Å; W247-L251 VanDerWaalsContact O-N 3.07Å
248	N	92.2	Very high	90.3	Very high	57 Å²	57	67.3 Å²	67.3	31%	0.305	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-39.3	172.7	-76.4	-23.6	0	0	0	111.5	Q244 V250 L251 Q252	Q244-N248 WeakPolarHBondContact O-CB 3.37Å; Q244-N248 PolarHBondContact O-N 2.83Å; Q244-N248 PolarHBondContact O-ND2 3.42Å; N248-V250 VanDerWaalsContact C-N 3.3Å; N248-V250 PolarHBondContact O-N 2.97Å; N248-L251 PolarHBondContact O-N 2.9Å; N248-Q252 WeakPolarHBondContact O-CG 3.31Å; N248-Q252 PolarHBondContact O-N 3.31Å
249	L	93.3	Very high	90.4	Very high	85 Å²	85	68 Å²	68	45%	0.445	35%	0.352	S	S	.	.	H	α-helix	trans	-61.2	-40.6	173	-179.3	64.7	0	0	0	111.1	V245 E246 W247 L251 Q252 E253	V245-L249 WeakPolarHBondContact O-CB 3.31Å; V245-L249 PolarHBondContact O-N 3.38Å; E246-L249 WeakPolarHBondContact O-CB 3.43Å; E246-L249 PolarHBondContact O-N 2.93Å; W247-L249 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 2.77Å; L249-Q252 PolarHBondContact O-N 3.03Å; L249-E253 HydrophobicContact CD1-CG 4.39Å; L249-E253 HydrophobicContact CG-CG 4.41Å; L249-E253 WeakPolarHBondContact O-CB 3.5Å; L249-E253 WeakPolarHBondContact O-CG 3.26Å; L249-E253 PolarHBondContact O-N 2.83Å
250	V	94.3	Very high	90.6	Very high	34 Å²	34	66 Å²	66	21%	0.206	34%	0.344	C	S	.	.	H	α-helix	trans	-58.7	-44.9	174.6	167.3	0	0	0	0	111.6	E246 W247 N248 E253 V254 F313	E246-V250 WeakPolarHBondContact O-CG2 3.31Å; E246-V250 PolarHBondContact O-N 3.41Å; W247-V250 WeakPolarHBondContact O-CB 3.41Å; W247-V250 PolarHBondContact O-N 3.38Å; N248-V250 VanDerWaalsContact C-N 3.3Å; N248-V250 PolarHBondContact O-N 2.97Å; V250-E253 PolarHBondContact O-N 3.18Å; V250-V254 VanDerWaalsContact O-CG2 3.31Å; V250-V254 WeakPolarHBondContact O-CG2 3.22Å; V250-V254 PolarHBondContact O-N 3.39Å; V250-F313 HydrophobicContact CG1-CE2 4.04Å
251	L	94.5	Very high	91.2	Very high	25 Å²	25	62.8 Å²	62.8	13%	0.131	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-44.6	176.5	-72.6	173.9	0	0	0	112.3	L228 I232 W247 N248 L249 E253 V254 A255	L228-L251 HydrophobicContact CB-CD2 4.33Å; L228-L251 HydrophobicContact CD2-CD2 4.01Å; L228-L251 HydrophobicContact CG-CD2 3.89Å; I232-L251 HydrophobicContact CB-CD1 4.49Å; I232-L251 HydrophobicContact CD1-CD1 3.66Å; I232-L251 HydrophobicContact CD1-CD2 4.06Å; I232-L251 HydrophobicContact CD1-CG 3.65Å; W247-L251 PolarHBondContact O-N 3.37Å; W247-L251 VanDerWaalsContact O-N 3.07Å; N248-L251 PolarHBondContact O-N 2.9Å; L249-L251 PolarHBondContact O-N 2.77Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 3.44Å; L251-V254 PolarHBondContact O-N 3.34Å; L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 2.87Å
252	Q	94.1	Very high	91.7	Very high	129 Å²	129	62.4 Å²	62.4	60%	0.603	32%	0.324	S	S	*	.	H	α-helix	trans	-61.3	-43.7	177.1	-70.9	172.9	10.8	0	0	111.4	N248 L249 A255 A256	N248-Q252 WeakPolarHBondContact O-CG 3.31Å; N248-Q252 PolarHBondContact O-N 3.31Å; L249-Q252 PolarHBondContact O-N 3.03Å; Q252-A255 PolarHBondContact O-N 2.99Å; Q252-A256 VanDerWaalsContact O-CB 3.28Å; Q252-A256 WeakPolarHBondContact O-CB 3.23Å; Q252-A256 PolarHBondContact O-N 3.49Å
253	E	94.6	Very high	92.3	Very high	37 Å²	37	53.4 Å²	53.4	17%	0.173	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-47.7	175.9	-81.9	-170.6	175.8	0	0	111.4	L249 V250 L251 F257 K312 F313	L249-E253 HydrophobicContact CD1-CG 4.39Å; L249-E253 HydrophobicContact CG-CG 4.41Å; L249-E253 WeakPolarHBondContact O-CB 3.5Å; L249-E253 WeakPolarHBondContact O-CG 3.26Å; L249-E253 PolarHBondContact O-N 2.83Å; V250-E253 PolarHBondContact O-N 3.18Å; L251-E253 VanDerWaalsContact C-N 3.34Å; L251-E253 PolarHBondContact O-N 3.44Å; E253-F257 VanDerWaalsContact O-CB 3.23Å; E253-F257 WeakPolarHBondContact O-CB 3.38Å; E253-F257 PolarHBondContact O-N 2.74Å; E253-K312 VanDerWaalsContact CB-O 3.31Å; E253-K312 WeakPolarHBondContact CB-O 3.33Å; E253-K312 VanDerWaalsContact CD-NZ 3.33Å; E253-K312 IonicContact OE1-NZ 3.57Å; E253-K312 PolarHBondContact OE1-NZ 2.78Å; E253-K312 IonicContact OE2-NZ 3.2Å; E253-K312 PolarHBondContact OE2-NZ 3.39Å; E253-F313 HydrophobicContact CB-CD2 4.46Å
254	V	95.1	Very high	92.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-45.6	178.8	178.9	0	0	0	0	111.9	I209 V225 V250 L251 F257 I258 F313	I209-V254 HydrophobicContact CG2-CG1 3.92Å; I209-V254 HydrophobicContact CG2-CG2 4.37Å; V225-V254 HydrophobicContact CG2-CB 4.43Å; V225-V254 HydrophobicContact CG2-CG1 3.37Å; V250-V254 VanDerWaalsContact O-CG2 3.31Å; V250-V254 WeakPolarHBondContact O-CG2 3.22Å; V250-V254 PolarHBondContact O-N 3.39Å; L251-V254 PolarHBondContact O-N 3.34Å; V254-F257 WeakPolarHBondContact O-CB 3.33Å; V254-F257 PolarHBondContact O-N 3.16Å; V254-I258 HydrophobicContact CG1-CD1 3.68Å; V254-I258 HydrophobicContact CG1-CG1 4.33Å; V254-I258 VanDerWaalsContact O-CG1 3.3Å; V254-I258 WeakPolarHBondContact O-CG1 3.16Å; V254-I258 PolarHBondContact O-N 3.08Å; V254-F313 HydrophobicContact CB-CD2 4.49Å; V254-F313 HydrophobicContact CG2-CD1 3.91Å; V254-F313 HydrophobicContact CG2-CD2 3.29Å; V254-F313 HydrophobicContact CG2-CE1 3.75Å; V254-F313 HydrophobicContact CG2-CE2 3.15Å; V254-F313 HydrophobicContact CG2-CG 3.69Å; V254-F313 HydrophobicContact CG2-CZ 3.38Å
255	A	94.3	Very high	93	Very high	38 Å²	38	52.6 Å²	52.6	31%	0.314	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-49.3	179.3	0	0	0	0	0	111.1	L251 Q252 F257 I258 E259	L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 2.87Å; Q252-A255 PolarHBondContact O-N 2.99Å; A255-F257 PolarHBondContact O-N 3.32Å; A255-I258 PolarHBondContact O-N 3.04Å; A255-E259 WeakPolarHBondContact O-CG 3.29Å; A255-E259 PolarHBondContact O-N 3Å; A255-E259 VanDerWaalsContact O-N 3.1Å
256	A	94	Very high	93.2	Very high	36 Å²	36	48.5 Å²	48.5	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-35.8	176.3	0	0	0	0	0	112.2	Q252 E259 A260 V311	Q252-A256 VanDerWaalsContact O-CB 3.28Å; Q252-A256 WeakPolarHBondContact O-CB 3.23Å; Q252-A256 PolarHBondContact O-N 3.49Å; A256-E259 PolarHBondContact O-N 3.34Å; A256-A260 PolarHBondContact O-N 2.97Å; A256-V311 HydrophobicContact CB-CG1 3.84Å; A256-V311 HydrophobicContact CB-CG2 3.98Å
257	F	95.1	Very high	93.3	Very high	16 Å²	16	43.8 Å²	43.8	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-40.4	178.6	-165.9	-82.3	0	0	0	112.3	L213 E253 V254 A255 E259 A260 V311 F313 L316 V318 F321	L213-F257 HydrophobicContact CD1-CD1 4.14Å; L213-F257 HydrophobicContact CD1-CE1 4.25Å; L213-F257 HydrophobicContact CD2-CD1 4.23Å; L213-F257 HydrophobicContact CD2-CE1 4.36Å; E253-F257 VanDerWaalsContact O-CB 3.23Å; E253-F257 WeakPolarHBondContact O-CB 3.38Å; E253-F257 PolarHBondContact O-N 2.74Å; V254-F257 WeakPolarHBondContact O-CB 3.33Å; V254-F257 PolarHBondContact O-N 3.16Å; A255-F257 PolarHBondContact O-N 3.32Å; F257-E259 VanDerWaalsContact C-N 3.31Å; F257-A260 VanDerWaalsContact O-CB 3.3Å; F257-A260 WeakPolarHBondContact O-CB 3.34Å; F257-A260 PolarHBondContact O-N 3.28Å; F257-V311 HydrophobicContact CB-CG1 3.99Å; F257-V311 HydrophobicContact CD2-CG1 4.23Å; F257-F313 HydrophobicContact CB-CB 4.28Å; F257-F313 HydrophobicContact CD2-CB 4.01Å; F257-F313 HydrophobicContact CG-CB 4.17Å; F257-L316 WeakPolarHBondContact CE2-O 2.88Å; F257-V318 HydrophobicContact CD2-CG2 3.95Å; F257-V318 HydrophobicContact CE2-CG2 4.04Å; F257-F321 HydrophobicContact CE1-CD1 4.19Å; F257-F321 HydrophobicContact CE1-CD2 4.39Å; F257-F321 HydrophobicContact CE1-CE1 4.49Å; F257-F321 HydrophobicContact CE1-CG 4.13Å; F257-F321 HydrophobicContact CE2-CB 4.42Å; F257-F321 HydrophobicContact CZ-CB 3.65Å; F257-F321 HydrophobicContact CZ-CD1 4.05Å; F257-F321 HydrophobicContact CZ-CD2 4.12Å; F257-F321 AromaticContact CZ-CG 3.68Å; F257-F321 HydrophobicContact CZ-CG 3.68Å
258	I	92.4	Very high	93.2	Very high	45 Å²	45	49.6 Å²	49.6	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-34.4	176.7	-66.6	162.5	0	0	0	111.2	L213 M218 V221 V225 V254 A255 A260	L213-I258 HydrophobicContact CD2-CG1 4.38Å; M218-I258 HydrophobicContact CE-CB 4.25Å; M218-I258 HydrophobicContact CE-CG1 3.96Å; M218-I258 HydrophobicContact CE-CG2 3.74Å; V221-I258 HydrophobicContact CG1-CD1 3.45Å; V221-I258 VanDerWaalsContact CG1-CD1 3.45Å; V221-I258 HydrophobicContact CG1-CG1 3.96Å; V225-I258 HydrophobicContact CG2-CD1 3.97Å; V254-I258 HydrophobicContact CG1-CD1 3.68Å; V254-I258 HydrophobicContact CG1-CG1 4.33Å; V254-I258 VanDerWaalsContact O-CG1 3.3Å; V254-I258 WeakPolarHBondContact O-CG1 3.16Å; V254-I258 PolarHBondContact O-N 3.08Å; A255-I258 PolarHBondContact O-N 3.04Å; I258-A260 VanDerWaalsContact C-N 3.31Å
259	E	91.1	Very high	93.3	Very high	124 Å²	124	52 Å²	52	58%	0.579	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	8	-179.9	-64.9	179.1	-174.5	0	0	113.6	A255 A256 F257 D261	A255-E259 WeakPolarHBondContact O-CG 3.29Å; A255-E259 PolarHBondContact O-N 3Å; A255-E259 VanDerWaalsContact O-N 3.1Å; A256-E259 PolarHBondContact O-N 3.34Å; F257-E259 VanDerWaalsContact C-N 3.31Å; E259-D261 VanDerWaalsContact C-N 3.27Å; E259-D261 PolarHBondContact O-N 2.72Å
260	A	91.6	Very high	93.2	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.7	-176.4	0	0	0	0	0	113.6	A256 F257 I258 V318 R322	A256-A260 PolarHBondContact O-N 2.97Å; F257-A260 VanDerWaalsContact O-CB 3.3Å; F257-A260 WeakPolarHBondContact O-CB 3.34Å; F257-A260 PolarHBondContact O-N 3.28Å; I258-A260 VanDerWaalsContact C-N 3.31Å; A260-V318 HydrophobicContact CB-CB 4.47Å; A260-V318 HydrophobicContact CB-CG1 4.04Å; A260-V318 HydrophobicContact CB-CG2 3.55Å; A260-R322 PolarHBondContact O-NH2 3.11Å; A260-R322 VanDerWaalsContact O-NH2 3.13Å
261	D	90.3	Very high	93	Very high	77 Å²	77	54.3 Å²	54.3	41%	0.412	29%	0.292	S	S	.	.			trans	-75.5	126.2	175.8	-81.1	-12.4	0	0	0	110.8	E259 V263 R322 M507	E259-D261 VanDerWaalsContact C-N 3.27Å; E259-D261 PolarHBondContact O-N 2.72Å; D261-V263 VanDerWaalsContact C-N 3.32Å; D261-V263 PolarHBondContact O-N 3.42Å; D261-R322 IonicContact OD1-CZ 2.71Å; D261-R322 IonicContact OD1-NE 2.84Å; D261-R322 IonicContact OD1-NH2 3.72Å; D261-R322 PolarHBondContact OD1-NH2 3.37Å; D261-M507 HydrophobicContact CB-SD 4.07Å
262	P	90.4	Very high	92.8	Very high	22 Å²	22	56.9 Å²	56.9	14%	0.143	31%	0.305	C	S	.	.	S	Bend	trans	-78.8	-14.7	-170.6	28.9	-34	0	0	0	114	L500 M507 F511	P262-L500 HydrophobicContact CG-CD2 3.65Å; P262-M507 HydrophobicContact CG-CG 4.42Å; P262-F511 HydrophobicContact CB-CB 4.14Å; P262-F511 HydrophobicContact CB-CD2 3.46Å; P262-F511 VanDerWaalsContact CB-CD2 3.46Å; P262-F511 HydrophobicContact CB-CE2 3.99Å; P262-F511 HydrophobicContact CB-CG 3.78Å; P262-F511 HydrophobicContact CG-CB 3.87Å; P262-F511 HydrophobicContact CG-CD1 4.4Å; P262-F511 HydrophobicContact CG-CD2 4.06Å; P262-F511 HydrophobicContact CG-CG 3.83Å
263	V	92.7	Very high	92.6	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.024	29%	0.285	C	S	.	.			trans	-133.7	128.8	-174.5	-169.6	0	0	0	0	110.7	D261 M507 L510 F511 L515 S516	D261-V263 VanDerWaalsContact C-N 3.32Å; D261-V263 PolarHBondContact O-N 3.42Å; V263-M507 HydrophobicContact CB-CG 4.19Å; V263-M507 HydrophobicContact CG2-CG 4.32Å; V263-L510 HydrophobicContact CG1-CB 4.2Å; V263-L510 HydrophobicContact CG1-CD1 4.02Å; V263-L510 HydrophobicContact CG2-CB 4.02Å; V263-F511 HydrophobicContact CG2-CB 3.94Å; V263-L515 VanDerWaalsContact CG2-O 3.27Å; V263-L515 WeakPolarHBondContact CG2-O 3.09Å; V263-S516 WeakPolarHBondContact CA-O 3.47Å
264	M	93.8	Very high	92.2	Very high	93 Å²	93	53 Å²	53	46%	0.458	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.4	176.5	-62	-175.1	-69.9	0	0	111.8	L266 I272 S516 S517 M518	M264-L266 HydrophobicContact CB-CD2 4.17Å; M264-I272 HydrophobicContact SD-CD1 3.92Å; M264-I272 HydrophobicContact SD-CG1 4.39Å; M264-S516 PolarHBondContact N-O 2.97Å; M264-S517 CarbonylContact O-C 3.56Å; M264-S517 WeakPolarHBondContact O-CA 3.47Å; M264-M518 PolarHBondContact O-N 2.72Å
265	V	94.1	Very high	91.8	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.024	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.7	168.4	-174.6	0	0	0	0	108.5	I272 V273 T275 M518 R520 W523	V265-I272 CarbonylContact O-C 3.49Å; V265-I272 WeakPolarHBondContact O-CA 3.32Å; V265-V273 HydrophobicContact CB-CB 4.13Å; V265-V273 HydrophobicContact CG1-CB 3.95Å; V265-V273 HydrophobicContact CG1-CG2 4.24Å; V265-V273 PolarHBondContact O-N 3.48Å; V265-T275 HydrophobicContact CG2-CG2 4.34Å; V265-M518 CarbonylContact C-O 3.58Å; V265-M518 WeakPolarHBondContact CA-O 3.22Å; V265-R520 HydrophobicContact CG1-CB 4.41Å; V265-W523 HydrophobicContact CG1-CB 3.89Å; V265-W523 HydrophobicContact CG1-CD2 4.29Å; V265-W523 HydrophobicContact CG1-CG 3.86Å; V265-W523 HydrophobicContact CG2-CD2 3.61Å; V265-W523 HydrophobicContact CG2-CE3 3.54Å; V265-W523 HydrophobicContact CG2-CG 4.09Å; V265-W523 HydrophobicContact CG2-CH2 4.35Å; V265-W523 HydrophobicContact CG2-CZ2 4.4Å; V265-W523 HydrophobicContact CG2-CZ3 3.93Å
266	L	95.1	Very high	91.4	Very high	25 Å²	25	54.4 Å²	54.4	13%	0.131	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.4	-170.8	-57.5	177.5	0	0	0	111.5	M264 T271 I272 M518 R519 R520	M264-L266 HydrophobicContact CB-CD2 4.17Å; L266-T271 CarbonylContact C-O 3.59Å; L266-T271 WeakPolarHBondContact CA-O 3.48Å; L266-I272 HydrophobicContact CD2-CG1 3.9Å; L266-M518 PolarHBondContact N-O 3.25Å; L266-R519 CarbonylContact O-C 3.54Å; L266-R519 WeakPolarHBondContact O-CA 3.39Å; L266-R520 WeakPolarHBondContact O-CB 3.44Å; L266-R520 PolarHBondContact O-N 3.49Å
267	N	93.8	Very high	91.2	Very high	39 Å²	39	54 Å²	54	21%	0.209	29%	0.29	C	S	.	.			trans	-70.5	177	165	-72.9	-46.3	0	0	0	110.9	D269 N270 T271 V273 R519 R520	N267-D269 WeakPolarHBondContact CB-OD1 3.43Å; N267-D269 PolarHBondContact O-N 3.11Å; N267-N270 PolarHBondContact O-N 3.39Å; N267-N270 VanDerWaalsContact O-N 3.12Å; N267-T271 PolarHBondContact N-O 3.26Å; N267-T271 PolarHBondContact ND2-OG1 3.42Å; N267-V273 HydrophobicContact CB-CG2 4.42Å; N267-V273 VanDerWaalsContact CG-CG2 3.47Å; N267-V273 VanDerWaalsContact OD1-CG2 3.24Å; N267-V273 WeakPolarHBondContact OD1-CG2 3.49Å; N267-R519 PolarHBondContact O-NH1 3.24Å; N267-R520 WeakPolarHBondContact OD1-CD 3.48Å; N267-R520 PolarHBondContact OD1-NH1 3.36Å
268	D	91.6	Very high	91	Very high	148 Å²	148	54 Å²	54	79%	0.791	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.2	178.1	-62.9	-28.3	0	0	0	112.7	N270	D268-N270 VanDerWaalsContact C-N 3.26Å; D268-N270 PolarHBondContact O-N 3.37Å
269	D	93.3	Very high	91	Very high	109 Å²	109	52 Å²	52	58%	0.583	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	10.8	175.4	68	-5	0	0	0	114	N267 T271	N267-D269 WeakPolarHBondContact CB-OD1 3.43Å; N267-D269 PolarHBondContact O-N 3.11Å; D269-T271 PolarHBondContact O-N 3.1Å; D269-T271 WeakPolarHBondContact OD1-CB 3.29Å; D269-T271 WeakPolarHBondContact OD1-CG2 3.48Å; D269-T271 PolarHBondContact OD1-N 3.12Å; D269-T271 PolarHBondContact OD1-OG1 2.9Å; D269-T271 WeakPolarHBondContact OD2-CG2 3.44Å; D269-T271 PolarHBondContact OD2-OG1 3.13Å
270	N	90.6	Very high	90.8	Very high	103 Å²	103	48 Å²	48	55%	0.551	27%	0.267	S	S	*	.	S	Bend	trans	63.3	15.2	-175.9	-58.4	-20.4	0	0	0	115.1	N267 D268 R519	N267-N270 PolarHBondContact O-N 3.39Å; N267-N270 VanDerWaalsContact O-N 3.12Å; D268-N270 VanDerWaalsContact C-N 3.26Å; D268-N270 PolarHBondContact O-N 3.37Å; N270-R519 VanDerWaalsContact OD1-CZ 3.3Å; N270-R519 PolarHBondContact OD1-NH1 3.19Å; N270-R519 PolarHBondContact OD1-NH2 3.47Å
271	T	91	Very high	90	Very high	63 Å²	63	55.4 Å²	55.4	39%	0.387	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-76.4	143.5	170.6	60.6	0	0	0	0	111.3	L266 N267 D269	L266-T271 CarbonylContact C-O 3.59Å; L266-T271 WeakPolarHBondContact CA-O 3.48Å; N267-T271 PolarHBondContact N-O 3.26Å; N267-T271 PolarHBondContact ND2-OG1 3.42Å; D269-T271 PolarHBondContact O-N 3.1Å; D269-T271 WeakPolarHBondContact OD1-CB 3.29Å; D269-T271 WeakPolarHBondContact OD1-CG2 3.48Å; D269-T271 PolarHBondContact OD1-N 3.12Å; D269-T271 PolarHBondContact OD1-OG1 2.9Å; D269-T271 WeakPolarHBondContact OD2-CG2 3.44Å; D269-T271 PolarHBondContact OD2-OG1 3.13Å
272	I	89.4	Confident	89.2	Confident	79 Å²	79	57.8 Å²	57.8	41%	0.405	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-73.1	128.8	179.9	-61.3	171.7	0	0	0	109.9	M264 V265 L266	M264-I272 HydrophobicContact SD-CD1 3.92Å; M264-I272 HydrophobicContact SD-CG1 4.39Å; V265-I272 CarbonylContact O-C 3.49Å; V265-I272 WeakPolarHBondContact O-CA 3.32Å; L266-I272 HydrophobicContact CD2-CG1 3.9Å
273	V	90	Very high	88.4	Confident	29 Å²	29	58.2 Å²	58.2	18%	0.176	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-87.5	121.8	173.4	-178.6	0	0	0	0	109.2	V265 N267 T275 R520	V265-V273 HydrophobicContact CB-CB 4.13Å; V265-V273 HydrophobicContact CG1-CB 3.95Å; V265-V273 HydrophobicContact CG1-CG2 4.24Å; V265-V273 PolarHBondContact O-N 3.48Å; N267-V273 HydrophobicContact CB-CG2 4.42Å; N267-V273 VanDerWaalsContact CG-CG2 3.47Å; N267-V273 VanDerWaalsContact OD1-CG2 3.24Å; N267-V273 WeakPolarHBondContact OD1-CG2 3.49Å; V273-T275 PolarHBondContact O-N 3.01Å; V273-R520 HydrophobicContact CG2-CB 4.24Å; V273-R520 HydrophobicContact CG2-CG 4.33Å
274	I	86.8	Confident	87.8	Confident	57 Å²	57	58.4 Å²	58.4	29%	0.292	33%	0.329	S	S	.	.			trans	-81.8	114.7	174.4	-56.5	161	0	0	0	108.3	N216 M218	N216-I274 VanDerWaalsContact CG-CG2 3.44Å; N216-I274 WeakPolarHBondContact ND2-CG2 3.47Å; N216-I274 WeakPolarHBondContact OD1-CG2 3.37Å; M218-I274 HydrophobicContact CB-CD1 3.53Å; M218-I274 HydrophobicContact CB-CG1 3.9Å; M218-I274 HydrophobicContact CG-CD1 4.07Å; M218-I274 HydrophobicContact CG-CG1 4.08Å; M218-I274 HydrophobicContact CG-CG2 4Å
275	T	85.6	Confident	87.2	Confident	24 Å²	24	54.4 Å²	54.4	15%	0.147	31%	0.31	C	S	.	.			trans	-95.5	141	177.1	60.1	0	0	0	0	110.9	N216 V265 V273 W523	N216-T275 PolarHBondContact ND2-O 3.01Å; V265-T275 HydrophobicContact CG2-CG2 4.34Å; V273-T275 PolarHBondContact O-N 3.01Å; T275-W523 HydrophobicContact CG2-CZ2 3.88Å
276	S	87.9	Confident	86.7	Confident	44 Å²	44	61.2 Å²	61.2	31%	0.308	35%	0.345	S	S	.	.			trans	-94.5	142.1	168.8	-174.6	0	0	0	0	110.9	R278 E330	S276-R278 PolarHBondContact OG-N 3.38Å; S276-E330 WeakPolarHBondContact CB-OE1 3.31Å; S276-E330 PolarHBondContact OG-OE1 3.32Å
277	N	88	Confident	86.1	Confident	27 Å²	27	63 Å²	63	14%	0.144	36%	0.355	C	S	.	.			trans	-109.8	5.1	175.8	-57.7	-55.1	0	0	0	112.5	N503 N504	N277-N503 WeakPolarHBondContact CB-OD1 3.39Å; N277-N503 PolarHBondContact ND2-ND2 3.21Å; N277-N504 WeakPolarHBondContact OD1-CB 3.31Å; N277-N504 PolarHBondContact OD1-ND2 2.83Å
278	R	92.6	Very high	85.2	Confident	16 Å²	16	64.9 Å²	64.9	6%	0.06	36%	0.362	C	S	.	.	S	Bend	trans	-69.2	155.2	178	-65.8	174.8	175.9	-139.2	-4.8	110.3	L214 S276 A280 Q325 E328 E330	L214-R278 PolarHBondContact O-NH2 3.09Å; S276-R278 PolarHBondContact OG-N 3.38Å; R278-A280 PolarHBondContact O-N 3.44Å; R278-A280 VanDerWaalsContact O-N 3.13Å; R278-Q325 VanDerWaalsContact NE-NE2 3.19Å; R278-E328 CarbonylContact C-O 3.55Å; R278-E328 VanDerWaalsContact CA-O 3.26Å; R278-E328 WeakPolarHBondContact CA-O 3.32Å; R278-E328 VanDerWaalsContact CB-O 3.26Å; R278-E328 WeakPolarHBondContact CB-O 3.42Å; R278-E328 HydrophobicContact CG-CB 4.2Å; R278-E328 IonicContact CZ-OE2 3.25Å; R278-E328 IonicContact NE-OE2 3.12Å; R278-E328 IonicContact NH1-OE2 2.67Å; R278-E328 PolarHBondContact NH1-OE2 2.86Å; R278-E328 IonicContact NH2-OE2 3.24Å; R278-E328 PolarHBondContact NH2-OE2 3.41Å; R278-E330 HydrophobicContact CB-CG 4.22Å
279	L	91.1	Very high	84.1	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.021	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-70.9	108.3	179.4	179.5	61.9	0	0	0	110.4	A284 E328 R329 E330 E558 F559 L562	L279-A284 HydrophobicContact CD1-CB 3.9Å; L279-E328 PolarHBondContact N-O 3.08Å; L279-R329 HydrophobicContact CB-CG 4.4Å; L279-R329 HydrophobicContact CD2-CG 4.48Å; L279-R329 WeakPolarHBondContact O-CA 3.46Å; L279-E330 PolarHBondContact O-N 2.96Å; L279-E558 HydrophobicContact CD2-CB 3.68Å; L279-F559 HydrophobicContact CB-CD1 4.39Å; L279-F559 HydrophobicContact CB-CE1 3.81Å; L279-F559 HydrophobicContact CB-CZ 4.39Å; L279-F559 HydrophobicContact CD2-CD1 4.07Å; L279-F559 HydrophobicContact CD2-CD2 4.49Å; L279-F559 HydrophobicContact CD2-CE1 3.88Å; L279-F559 HydrophobicContact CD2-CE2 4.31Å; L279-F559 HydrophobicContact CD2-CG 4.4Å; L279-F559 HydrophobicContact CD2-CZ 4.03Å; L279-L562 HydrophobicContact CD1-CD2 4.26Å
280	A	86.5	Confident	82.7	Confident	39 Å²	39	66.1 Å²	66.1	32%	0.322	38%	0.38	S	S	.	.			trans	-73.8	159.9	168	0	0	0	0	0	111.3	R278 T282 G283 E330	R278-A280 PolarHBondContact O-N 3.44Å; R278-A280 VanDerWaalsContact O-N 3.13Å; A280-T282 PolarHBondContact O-N 3.4Å; A280-T282 VanDerWaalsContact O-N 3.11Å; A280-G283 PolarHBondContact O-N 3.28Å; A280-E330 HydrophobicContact CB-CG 4.34Å
281	E	76.5	Confident	81.8	Confident	157 Å²	157	63.8 Å²	63.8	73%	0.734	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.6	-179.7	-70.3	-175	169.6	0	0	113.6
282	T	71.9	Confident	80.7	Confident	128 Å²	128	68.4 Å²	68.4	79%	0.785	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	14.9	177.6	56.3	0	0	0	0	112.8	A280	A280-T282 PolarHBondContact O-N 3.4Å; A280-T282 VanDerWaalsContact O-N 3.11Å
283	G	74.3	Confident	80	Confident	31 Å²	31	65.8 Å²	65.8	32%	0.32	38%	0.375	S	S	.	.			trans	-80.1	-26.3	-170.7	0	0	0	0	0	115.1	A280	A280-G283 PolarHBondContact O-N 3.28Å
284	A	80.1	Confident	79.1	Confident	7 Å²	7	65.2 Å²	65.2	6%	0.058	38%	0.375	C	S	.	.	S	Bend	trans	-90.4	140.5	176.6	0	0	0	0	0	111	L279 L286 E558	L279-A284 HydrophobicContact CD1-CB 3.9Å; A284-L286 PolarHBondContact O-N 2.8Å; A284-E558 HydrophobicContact CB-CB 4.03Å; A284-E558 HydrophobicContact CB-CG 4.27Å
285	P	81.9	Confident	78.9	Confident	10 Å²	10	70.8 Å²	70.8	7%	0.065	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-56.4	123.9	174.7	-24.2	34.3	0	0	0	110.8	N534 R535 A538 R561 T565	P285-N534 HydrophobicContact CG-CB 3.9Å; P285-R535 HydrophobicContact CB-CG 4.43Å; P285-A538 HydrophobicContact CB-CB 3.9Å; P285-R561 WeakPolarHBondContact O-CD 3.37Å; P285-R561 PolarHBondContact O-NH1 3.37Å; P285-T565 HydrophobicContact CG-CG2 4.3Å
286	L	83.4	Confident	79.2	Confident	146 Å²	146	70.6 Å²	70.6	76%	0.764	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-64.5	148.1	-177.6	-66.1	171.8	0	0	0	111.7	A284	A284-L286 PolarHBondContact O-N 2.8Å
287	L	81.5	Confident	79.5	Confident	62 Å²	62	71.2 Å²	71.2	33%	0.325	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-77.4	140.3	169.8	-61.6	171.2	0	0	0	109	V293 F555	L287-V293 HydrophobicContact CD1-CG2 3.49Å; L287-V293 VanDerWaalsContact CD1-CG2 3.49Å; L287-V293 HydrophobicContact CD2-CG1 4.08Å; L287-V293 HydrophobicContact CD2-CG2 4.23Å; L287-V293 HydrophobicContact CG-CG2 4.48Å; L287-F555 HydrophobicContact CD2-CD1 3.83Å; L287-F555 HydrophobicContact CD2-CE1 4.03Å
288	E	75.7	Confident	79.9	Confident	80 Å²	80	70.5 Å²	70.5	37%	0.374	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-71	150.5	176.2	-64.4	178.7	174.4	0	0	111.1	G290 M291 Q539 H543	E288-G290 PolarHBondContact O-N 3Å; E288-M291 HydrophobicContact CB-CG 3.78Å; E288-M291 HydrophobicContact CB-SD 3.99Å; E288-M291 WeakPolarHBondContact O-CB 3.46Å; E288-M291 VanDerWaalsContact O-CG 3.28Å; E288-M291 WeakPolarHBondContact O-CG 3.41Å; E288-M291 PolarHBondContact O-N 3.38Å; E288-Q539 PolarHBondContact OE1-NE2 3.4Å; E288-H543 IonicContact OE1-CE1 3.88Å; E288-H543 IonicContact OE2-CE1 2.65Å; E288-H543 PolarHBondContact OE2-CE1 2.83Å; E288-H543 IonicContact OE2-NE2 3.9Å
289	Q	67.3	Low	80	Confident	207 Å²	207	70.8 Å²	70.8	97%	0.967	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	129	-175.7	-166.9	146.2	-2.6	0	0	110.9
290	G	64	Low	80.2	Confident	75 Å²	75	71.2 Å²	71.2	77%	0.773	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-2.6	-174.6	0	0	0	0	0	114.5	E288	E288-G290 PolarHBondContact O-N 3Å
291	M	71.4	Confident	80.7	Confident	54 Å²	54	69.4 Å²	69.4	27%	0.266	39%	0.391	S	S	.	.			trans	-68	129.6	173	-76	-150.7	73.6	0	0	112.7	E288 V293 T542	E288-M291 HydrophobicContact CB-CG 3.78Å; E288-M291 HydrophobicContact CB-SD 3.99Å; E288-M291 WeakPolarHBondContact O-CB 3.46Å; E288-M291 VanDerWaalsContact O-CG 3.28Å; E288-M291 WeakPolarHBondContact O-CG 3.41Å; E288-M291 PolarHBondContact O-N 3.38Å; M291-V293 HydrophobicContact CE-CG1 4.32Å; M291-T542 HydrophobicContact CE-CG2 3.48Å; M291-T542 VanDerWaalsContact CE-CG2 3.48Å; M291-T542 HydrophobicContact SD-CG2 3.92Å
292	I	68.4	Low	81.8	Confident	161 Å²	161	61.9 Å²	61.9	83%	0.826	36%	0.356	S	S	*	.			trans	-100.5	89.9	172.9	-52.8	176.4	0	0	0	108.1
293	V	75.2	Confident	83	Confident	23 Å²	23	55.8 Å²	55.8	14%	0.139	32%	0.319	C	S	.	.			trans	-96	163.1	165.9	-65.5	0	0	0	0	110.1	L287 M291 F555	L287-V293 HydrophobicContact CD1-CG2 3.49Å; L287-V293 VanDerWaalsContact CD1-CG2 3.49Å; L287-V293 HydrophobicContact CD2-CG1 4.08Å; L287-V293 HydrophobicContact CD2-CG2 4.23Å; L287-V293 HydrophobicContact CG-CG2 4.48Å; M291-V293 HydrophobicContact CE-CG1 4.32Å; V293-F555 HydrophobicContact CG1-CD1 4.47Å
294	G	71.3	Confident	84.2	Confident	17 Å²	17	54.4 Å²	54.4	18%	0.175	30%	0.304	C	S	.	.			trans	-60.8	146.7	177.8	0	0	0	0	0	112.4	L296 L552	G294-L296 PolarHBondContact O-N 3.1Å; G294-L552 PolarHBondContact N-O 3.46Å
295	Q	82.3	Confident	84.9	Confident	174 Å²	174	54 Å²	54	81%	0.813	30%	0.301	S	S	*	.			trans	-86.7	40.6	175.2	-64.6	-173.9	-17.1	0	0	111.8
296	L	92.4	Very high	85.5	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.11	30%	0.298	C	S	.	.			trans	-86.2	139.3	177.8	-65.7	-176.7	0	0	0	110.6	G294 N383 V385 P451 P474 Q553 F554	G294-L296 PolarHBondContact O-N 3.1Å; L296-N383 VanDerWaalsContact CA-O 3.31Å; L296-N383 WeakPolarHBondContact CA-O 3.42Å; L296-N383 HydrophobicContact CD2-CB 4.35Å; L296-V385 HydrophobicContact CB-CG2 3.71Å; L296-V385 HydrophobicContact CD1-CG2 4.05Å; L296-V385 HydrophobicContact CG-CG2 4.35Å; L296-P451 HydrophobicContact CD1-CB 3.87Å; L296-P451 HydrophobicContact CD1-CG 4.15Å; L296-P451 HydrophobicContact CD2-CB 4.22Å; L296-P451 HydrophobicContact CD2-CG 3.76Å; L296-P474 HydrophobicContact CD1-CG 4Å; L296-Q553 HydrophobicContact CD1-CB 4.01Å; L296-F554 HydrophobicContact CD1-CD1 3.83Å; L296-F554 HydrophobicContact CD1-CE1 3.87Å
297	S	93.8	Very high	85.7	Confident	57 Å²	57	47.9 Å²	47.9	40%	0.399	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.7	172.7	61.1	0	0	0	0	111.3	A299 N383 S384 V385	S297-A299 PolarHBondContact O-N 2.82Å; S297-N383 PolarHBondContact N-O 2.65Å; S297-N383 VanDerWaalsContact N-O 3.07Å; S297-S384 CarbonylContact O-C 3.48Å; S297-S384 VanDerWaalsContact O-CA 3.24Å; S297-S384 WeakPolarHBondContact O-CA 3.34Å; S297-S384 PolarHBondContact OG-OG 3.28Å; S297-V385 PolarHBondContact O-N 3.26Å
298	L	96.1	Very high	85.7	Confident	11 Å²	11	48.4 Å²	48.4	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	112.6	172.7	-178.7	59.7	0	0	0	109.3	L327 P356 V385 L387 D557 F559 L560	L298-L327 HydrophobicContact CD2-CD2 3.78Å; L298-P356 HydrophobicContact CD2-CB 4.13Å; L298-P356 HydrophobicContact CD2-CG 4.01Å; L298-P356 HydrophobicContact CG-CB 3.81Å; L298-P356 HydrophobicContact CG-CG 4.24Å; L298-V385 HydrophobicContact CD1-CB 4.21Å; L298-V385 HydrophobicContact CD1-CG1 4.28Å; L298-L387 HydrophobicContact CD1-CB 3.57Å; L298-L387 HydrophobicContact CD2-CD1 4.35Å; L298-D557 PolarHBondContact N-OD2 3.31Å; L298-F559 HydrophobicContact CD2-CB 4.03Å; L298-L560 HydrophobicContact CB-CD1 4.49Å; L298-L560 HydrophobicContact CB-CG 4.35Å; L298-L560 HydrophobicContact CD1-CD2 4.39Å; L298-L560 HydrophobicContact CD2-CD2 4.1Å; L298-L560 HydrophobicContact CD2-CG 4.5Å
299	A	94.4	Very high	86.1	Confident	23 Å²	23	50.9 Å²	50.9	19%	0.19	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-46.7	-178.1	0	0	0	0	0	111.9	S297 P356 H357 L380 V385	S297-A299 PolarHBondContact O-N 2.82Å; A299-P356 CarbonylContact O-C 3.33Å; A299-P356 WeakPolarHBondContact O-CA 3.47Å; A299-H357 PolarHBondContact O-N 2.83Å; A299-L380 HydrophobicContact CB-CD1 3.93Å; A299-V385 PolarHBondContact N-O 2.81Å
300	D	95.4	Very high	87.2	Confident	13 Å²	13	41.7 Å²	41.7	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142	-176.5	-87.5	12.5	0	0	0	110.7	H357 S376 L380 V385 L386 L387	D300-H357 CarbonylContact C-O 3.54Å; D300-H357 WeakPolarHBondContact CA-O 3.42Å; D300-H357 IonicContact OD1-ND1 3.4Å; D300-S376 VanDerWaalsContact OD2-CB 3.25Å; D300-S376 WeakPolarHBondContact OD2-CB 3.37Å; D300-S376 PolarHBondContact OD2-OG 3.3Å; D300-L380 HydrophobicContact CB-CD1 4.15Å; D300-V385 PolarHBondContact N-O 3.23Å; D300-L386 HydrophobicContact CB-CD1 3.57Å; D300-L387 PolarHBondContact O-N 3.07Å
301	A	97.9	Very high	88.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.9	171.2	0	0	0	0	0	110.7	L327 H357 K358 Y359 L387	A301-L327 HydrophobicContact CB-CD1 3.85Å; A301-H357 PolarHBondContact N-O 2.88Å; A301-K358 HydrophobicContact CB-CG 4.16Å; A301-K358 CarbonylContact O-C 3.46Å; A301-K358 VanDerWaalsContact O-CA 3.31Å; A301-K358 WeakPolarHBondContact O-CA 3.36Å; A301-Y359 PolarHBondContact O-N 3.02Å; A301-L387 CarbonylContact C-O 3.59Å; A301-L387 VanDerWaalsContact CA-O 3.29Å; A301-L387 WeakPolarHBondContact CA-O 3.35Å; A301-L387 HydrophobicContact CB-CB 4.14Å; A301-L387 HydrophobicContact CB-CD2 4.04Å
302	L	98.3	Very high	89.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	122	165.8	-74.1	72.3	0	0	0	107.9	I304 Y359 L361 L369 F372 L373 L386 L387 Y389	L302-I304 HydrophobicContact CB-CD1 3.76Å; L302-Y359 HydrophobicContact CD1-CD2 4.03Å; L302-Y359 HydrophobicContact CG-CD2 4.21Å; L302-L361 HydrophobicContact CD2-CD1 4.33Å; L302-L369 HydrophobicContact CD2-CD1 3.96Å; L302-F372 HydrophobicContact CD2-CB 3.87Å; L302-L373 HydrophobicContact CD2-CD2 3.65Å; L302-L373 HydrophobicContact CD2-CG 3.78Å; L302-L386 HydrophobicContact CD1-CD1 3.55Å; L302-L386 HydrophobicContact CD1-CG 4.48Å; L302-L387 PolarHBondContact N-O 3.32Å; L302-Y389 PolarHBondContact O-N 3.4Å
303	I	98.6	Very high	91	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.3	179.4	-58.1	178.7	0	0	0	107.2	M320 M323 L324 L327 K358 Y359 L360 L361 Y389	I303-M320 HydrophobicContact CG2-CB 3.94Å; I303-M320 HydrophobicContact CG2-CG 4.04Å; I303-M323 HydrophobicContact CD1-CB 4.47Å; I303-M323 HydrophobicContact CD1-CG 4.2Å; I303-M323 HydrophobicContact CG1-CG 4.34Å; I303-M323 HydrophobicContact CG2-CB 4.38Å; I303-L324 HydrophobicContact CD1-CB 4.21Å; I303-L327 HydrophobicContact CD1-CD1 4.34Å; I303-K358 HydrophobicContact CD1-CB 4.48Å; I303-K358 HydrophobicContact CD1-CD 4.27Å; I303-K358 HydrophobicContact CD1-CG 4.35Å; I303-Y359 PolarHBondContact N-O 3.42Å; I303-L360 HydrophobicContact CB-CD2 3.93Å; I303-L360 HydrophobicContact CD1-CD2 3.93Å; I303-L360 HydrophobicContact CG1-CD2 4.39Å; I303-L360 HydrophobicContact CG2-CD2 4.26Å; I303-L361 PolarHBondContact O-N 3.32Å; I303-Y389 HydrophobicContact CB-CD1 4.47Å; I303-Y389 HydrophobicContact CG2-CD1 3.72Å; I303-Y389 HydrophobicContact CG2-CE1 4.27Å
304	I	98.2	Very high	91.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.2	-174.3	-57.2	92.2	0	0	0	110.1	L302 L361 P364 L369 I388 Y389 L390 S391	L302-I304 HydrophobicContact CB-CD1 3.76Å; I304-L361 WeakPolarHBondContact CA-O 3.48Å; I304-L361 HydrophobicContact CG1-CB 4.23Å; I304-L361 HydrophobicContact CG1-CD1 4.31Å; I304-P364 HydrophobicContact CG2-CG 3.88Å; I304-L369 HydrophobicContact CD1-CD1 4Å; I304-L369 HydrophobicContact CG1-CD1 3.86Å; I304-I388 HydrophobicContact CD1-CG2 3.84Å; I304-Y389 WeakPolarHBondContact CD1-O 3.14Å; I304-Y389 PolarHBondContact N-O 3.18Å; I304-L390 HydrophobicContact CB-CD2 3.94Å; I304-L390 HydrophobicContact CD1-CD2 3.81Å; I304-L390 HydrophobicContact CG1-CD2 4.07Å; I304-L390 HydrophobicContact CG2-CD2 4.21Å; I304-S391 PolarHBondContact O-N 3.44Å
305	G	96.3	Very high	92.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.7	174.3	0	0	0	0	0	112.1	L361 Y362 K363 S391	G305-L361 PolarHBondContact N-O 3.09Å; G305-Y362 WeakPolarHBondContact O-CD2 3.49Å; G305-K363 PolarHBondContact O-N 3.38Å; G305-S391 CarbonylContact C-O 3.3Å; G305-S391 WeakPolarHBondContact CA-O 3.37Å
306	N	94.1	Very high	93.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	30.8	172.2	-171.4	36.7	0	0	0	111.8	K363 S391 A392 L413 T414 N415 S416	N306-K363 HydrophobicContact CB-CG 4.29Å; N306-K363 VanDerWaalsContact OD1-CD 3.32Å; N306-K363 WeakPolarHBondContact OD1-CD 3.46Å; N306-K363 VanDerWaalsContact OD1-CE 3.27Å; N306-K363 WeakPolarHBondContact OD1-CE 3.48Å; N306-K363 WeakPolarHBondContact OD1-CG 3.41Å; N306-S391 PolarHBondContact N-O 2.72Å; N306-A392 HydrophobicContact CB-CB 3.79Å; N306-L413 PolarHBondContact ND2-O 2.92Å; N306-T414 PolarHBondContact ND2-O 2.95Å; N306-N415 PolarHBondContact ND2-N 3.32Å; N306-S416 PolarHBondContact OD1-OG 3.22Å
307	C	88	Confident	93.4	Very high	27 Å²	27	31.3 Å²	31.3	18%	0.182	18%	0.175	C	C	.	.			trans	-68.7	129.5	167.3	-79.3	0	0	0	0	109.7	Q310 S391 A392	C307-Q310 HydrophobicContact CB-CB 3.98Å; C307-S391 PolarHBondContact N-O 2.86Å; C307-S391 PolarHBondContact SG-OG 3.27Å; C307-A392 VanDerWaalsContact SG-CA 3.58Å; C307-A392 PolarHBondContact SG-N 2.89Å; C307-A392 VanDerWaalsContact SG-N 3.38Å
308	N	81	Confident	93.5	Very high	73 Å²	73	28.8 Å²	28.8	39%	0.39	16%	0.157	S	C	.	.	S	Bend	trans	-70.9	140.6	178.2	-72.8	-27.9	0	0	0	110.4	Q310	N308-Q310 PolarHBondContact O-N 3.19Å
309	N	83.4	Confident	93.6	Very high	131 Å²	131	28.3 Å²	28.3	70%	0.701	15%	0.154	S	C	*	.	S	Bend	trans	60.9	-3.6	177.2	-50.5	-26.4	0	0	0	116.1	V311 Q493	N309-V311 PolarHBondContact O-N 3.06Å; N309-Q493 PolarHBondContact O-OE1 3.41Å
310	Q	90.9	Very high	93.7	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.07	15%	0.146	C	C	.	.			trans	-56.4	134.9	174.4	-172.9	174.1	95	0	0	111.2	C307 N308 K312 T317 D319	C307-Q310 HydrophobicContact CB-CB 3.98Å; N308-Q310 PolarHBondContact O-N 3.19Å; Q310-K312 PolarHBondContact O-N 3.48Å; Q310-T317 PolarHBondContact OE1-OG1 3.25Å; Q310-D319 PolarHBondContact NE2-OD2 3.03Å
311	V	93.8	Very high	93.8	Very high	25 Å²	25	28.3 Å²	28.3	15%	0.152	15%	0.15	C	C	.	.			trans	-53.2	135	176	171.4	0	0	0	0	109.8	A256 F257 N309 T317 V318 Q493	A256-V311 HydrophobicContact CB-CG1 3.84Å; A256-V311 HydrophobicContact CB-CG2 3.98Å; F257-V311 HydrophobicContact CB-CG1 3.99Å; F257-V311 HydrophobicContact CD2-CG1 4.23Å; N309-V311 PolarHBondContact O-N 3.06Å; V311-T317 WeakPolarHBondContact O-CA 3.42Å; V311-V318 HydrophobicContact CB-CG2 3.95Å; V311-V318 HydrophobicContact CG1-CG2 3.97Å; V311-V318 PolarHBondContact O-N 3.02Å; V311-V318 VanDerWaalsContact O-N 3.11Å; V311-Q493 WeakPolarHBondContact CB-O 3.49Å; V311-Q493 VanDerWaalsContact CG2-O 3.31Å; V311-Q493 WeakPolarHBondContact CG2-O 3.48Å; V311-Q493 PolarHBondContact N-O 3.5Å
312	K	94.4	Very high	93.8	Very high	48 Å²	48	28.6 Å²	28.6	21%	0.209	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160.2	178.8	69.4	171.6	179.2	64.9	0	110.5	E253 Q310 L316 T317 Y362	E253-K312 VanDerWaalsContact CB-O 3.31Å; E253-K312 WeakPolarHBondContact CB-O 3.33Å; E253-K312 VanDerWaalsContact CD-NZ 3.33Å; E253-K312 IonicContact OE1-NZ 3.57Å; E253-K312 PolarHBondContact OE1-NZ 2.78Å; E253-K312 IonicContact OE2-NZ 3.2Å; E253-K312 PolarHBondContact OE2-NZ 3.39Å; Q310-K312 PolarHBondContact O-N 3.48Å; K312-L316 CarbonylContact C-O 3.54Å; K312-L316 WeakPolarHBondContact CA-O 3.19Å; K312-L316 WeakPolarHBondContact CB-O 3.3Å; K312-T317 HydrophobicContact CB-CG2 4.24Å; K312-Y362 HydrophobicContact CD-CE1 4.07Å; K312-Y362 HydrophobicContact CD-CE2 4.16Å; K312-Y362 WeakPolarHBondContact CD-OH 3.42Å
313	F	94.5	Very high	93.8	Very high	12 Å²	12	28.7 Å²	28.7	5%	0.053	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.8	164.4	175.2	-124.7	0	0	0	109.4	I209 V210 L213 V250 E253 V254 F257 E315 L316	I209-F313 HydrophobicContact CB-CE1 4.18Å; I209-F313 HydrophobicContact CB-CZ 4.4Å; I209-F313 HydrophobicContact CG2-CD1 4.44Å; I209-F313 HydrophobicContact CG2-CE1 3.6Å; I209-F313 HydrophobicContact CG2-CZ 4.1Å; V210-F313 HydrophobicContact CB-CE1 4.37Å; V210-F313 HydrophobicContact CG2-CD1 3.94Å; V210-F313 HydrophobicContact CG2-CE1 3.31Å; V210-F313 HydrophobicContact CG2-CZ 3.86Å; L213-F313 HydrophobicContact CD1-CD1 3.63Å; L213-F313 HydrophobicContact CD1-CE1 4.02Å; V250-F313 HydrophobicContact CG1-CE2 4.04Å; E253-F313 HydrophobicContact CB-CD2 4.46Å; V254-F313 HydrophobicContact CB-CD2 4.49Å; V254-F313 HydrophobicContact CG2-CD1 3.91Å; V254-F313 HydrophobicContact CG2-CD2 3.29Å; V254-F313 HydrophobicContact CG2-CE1 3.75Å; V254-F313 HydrophobicContact CG2-CE2 3.15Å; V254-F313 HydrophobicContact CG2-CG 3.69Å; V254-F313 HydrophobicContact CG2-CZ 3.38Å; F257-F313 HydrophobicContact CB-CB 4.28Å; F257-F313 HydrophobicContact CD2-CB 4.01Å; F257-F313 HydrophobicContact CG-CB 4.17Å; F313-E315 VanDerWaalsContact C-N 3.31Å; F313-E315 PolarHBondContact O-N 3.39Å; F313-L316 PolarHBondContact N-O 3.08Å; F313-L316 WeakPolarHBondContact O-CB 3.31Å; F313-L316 PolarHBondContact O-N 3.35Å
314	S	90.2	Very high	93.7	Very high	63 Å²	63	28.8 Å²	28.8	44%	0.441	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	44.3	-178.9	-174.5	0	0	0	0	113.9	L316	S314-L316 PolarHBondContact O-N 2.99Å; S314-L316 VanDerWaalsContact O-N 3.17Å
315	E	90.9	Very high	93.5	Very high	137 Å²	137	29 Å²	29	64%	0.64	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	12.6	-177.5	-54.1	179.6	152	0	0	114.5	F313 Y362	F313-E315 VanDerWaalsContact C-N 3.31Å; F313-E315 PolarHBondContact O-N 3.39Å; E315-Y362 HydrophobicContact CB-CD1 3.85Å; E315-Y362 HydrophobicContact CB-CG 4.17Å; E315-Y362 HydrophobicContact CG-CD1 4.13Å; E315-Y362 WeakPolarHBondContact O-CB 3.2Å
316	L	94.9	Very high	93.5	Very high	21 Å²	21	29.1 Å²	29.1	11%	0.11	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.4	172.5	-169.1	68.3	0	0	0	108.9	L214 F257 K312 F313 S314 M320 F321 L324 L360	L214-L316 HydrophobicContact CD2-CD2 4.12Å; F257-L316 WeakPolarHBondContact CE2-O 2.88Å; K312-L316 CarbonylContact C-O 3.54Å; K312-L316 WeakPolarHBondContact CA-O 3.19Å; K312-L316 WeakPolarHBondContact CB-O 3.3Å; F313-L316 PolarHBondContact N-O 3.08Å; F313-L316 WeakPolarHBondContact O-CB 3.31Å; F313-L316 PolarHBondContact O-N 3.35Å; S314-L316 PolarHBondContact O-N 2.99Å; S314-L316 VanDerWaalsContact O-N 3.17Å; L316-M320 HydrophobicContact CD1-CB 3.61Å; L316-M320 HydrophobicContact CD1-CE 4.32Å; L316-M320 HydrophobicContact CG-CB 4.37Å; L316-F321 HydrophobicContact CD2-CB 3.82Å; L316-F321 HydrophobicContact CD2-CD2 3.83Å; L316-F321 HydrophobicContact CD2-CG 4.31Å; L316-F321 HydrophobicContact CG-CB 4.04Å; L316-L324 HydrophobicContact CD2-CD2 4.48Å; L316-L360 HydrophobicContact CD1-CD1 4.12Å
317	T	96.3	Very high	93.6	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	160.8	173.1	79.3	0	0	0	0	111	Q310 V311 K312 D319 M320 F321 Y362	Q310-T317 PolarHBondContact OE1-OG1 3.25Å; V311-T317 WeakPolarHBondContact O-CA 3.42Å; K312-T317 HydrophobicContact CB-CG2 4.24Å; T317-D319 PolarHBondContact O-N 3.43Å; T317-M320 HydrophobicContact CG2-SD 4.07Å; T317-M320 PolarHBondContact O-N 3.17Å; T317-M320 WeakPolarHBondContact OG1-CG 3.37Å; T317-M320 PolarHBondContact OG1-N 2.91Å; T317-F321 PolarHBondContact O-N 2.92Å; T317-Y362 HydrophobicContact CG2-CD2 3.71Å; T317-Y362 HydrophobicContact CG2-CE2 3.55Å
318	V	96.4	Very high	93.8	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.024	15%	0.145	C	C	.	.	H	α-helix	trans	-54.5	-41	177	172.7	0	0	0	0	111.6	F257 A260 V311 F321 R322	F257-V318 HydrophobicContact CD2-CG2 3.95Å; F257-V318 HydrophobicContact CE2-CG2 4.04Å; A260-V318 HydrophobicContact CB-CB 4.47Å; A260-V318 HydrophobicContact CB-CG1 4.04Å; A260-V318 HydrophobicContact CB-CG2 3.55Å; V311-V318 HydrophobicContact CB-CG2 3.95Å; V311-V318 HydrophobicContact CG1-CG2 3.97Å; V311-V318 PolarHBondContact O-N 3.02Å; V311-V318 VanDerWaalsContact O-N 3.11Å; V318-F321 PolarHBondContact O-N 2.87Å; V318-R322 HydrophobicContact CG1-CG 4.42Å; V318-R322 WeakPolarHBondContact O-CB 3.3Å; V318-R322 VanDerWaalsContact O-CG 3.3Å; V318-R322 WeakPolarHBondContact O-CG 3.44Å; V318-R322 PolarHBondContact O-N 3.37Å
319	D	97.4	Very high	94.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68	-43.2	179	-80.5	-2.6	0	0	0	112.7	Q310 T317 F321 R322 M323 Y389 S391 G495 S496 T499	Q310-D319 PolarHBondContact NE2-OD2 3.03Å; T317-D319 PolarHBondContact O-N 3.43Å; D319-F321 VanDerWaalsContact C-N 3.29Å; D319-F321 PolarHBondContact O-N 2.99Å; D319-R322 PolarHBondContact O-N 3.04Å; D319-M323 PolarHBondContact O-N 3.11Å; D319-Y389 WeakPolarHBondContact CB-OH 3.35Å; D319-S391 PolarHBondContact OD2-OG 2.9Å; D319-G495 WeakPolarHBondContact OD1-CA 3.41Å; D319-S496 PolarHBondContact OD1-N 2.51Å; D319-S496 WeakPolarHBondContact OD2-CB 3.36Å; D319-S496 PolarHBondContact OD2-N 3.33Å; D319-T499 HydrophobicContact CB-CG2 4.1Å
320	M	97.8	Very high	94.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-42.2	174.2	-66	175.3	72.8	0	0	111	I303 L316 T317 L324 L360 Y362	I303-M320 HydrophobicContact CG2-CB 3.94Å; I303-M320 HydrophobicContact CG2-CG 4.04Å; L316-M320 HydrophobicContact CD1-CB 3.61Å; L316-M320 HydrophobicContact CD1-CE 4.32Å; L316-M320 HydrophobicContact CG-CB 4.37Å; T317-M320 HydrophobicContact CG2-SD 4.07Å; T317-M320 PolarHBondContact O-N 3.17Å; T317-M320 WeakPolarHBondContact OG1-CG 3.37Å; T317-M320 PolarHBondContact OG1-N 2.91Å; M320-L324 WeakPolarHBondContact O-CB 3.41Å; M320-L324 PolarHBondContact O-N 3.01Å; M320-L360 HydrophobicContact CE-CB 4.03Å; M320-Y362 HydrophobicContact SD-CD2 4.25Å
321	F	96.9	Very high	93.9	Very high	35 Å²	35	25 Å²	25	15%	0.154	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-46.2	176.6	174.3	-101.9	0	0	0	112.3	L214 F257 L316 T317 V318 D319 M323 L324 Q325	L214-F321 HydrophobicContact CD2-CD2 4.19Å; L214-F321 HydrophobicContact CD2-CE2 4.25Å; F257-F321 HydrophobicContact CE1-CD1 4.19Å; F257-F321 HydrophobicContact CE1-CD2 4.39Å; F257-F321 HydrophobicContact CE1-CE1 4.49Å; F257-F321 HydrophobicContact CE1-CG 4.13Å; F257-F321 HydrophobicContact CE2-CB 4.42Å; F257-F321 HydrophobicContact CZ-CB 3.65Å; F257-F321 HydrophobicContact CZ-CD1 4.05Å; F257-F321 HydrophobicContact CZ-CD2 4.12Å; F257-F321 AromaticContact CZ-CG 3.68Å; F257-F321 HydrophobicContact CZ-CG 3.68Å; L316-F321 HydrophobicContact CD2-CB 3.82Å; L316-F321 HydrophobicContact CD2-CD2 3.83Å; L316-F321 HydrophobicContact CD2-CG 4.31Å; L316-F321 HydrophobicContact CG-CB 4.04Å; T317-F321 PolarHBondContact O-N 2.92Å; V318-F321 PolarHBondContact O-N 2.87Å; D319-F321 VanDerWaalsContact C-N 3.29Å; D319-F321 PolarHBondContact O-N 2.99Å; F321-M323 PolarHBondContact O-N 2.84Å; F321-L324 WeakPolarHBondContact O-CB 3.39Å; F321-L324 PolarHBondContact O-N 2.77Å; F321-Q325 HydrophobicContact CD1-CG 4.46Å; F321-Q325 HydrophobicContact CD2-CG 4.27Å; F321-Q325 HydrophobicContact CE1-CG 4.12Å; F321-Q325 HydrophobicContact CE2-CG 3.92Å; F321-Q325 HydrophobicContact CZ-CG 3.84Å; F321-Q325 VanDerWaalsContact O-CG 3.29Å; F321-Q325 WeakPolarHBondContact O-CG 3.36Å; F321-Q325 PolarHBondContact O-N 3.11Å
322	R	97	Very high	92.6	Very high	7 Å²	7	28.6 Å²	28.6	3%	0.026	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-47	176.5	-77.6	175.1	175.4	155.1	6	111.4	A260 D261 V318 D319 Q325 A326 R494 T499 N503	A260-R322 PolarHBondContact O-NH2 3.11Å; A260-R322 VanDerWaalsContact O-NH2 3.13Å; D261-R322 IonicContact OD1-CZ 2.71Å; D261-R322 IonicContact OD1-NE 2.84Å; D261-R322 IonicContact OD1-NH2 3.72Å; D261-R322 PolarHBondContact OD1-NH2 3.37Å; V318-R322 HydrophobicContact CG1-CG 4.42Å; V318-R322 WeakPolarHBondContact O-CB 3.3Å; V318-R322 VanDerWaalsContact O-CG 3.3Å; V318-R322 WeakPolarHBondContact O-CG 3.44Å; V318-R322 PolarHBondContact O-N 3.37Å; D319-R322 PolarHBondContact O-N 3.04Å; R322-Q325 PolarHBondContact O-N 3.15Å; R322-A326 WeakPolarHBondContact O-CB 3.47Å; R322-A326 PolarHBondContact O-N 3.23Å; R322-R494 PolarHBondContact NH1-O 3Å; R322-T499 HydrophobicContact CB-CG2 3.9Å; R322-N503 HydrophobicContact CB-CB 3.8Å; R322-N503 HydrophobicContact CG-CB 4.29Å; R322-N503 PolarHBondContact O-OD1 3.38Å; R322-N503 VanDerWaalsContact O-OD1 3.05Å
323	M	98.2	Very high	90.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-68.3	-38.1	178.1	-171.9	53.6	62.4	0	0	112.4	I303 D319 F321 Q325 A326 L327 Y389 I455 L502 L563	I303-M323 HydrophobicContact CD1-CB 4.47Å; I303-M323 HydrophobicContact CD1-CG 4.2Å; I303-M323 HydrophobicContact CG1-CG 4.34Å; I303-M323 HydrophobicContact CG2-CB 4.38Å; D319-M323 PolarHBondContact O-N 3.11Å; F321-M323 PolarHBondContact O-N 2.84Å; M323-Q325 PolarHBondContact O-N 3.31Å; M323-A326 PolarHBondContact O-N 3.2Å; M323-A326 HydrophobicContact SD-CB 4.5Å; M323-L327 HydrophobicContact CG-CD1 4.14Å; M323-L327 WeakPolarHBondContact O-CG 3.43Å; M323-L327 PolarHBondContact O-N 2.9Å; M323-L327 VanDerWaalsContact O-N 3.15Å; M323-L327 HydrophobicContact SD-CD1 4.06Å; M323-L327 HydrophobicContact SD-CG 4.14Å; M323-Y389 HydrophobicContact CB-CD1 4.06Å; M323-Y389 HydrophobicContact CB-CD2 4.46Å; M323-Y389 HydrophobicContact CB-CE1 4.03Å; M323-Y389 HydrophobicContact CB-CE2 4.45Å; M323-Y389 HydrophobicContact CB-CG 4.26Å; M323-Y389 HydrophobicContact CE-CD2 3.58Å; M323-Y389 HydrophobicContact CE-CE2 3.67Å; M323-Y389 HydrophobicContact CE-CG 4.32Å; M323-Y389 HydrophobicContact CG-CD1 3.97Å; M323-Y389 HydrophobicContact CG-CD2 3.97Å; M323-Y389 HydrophobicContact CG-CE1 4.39Å; M323-Y389 HydrophobicContact CG-CE2 4.42Å; M323-Y389 HydrophobicContact CG-CG 3.71Å; M323-Y389 HydrophobicContact SD-CD2 4.4Å; M323-I455 HydrophobicContact CE-CD1 4.05Å; M323-L502 HydrophobicContact CE-CB 4.29Å; M323-L502 HydrophobicContact CE-CD1 4.17Å; M323-L563 HydrophobicContact CE-CD2 4.24Å; M323-L563 HydrophobicContact SD-CD2 4.32Å
324	L	96.9	Very high	88.6	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-56.6	-50.4	173.5	171.3	60	0	0	0	111	L214 I303 L316 M320 F321 A326 L327 K358 L360	L214-L324 HydrophobicContact CD2-CD2 3.46Å; L214-L324 VanDerWaalsContact CD2-CD2 3.46Å; I303-L324 HydrophobicContact CD1-CB 4.21Å; L316-L324 HydrophobicContact CD2-CD2 4.48Å; M320-L324 WeakPolarHBondContact O-CB 3.41Å; M320-L324 PolarHBondContact O-N 3.01Å; F321-L324 WeakPolarHBondContact O-CB 3.39Å; F321-L324 PolarHBondContact O-N 2.77Å; L324-A326 PolarHBondContact O-N 2.88Å; L324-L327 CarbonylContact O-C 3.58Å; L324-L327 PolarHBondContact O-N 2.82Å; L324-K358 HydrophobicContact CD1-CD 3.46Å; L324-K358 VanDerWaalsContact CD1-CD 3.46Å; L324-K358 VanDerWaalsContact CD1-CE 3.42Å; L324-L360 HydrophobicContact CD1-CD2 4.42Å; L324-L360 HydrophobicContact CD2-CD1 4.13Å
325	Q	94.6	Very high	86.4	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-66.4	-35.6	179.4	-65.4	-69.2	110.2	0	0	112.4	L214 R278 F321 R322 M323 L327 E328	L214-Q325 PolarHBondContact O-OE1 3.01Å; L214-Q325 VanDerWaalsContact O-OE1 3.11Å; R278-Q325 VanDerWaalsContact NE-NE2 3.19Å; F321-Q325 HydrophobicContact CD1-CG 4.46Å; F321-Q325 HydrophobicContact CD2-CG 4.27Å; F321-Q325 HydrophobicContact CE1-CG 4.12Å; F321-Q325 HydrophobicContact CE2-CG 3.92Å; F321-Q325 HydrophobicContact CZ-CG 3.84Å; F321-Q325 VanDerWaalsContact O-CG 3.29Å; F321-Q325 WeakPolarHBondContact O-CG 3.36Å; F321-Q325 PolarHBondContact O-N 3.11Å; R322-Q325 PolarHBondContact O-N 3.15Å; M323-Q325 PolarHBondContact O-N 3.31Å; Q325-L327 PolarHBondContact O-N 3.06Å; Q325-E328 PolarHBondContact O-N 3.37Å
326	A	95.8	Very high	84.1	Confident	3 Å²	3	34.7 Å²	34.7	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-22	176.3	0	0	0	0	0	113.3	R322 M323 L324 F559	R322-A326 WeakPolarHBondContact O-CB 3.47Å; R322-A326 PolarHBondContact O-N 3.23Å; M323-A326 PolarHBondContact O-N 3.2Å; M323-A326 HydrophobicContact SD-CB 4.5Å; L324-A326 PolarHBondContact O-N 2.88Å; A326-F559 WeakPolarHBondContact O-CD1 3.47Å
327	L	96	Very high	81.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	27.4	178.9	-64.6	177.9	0	0	0	112.7	L298 A301 I303 M323 L324 Q325 P356 K358 L387 F559 L563	L298-L327 HydrophobicContact CD2-CD2 3.78Å; A301-L327 HydrophobicContact CB-CD1 3.85Å; I303-L327 HydrophobicContact CD1-CD1 4.34Å; M323-L327 HydrophobicContact CG-CD1 4.14Å; M323-L327 WeakPolarHBondContact O-CG 3.43Å; M323-L327 PolarHBondContact O-N 2.9Å; M323-L327 VanDerWaalsContact O-N 3.15Å; M323-L327 HydrophobicContact SD-CD1 4.06Å; M323-L327 HydrophobicContact SD-CG 4.14Å; L324-L327 CarbonylContact O-C 3.58Å; L324-L327 PolarHBondContact O-N 2.82Å; Q325-L327 PolarHBondContact O-N 3.06Å; L327-P356 HydrophobicContact CB-CG 4.31Å; L327-K358 HydrophobicContact CB-CD 3.99Å; L327-K358 PolarHBondContact O-NZ 2.72Å; L327-L387 HydrophobicContact CD1-CD2 4.2Å; L327-F559 VanDerWaalsContact C-CE1 3.49Å; L327-F559 HydrophobicContact CD2-CB 3.98Å; L327-F559 HydrophobicContact CD2-CD1 4.2Å; L327-F559 HydrophobicContact CD2-CG 4.26Å; L327-L563 HydrophobicContact CD2-CD1 4.08Å
328	E	93.3	Very high	78.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.			trans	-128	144.3	173.2	-74.7	-170.3	175.5	0	0	111.5	Y161 T167 R278 L279 Q325 N355	Y161-E328 PolarHBondContact OH-OE1 3.34Å; T167-E328 WeakPolarHBondContact CG2-OE2 3.38Å; R278-E328 CarbonylContact C-O 3.55Å; R278-E328 VanDerWaalsContact CA-O 3.26Å; R278-E328 WeakPolarHBondContact CA-O 3.32Å; R278-E328 VanDerWaalsContact CB-O 3.26Å; R278-E328 WeakPolarHBondContact CB-O 3.42Å; R278-E328 HydrophobicContact CG-CB 4.2Å; R278-E328 IonicContact CZ-OE2 3.25Å; R278-E328 IonicContact NE-OE2 3.12Å; R278-E328 IonicContact NH1-OE2 2.67Å; R278-E328 PolarHBondContact NH1-OE2 2.86Å; R278-E328 IonicContact NH2-OE2 3.24Å; R278-E328 PolarHBondContact NH2-OE2 3.41Å; L279-E328 PolarHBondContact N-O 3.08Å; Q325-E328 PolarHBondContact O-N 3.37Å; E328-N355 WeakPolarHBondContact CA-OD1 3.34Å
329	R	91.4	Very high	75.9	Confident	40 Å²	40	53.8 Å²	53.8	15%	0.151	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-80.2	156.3	168.6	-63.9	-179.2	-178.5	-81.4	-2.4	110.8	L279 R353 N355 E558 F559	L279-R329 HydrophobicContact CB-CG 4.4Å; L279-R329 HydrophobicContact CD2-CG 4.48Å; L279-R329 WeakPolarHBondContact O-CA 3.46Å; R329-R353 VanDerWaalsContact CD-O 3.31Å; R329-R353 WeakPolarHBondContact CD-O 3.17Å; R329-R353 PolarHBondContact NE-O 3.21Å; R329-N355 WeakPolarHBondContact CG-OD1 3.2Å; R329-N355 PolarHBondContact N-OD1 3.45Å; R329-E558 IonicContact CZ-OE2 3.94Å; R329-E558 VanDerWaalsContact CZ-OE2 3.23Å; R329-E558 IonicContact NH1-OE2 2.91Å; R329-E558 PolarHBondContact NH1-OE2 2.9Å; R329-E558 IonicContact NH2-OE2 3.76Å; R329-E558 PolarHBondContact NH2-OE2 3.03Å; R329-F559 HydrophobicContact CG-CE2 4.47Å; R329-F559 HydrophobicContact CG-CZ 3.79Å
330	E	87.8	Confident	73	Confident	76 Å²	76	61.2 Å²	61.2	36%	0.355	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-55.8	134.4	166.6	-74.7	-62.5	165.9	0	0	110.4	S276 R278 L279 A280 M332	S276-E330 WeakPolarHBondContact CB-OE1 3.31Å; S276-E330 PolarHBondContact OG-OE1 3.32Å; R278-E330 HydrophobicContact CB-CG 4.22Å; L279-E330 PolarHBondContact O-N 2.96Å; A280-E330 HydrophobicContact CB-CG 4.34Å; E330-M332 PolarHBondContact O-N 2.75Å
331	P	78.3	Confident	70	Confident	44 Å²	44	67.4 Å²	67.4	29%	0.286	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-58	123.7	175.3	-19.3	30.7	0	0	0	110.2	N333	P331-N333 PolarHBondContact O-N 3.39Å
332	M	64.8	Low	67.3	Low	100 Å²	100	69.3 Å²	69.3	49%	0.493	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-67.4	118.4	172.9	-69.3	-179.1	76.8	0	0	109.6	E330 L334	E330-M332 PolarHBondContact O-N 2.75Å; M332-L334 PolarHBondContact O-N 3.44Å
333	N	56	Low	64.4	Low	122 Å²	122	76.6 Å²	76.6	65%	0.652	43%	0.427	S	S	*	.			trans	-71.1	94	168.3	-77.5	-36.1	0	0	0	109	P331 A335 S336	P331-N333 PolarHBondContact O-N 3.39Å; N333-A335 PolarHBondContact O-N 3.38Å; N333-A335 VanDerWaalsContact O-N 3.16Å; N333-S336 WeakPolarHBondContact CB-OG 3.39Å; N333-S336 PolarHBondContact O-N 2.75Å; N333-S336 VanDerWaalsContact O-N 3.08Å; N333-S336 PolarHBondContact O-OG 2.82Å
334	L	49.4	Very low	61.4	Low	119 Å²	119	85.4 Å²	85.4	62%	0.623	47%	0.468	S	S	*	.	H	α-helix	trans	-56.5	-29.3	178.5	-72.5	163.9	0	0	0	112.6	M332 S336 Q337	M332-L334 PolarHBondContact O-N 3.44Å; L334-S336 VanDerWaalsContact C-N 3.31Å; L334-S336 PolarHBondContact O-N 3.27Å; L334-Q337 PolarHBondContact O-N 2.92Å
335	A	44.2	Very low	58.4	Low	74 Å²	74	94.4 Å²	94.4	61%	0.612	51%	0.51	S	S	*	.	H	α-helix	trans	-62.4	-33.4	176.9	0	0	0	0	0	113.5	N333 Q337	N333-A335 PolarHBondContact O-N 3.38Å; N333-A335 VanDerWaalsContact O-N 3.16Å; A335-Q337 VanDerWaalsContact C-N 3.34Å; A335-Q337 PolarHBondContact O-N 3.12Å
336	S	42.4	Very low	55.3	Low	72 Å²	72	98.4 Å²	98.4	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-75.1	-19.4	-179.8	11.1	0	0	0	0	113.8	N333 L334	N333-S336 WeakPolarHBondContact CB-OG 3.39Å; N333-S336 PolarHBondContact O-N 2.75Å; N333-S336 VanDerWaalsContact O-N 3.08Å; N333-S336 PolarHBondContact O-OG 2.82Å; L334-S336 VanDerWaalsContact C-N 3.31Å; L334-S336 PolarHBondContact O-N 3.27Å
337	Q	43.5	Very low	52.5	Low	123 Å²	123	103.5 Å²	103.5	58%	0.575	58%	0.581	S	S	*	*	H	α-helix	trans	-80.3	-28.5	175.4	-74.6	-165.9	-3.9	0	0	112.7	L334 A335 N339	L334-Q337 PolarHBondContact O-N 2.92Å; A335-Q337 VanDerWaalsContact C-N 3.34Å; A335-Q337 PolarHBondContact O-N 3.12Å; Q337-N339 PolarHBondContact O-N 2.92Å
338	M	36.7	Very low	49.6	Very low	170 Å²	170	110.2 Å²	110.2	84%	0.837	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-16.1	176.2	-71.1	-179.5	66.5	0	0	113.2
339	N	36	Very low	46.7	Very low	134 Å²	134	118.9 Å²	118.9	72%	0.717	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	12.8	-175.8	-79.8	-6.9	0	0	0	114.9	Q337 P341	Q337-N339 PolarHBondContact O-N 2.92Å; N339-P341 VanDerWaalsContact C-CD 3.49Å; N339-P341 WeakPolarHBondContact O-CD 3.47Å
340	K	36.1	Very low	44.2	Very low	156 Å²	156	122.6 Å²	122.6	68%	0.678	68%	0.684	S	S	*	*			trans	-102.2	89.1	168.2	-76.2	-169.4	177.7	-179.6	0	110.6	G342	K340-G342 PolarHBondContact O-N 3.41Å
341	P	33.8	Very low	42.3	Very low	132 Å²	132	124.9 Å²	124.9	86%	0.857	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	113.5	167	29	-30.8	0	0	0	108.3	N339	N339-P341 VanDerWaalsContact C-CD 3.49Å; N339-P341 WeakPolarHBondContact O-CD 3.47Å
342	G	40.4	Very low	41.2	Very low	75 Å²	75	130.9 Å²	130.9	77%	0.773	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.6	16.2	163.3	0	0	0	0	0	119.5	K340 Q344	K340-G342 PolarHBondContact O-N 3.41Å; G342-Q344 PolarHBondContact O-N 3.25Å
343	M	36.7	Very low	41.3	Very low	160 Å²	160	133.3 Å²	133.3	79%	0.788	72%	0.724	S	S	*	*			trans	-89.1	104.9	164.9	-85.8	173.5	67.9	0	0	109.9	E345	M343-E345 PolarHBondContact O-N 2.99Å
344	Q	35.6	Very low	42.5	Very low	186 Å²	186	133.9 Å²	133.9	87%	0.869	72%	0.722	S	S	*	*			trans	-47.9	131.2	165	-82.5	170.2	-31.6	0	0	109.7	G342 S346	G342-Q344 PolarHBondContact O-N 3.25Å; Q344-S346 PolarHBondContact O-N 2.88Å
345	E	33.3	Very low	44.5	Very low	190 Å²	190	129 Å²	129	89%	0.888	70%	0.697	S	S	*	*			trans	-60.7	94	172.5	-69.3	-177.6	142.7	0	0	109.7	M343	M343-E345 PolarHBondContact O-N 2.99Å
346	S	30.8	Very low	46.9	Very low	90 Å²	90	125.6 Å²	125.6	63%	0.629	67%	0.669	S	S	*	*			trans	-64.7	131	158.6	53.8	0	0	0	0	108.5	Q344 D348	Q344-S346 PolarHBondContact O-N 2.88Å; S346-D348 CarbonylContact O-C 3.57Å; S346-D348 PolarHBondContact O-N 3.33Å
347	A	35.9	Very low	49.4	Very low	110 Å²	110	122.8 Å²	122.8	91%	0.909	65%	0.648	S	S	*	*	S	Bend	trans	-62.3	-4.2	-174.3	0	0	0	0	0	115.8
348	D	35	Very low	51.8	Low	141 Å²	141	117.2 Å²	117.2	75%	0.754	62%	0.621	S	S	*	*			trans	-93.8	91.5	165.3	-75.8	-35.1	0	0	0	109.1	S346 P350	S346-D348 CarbonylContact O-C 3.57Å; S346-D348 PolarHBondContact O-N 3.33Å; D348-P350 WeakPolarHBondContact O-CD 3.39Å; D348-P350 VanDerWaalsContact O-N 3.09Å
349	K	32	Very low	54.7	Low	182 Å²	182	109.6 Å²	109.6	79%	0.791	58%	0.584	S	S	*	*			trans	-58.3	115.8	159.9	-82.3	-179	177.4	175.9	0	106	T351	K349-T351 PolarHBondContact O-N 3.17Å
350	P	39.2	Very low	57.6	Low	118 Å²	118	106 Å²	106	77%	0.766	56%	0.564	S	S	*	*			trans	-57.3	116.9	171.7	22.8	-29.7	0	0	0	106	D348 R352	D348-P350 WeakPolarHBondContact O-CD 3.39Å; D348-P350 VanDerWaalsContact O-N 3.09Å; P350-R352 PolarHBondContact O-N 2.8Å
351	T	47.7	Very low	60.4	Low	125 Å²	125	99.3 Å²	99.3	77%	0.767	54%	0.535	S	S	*	.			trans	-47.6	119.1	173	18.3	0	0	0	0	106.5	K349 R353	K349-T351 PolarHBondContact O-N 3.17Å; T351-R353 PolarHBondContact O-N 3.05Å
352	R	55.4	Low	63.4	Low	169 Å²	169	95.8 Å²	95.8	64%	0.638	51%	0.506	S	S	*	.			trans	-49.3	114	-179	-169.3	178.6	-175.9	-179.8	-1.7	106.8	P350 E354	P350-R352 PolarHBondContact O-N 2.8Å; R352-E354 PolarHBondContact O-N 3.28Å
353	R	67.8	Low	66	Low	152 Å²	152	95 Å²	95	57%	0.574	48%	0.481	S	S	*	.			trans	-74.9	94.8	-177	-66.3	-173	-176.5	177	4.2	107.7	R329 T351 E558	R329-R353 VanDerWaalsContact CD-O 3.31Å; R329-R353 WeakPolarHBondContact CD-O 3.17Å; R329-R353 PolarHBondContact NE-O 3.21Å; T351-R353 PolarHBondContact O-N 3.05Å; R353-E558 IonicContact CZ-OE1 3.37Å; R353-E558 IonicContact CZ-OE2 3.03Å; R353-E558 IonicContact NH1-OE1 3.94Å; R353-E558 PolarHBondContact NH1-OE1 3.39Å; R353-E558 IonicContact NH1-OE2 3.73Å; R353-E558 PolarHBondContact NH1-OE2 3.37Å
354	E	81.5	Confident	68.8	Low	133 Å²	133	87.5 Å²	87.5	62%	0.621	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-71.2	158.2	-179.2	-68.9	174.7	179.4	0	0	111.1	R352	R352-E354 PolarHBondContact O-N 3.28Å
355	N	90.7	Very high	71.6	Confident	18 Å²	18	80.2 Å²	80.2	10%	0.096	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-75.4	149.4	170.1	-75	-39.3	0	0	0	109.4	S165 E328 R329	S165-N355 PolarHBondContact O-ND2 2.94Å; E328-N355 WeakPolarHBondContact CA-OD1 3.34Å; R329-N355 WeakPolarHBondContact CG-OD1 3.2Å; R329-N355 PolarHBondContact N-OD1 3.45Å
356	P	94.4	Very high	74.6	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.013	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-62.2	144	167.2	29	-35.7	0	0	0	109.9	S165 L298 A299 L327 K358 F559	S165-P356 WeakPolarHBondContact CB-O 3.31Å; L298-P356 HydrophobicContact CD2-CB 4.13Å; L298-P356 HydrophobicContact CD2-CG 4.01Å; L298-P356 HydrophobicContact CG-CB 3.81Å; L298-P356 HydrophobicContact CG-CG 4.24Å; A299-P356 CarbonylContact O-C 3.33Å; A299-P356 WeakPolarHBondContact O-CA 3.47Å; L327-P356 HydrophobicContact CB-CG 4.31Å; P356-K358 PolarHBondContact O-NZ 3.25Å; P356-F559 VanDerWaalsContact CD-CE2 3.49Å; P356-F559 HydrophobicContact CG-CD2 4.42Å; P356-F559 HydrophobicContact CG-CE2 4.27Å
357	H	94.3	Very high	77.7	Confident	13 Å²	13	73 Å²	73	6%	0.06	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.2	172.6	178	-86.1	0	0	0	110	Q107 R163 A299 D300 A301 Y359	Q107-H357 PolarHBondContact NE2-CD2 3.28Å; Q107-H357 VanDerWaalsContact NE2-CD2 3.29Å; R163-H357 PolarHBondContact O-CD2 3.2Å; R163-H357 VanDerWaalsContact O-CD2 3.25Å; R163-H357 PolarHBondContact O-NE2 3.03Å; A299-H357 PolarHBondContact O-N 2.83Å; D300-H357 CarbonylContact C-O 3.54Å; D300-H357 WeakPolarHBondContact CA-O 3.42Å; D300-H357 IonicContact OD1-ND1 3.4Å; A301-H357 PolarHBondContact N-O 2.88Å; H357-Y359 AromaticContact CE1-CD1 3.59Å; H357-Y359 AromaticContact CE1-CD2 3.76Å; H357-Y359 AromaticContact CE1-CE1 3.28Å; H357-Y359 WeakPolarHBondContact CE1-CE1 3.5Å; H357-Y359 AromaticContact CE1-CE2 3.4Å; H357-Y359 WeakPolarHBondContact CE1-CE2 3.3Å; H357-Y359 AromaticContact CE1-CG 3.86Å; H357-Y359 AromaticContact CE1-CZ 3.18Å; H357-Y359 AromaticContact ND1-CD2 3.71Å; H357-Y359 AromaticContact ND1-CE2 3.25Å; H357-Y359 VanDerWaalsContact ND1-CE2 3.25Å; H357-Y359 WeakPolarHBondContact ND1-CE2 3.28Å; H357-Y359 AromaticContact ND1-CZ 3.48Å
358	K	95.6	Very high	80.5	Confident	5 Å²	5	72.4 Å²	72.4	2%	0.022	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.5	-172.9	-67.8	168.6	-73.7	-80.1	0	111.2	S165 A301 I303 L324 L327 P356	S165-K358 WeakPolarHBondContact OG-CB 3.45Å; S165-K358 PolarHBondContact OG-N 2.92Å; A301-K358 HydrophobicContact CB-CG 4.16Å; A301-K358 CarbonylContact O-C 3.46Å; A301-K358 VanDerWaalsContact O-CA 3.31Å; A301-K358 WeakPolarHBondContact O-CA 3.36Å; I303-K358 HydrophobicContact CD1-CB 4.48Å; I303-K358 HydrophobicContact CD1-CD 4.27Å; I303-K358 HydrophobicContact CD1-CG 4.35Å; L324-K358 HydrophobicContact CD1-CD 3.46Å; L324-K358 VanDerWaalsContact CD1-CD 3.46Å; L324-K358 VanDerWaalsContact CD1-CE 3.42Å; L327-K358 HydrophobicContact CB-CD 3.99Å; L327-K358 PolarHBondContact O-NZ 2.72Å; P356-K358 PolarHBondContact O-NZ 3.25Å
359	Y	96.4	Very high	83.4	Confident	11 Å²	11	65.8 Å²	65.8	4%	0.043	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.7	168.5	-62.9	-77.5	0	0	0	109.5	Q104 A301 L302 I303 H357 F372 S376	Q104-Y359 WeakPolarHBondContact O-CE1 3.26Å; A301-Y359 PolarHBondContact O-N 3.02Å; L302-Y359 HydrophobicContact CD1-CD2 4.03Å; L302-Y359 HydrophobicContact CG-CD2 4.21Å; I303-Y359 PolarHBondContact N-O 3.42Å; H357-Y359 AromaticContact CE1-CD1 3.59Å; H357-Y359 AromaticContact CE1-CD2 3.76Å; H357-Y359 AromaticContact CE1-CE1 3.28Å; H357-Y359 WeakPolarHBondContact CE1-CE1 3.5Å; H357-Y359 AromaticContact CE1-CE2 3.4Å; H357-Y359 WeakPolarHBondContact CE1-CE2 3.3Å; H357-Y359 AromaticContact CE1-CG 3.86Å; H357-Y359 AromaticContact CE1-CZ 3.18Å; H357-Y359 AromaticContact ND1-CD2 3.71Å; H357-Y359 AromaticContact ND1-CE2 3.25Å; H357-Y359 VanDerWaalsContact ND1-CE2 3.25Å; H357-Y359 WeakPolarHBondContact ND1-CE2 3.28Å; H357-Y359 AromaticContact ND1-CZ 3.48Å; Y359-F372 AromaticContact CD1-CD1 3.37Å; Y359-F372 HydrophobicContact CD1-CD1 3.37Å; Y359-F372 AromaticContact CD1-CE1 3.42Å; Y359-F372 HydrophobicContact CD1-CE1 3.42Å; Y359-F372 VanDerWaalsContact CD1-CE1 3.42Å; Y359-F372 HydrophobicContact CD2-CD1 4.47Å; Y359-F372 AromaticContact CE1-CD1 3.79Å; Y359-F372 HydrophobicContact CE1-CD1 3.79Å; Y359-F372 AromaticContact CE1-CE1 3.9Å; Y359-F372 HydrophobicContact CE1-CE1 3.9Å; Y359-F372 AromaticContact CG-CD1 3.72Å; Y359-F372 HydrophobicContact CG-CD1 3.72Å; Y359-F372 HydrophobicContact CG-CE1 4.15Å; Y359-S376 WeakPolarHBondContact CE2-OG 3.28Å
360	L	96.8	Very high	86.5	Confident	57 Å²	57	60.8 Å²	60.8	30%	0.298	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	114.3	177.8	-54.7	-180	0	0	0	108.9	L162 I303 L316 M320 L324	L162-L360 HydrophobicContact CD2-CD1 4.14Å; I303-L360 HydrophobicContact CB-CD2 3.93Å; I303-L360 HydrophobicContact CD1-CD2 3.93Å; I303-L360 HydrophobicContact CG1-CD2 4.39Å; I303-L360 HydrophobicContact CG2-CD2 4.26Å; L316-L360 HydrophobicContact CD1-CD1 4.12Å; M320-L360 HydrophobicContact CE-CB 4.03Å; L324-L360 HydrophobicContact CD1-CD2 4.42Å; L324-L360 HydrophobicContact CD2-CD1 4.13Å
361	L	96.6	Very high	89.2	Confident	16 Å²	16	57.9 Å²	57.9	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	101.5	-176.6	-57.7	178.2	0	0	0	110	L302 I303 I304 G305 P364 L369 F372	L302-L361 HydrophobicContact CD2-CD1 4.33Å; I303-L361 PolarHBondContact O-N 3.32Å; I304-L361 WeakPolarHBondContact CA-O 3.48Å; I304-L361 HydrophobicContact CG1-CB 4.23Å; I304-L361 HydrophobicContact CG1-CD1 4.31Å; G305-L361 PolarHBondContact N-O 3.09Å; L361-P364 HydrophobicContact CB-CB 4.05Å; L361-P364 HydrophobicContact CB-CG 3.83Å; L361-L369 HydrophobicContact CD1-CD1 3.86Å; L361-F372 HydrophobicContact CD1-CB 4.19Å; L361-F372 HydrophobicContact CD1-CD2 4.31Å; L361-F372 HydrophobicContact CD1-CG 4.16Å; L361-F372 HydrophobicContact CD2-CD1 4.23Å; L361-F372 HydrophobicContact CD2-CD2 3.98Å; L361-F372 HydrophobicContact CD2-CE1 4.02Å; L361-F372 HydrophobicContact CD2-CE2 3.75Å; L361-F372 HydrophobicContact CD2-CG 4.19Å; L361-F372 HydrophobicContact CD2-CZ 3.74Å
362	Y	95.8	Very high	91.5	Very high	59 Å²	59	52.8 Å²	52.8	23%	0.231	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121	174.6	178.6	-112.2	0	0	0	110.5	G305 K312 E315 T317 M320 P364	G305-Y362 WeakPolarHBondContact O-CD2 3.49Å; K312-Y362 HydrophobicContact CD-CE1 4.07Å; K312-Y362 HydrophobicContact CD-CE2 4.16Å; K312-Y362 WeakPolarHBondContact CD-OH 3.42Å; E315-Y362 HydrophobicContact CB-CD1 3.85Å; E315-Y362 HydrophobicContact CB-CG 4.17Å; E315-Y362 HydrophobicContact CG-CD1 4.13Å; E315-Y362 WeakPolarHBondContact O-CB 3.2Å; T317-Y362 HydrophobicContact CG2-CD2 3.71Å; T317-Y362 HydrophobicContact CG2-CE2 3.55Å; M320-Y362 HydrophobicContact SD-CD2 4.25Å; Y362-P364 VanDerWaalsContact C-CD 3.48Å; Y362-P364 VanDerWaalsContact C-N 3.34Å
363	K	94.7	Very high	93.5	Very high	57 Å²	57	44.8 Å²	44.8	25%	0.248	21%	0.213	C	C	.	.	S	Bend	trans	45	49.1	-176.5	-51.2	-161.1	164.5	-176.9	0	113.8	G305 N306 T414 N415	G305-K363 PolarHBondContact O-N 3.38Å; N306-K363 HydrophobicContact CB-CG 4.29Å; N306-K363 VanDerWaalsContact OD1-CD 3.32Å; N306-K363 WeakPolarHBondContact OD1-CD 3.46Å; N306-K363 VanDerWaalsContact OD1-CE 3.27Å; N306-K363 WeakPolarHBondContact OD1-CE 3.48Å; N306-K363 WeakPolarHBondContact OD1-CG 3.41Å; K363-T414 CarbonylContact C-O 3.6Å; K363-T414 VanDerWaalsContact C-O 3.3Å; K363-T414 WeakPolarHBondContact CA-O 3.29Å; K363-N415 VanDerWaalsContact O-CG 3.29Å; K363-N415 PolarHBondContact O-ND2 3.33Å; K363-N415 VanDerWaalsContact O-ND2 3.08Å
364	P	95.7	Very high	94.8	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.026	20%	0.203	C	C	.	.			trans	-66.7	139.2	-178.2	30.8	-35.9	0	0	0	110.2	I304 L361 Y362 Q368 L369 T414 N415	I304-P364 HydrophobicContact CG2-CG 3.88Å; L361-P364 HydrophobicContact CB-CB 4.05Å; L361-P364 HydrophobicContact CB-CG 3.83Å; Y362-P364 VanDerWaalsContact C-CD 3.48Å; Y362-P364 VanDerWaalsContact C-N 3.34Å; P364-Q368 HydrophobicContact CB-CB 4.2Å; P364-L369 HydrophobicContact CB-CB 4.37Å; P364-L369 HydrophobicContact CG-CB 4.28Å; P364-T414 WeakPolarHBondContact CD-O 3.41Å; P364-T414 CarbonylContact O-C 3.52Å; P364-T414 VanDerWaalsContact O-CB 3.28Å; P364-T414 WeakPolarHBondContact O-CB 3.38Å; P364-N415 WeakPolarHBondContact O-CB 3.43Å
365	T	95.3	Very high	95.4	Very high	32 Å²	32	34 Å²	34	20%	0.196	18%	0.179	C	C	.	.			trans	-56	152.4	162.1	59.3	0	0	0	0	110.3	S367 Q368 L369 N415	T365-S367 PolarHBondContact O-N 3.43Å; T365-S367 PolarHBondContact OG1-OG 3.27Å; T365-Q368 WeakPolarHBondContact O-CB 3.47Å; T365-Q368 PolarHBondContact O-N 3.15Å; T365-Q368 VanDerWaalsContact O-N 3.08Å; T365-Q368 WeakPolarHBondContact OG1-CB 3.43Å; T365-Q368 WeakPolarHBondContact OG1-CG 3.18Å; T365-Q368 PolarHBondContact OG1-N 3.36Å; T365-Q368 PolarHBondContact OG1-OE1 2.74Å; T365-L369 PolarHBondContact O-N 2.88Å; T365-N415 WeakPolarHBondContact CG2-ND2 3.42Å
366	F	95.6	Very high	95.6	Very high	54 Å²	54	33.1 Å²	33.1	24%	0.237	17%	0.174	C	C	.	.	H	α-helix	trans	-50.5	-44	174.6	176.5	-92.3	0	0	0	112.1	Q368 L369 Y370 T414 L439 D443	F366-Q368 PolarHBondContact O-N 3.19Å; F366-L369 PolarHBondContact O-N 3.46Å; F366-Y370 HydrophobicContact CE1-CD2 4.15Å; F366-Y370 HydrophobicContact CE1-CG 4.37Å; F366-Y370 HydrophobicContact CE2-CD2 4.43Å; F366-Y370 AromaticContact CZ-CD2 3.77Å; F366-Y370 HydrophobicContact CZ-CD2 3.77Å; F366-Y370 HydrophobicContact CZ-CE2 4.33Å; F366-Y370 HydrophobicContact CZ-CG 4.43Å; F366-Y370 WeakPolarHBondContact O-CB 3.25Å; F366-Y370 PolarHBondContact O-N 2.94Å; F366-T414 PolarHBondContact N-OG1 3.14Å; F366-L439 HydrophobicContact CE2-CD1 4.16Å; F366-D443 HydrophobicContact CE2-CB 4.27Å; F366-D443 HydrophobicContact CZ-CB 4.43Å
367	S	95.3	Very high	95.6	Very high	74 Å²	74	35.2 Å²	35.2	52%	0.517	18%	0.183	S	C	.	.	H	α-helix	trans	-64.5	-40.2	179.5	57.5	0	0	0	0	113	T365 T371	T365-S367 PolarHBondContact O-N 3.43Å; T365-S367 PolarHBondContact OG1-OG 3.27Å; S367-T371 WeakPolarHBondContact O-CB 3.49Å; S367-T371 PolarHBondContact O-N 2.84Å; S367-T371 PolarHBondContact O-OG1 2.95Å
368	Q	95.4	Very high	95.6	Very high	98 Å²	98	43 Å²	43	46%	0.458	22%	0.217	S	C	.	.	H	α-helix	trans	-59.9	-55.8	171.7	-76	164	-26.1	0	0	110	P364 T365 F366 Y370 T371 F372	P364-Q368 HydrophobicContact CB-CB 4.2Å; T365-Q368 WeakPolarHBondContact O-CB 3.47Å; T365-Q368 PolarHBondContact O-N 3.15Å; T365-Q368 VanDerWaalsContact O-N 3.08Å; T365-Q368 WeakPolarHBondContact OG1-CB 3.43Å; T365-Q368 WeakPolarHBondContact OG1-CG 3.18Å; T365-Q368 PolarHBondContact OG1-N 3.36Å; T365-Q368 PolarHBondContact OG1-OE1 2.74Å; F366-Q368 PolarHBondContact O-N 3.19Å; Q368-Y370 VanDerWaalsContact C-N 3.31Å; Q368-Y370 PolarHBondContact O-N 2.98Å; Q368-T371 WeakPolarHBondContact O-CB 3.45Å; Q368-T371 PolarHBondContact O-N 2.89Å; Q368-F372 VanDerWaalsContact O-CD2 3.31Å; Q368-F372 WeakPolarHBondContact O-CD2 3.29Å; Q368-F372 PolarHBondContact O-N 3Å; Q368-F372 VanDerWaalsContact O-N 3.11Å
369	L	96.6	Very high	95.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-53.7	-48.2	179.9	175.4	56.6	0	0	0	111.9	L302 I304 L361 P364 T365 F366 T371 F372 L373 T414 L439	L302-L369 HydrophobicContact CD2-CD1 3.96Å; I304-L369 HydrophobicContact CD1-CD1 4Å; I304-L369 HydrophobicContact CG1-CD1 3.86Å; L361-L369 HydrophobicContact CD1-CD1 3.86Å; P364-L369 HydrophobicContact CB-CB 4.37Å; P364-L369 HydrophobicContact CG-CB 4.28Å; T365-L369 PolarHBondContact O-N 2.88Å; F366-L369 PolarHBondContact O-N 3.46Å; L369-T371 VanDerWaalsContact C-N 3.28Å; L369-T371 PolarHBondContact O-N 3.31Å; L369-F372 PolarHBondContact O-N 3.24Å; L369-L373 HydrophobicContact CD1-CD1 4.22Å; L369-L373 HydrophobicContact CD1-CG 4.24Å; L369-L373 HydrophobicContact CG-CD1 4.08Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 2.98Å; L369-T414 HydrophobicContact CD2-CG2 3.61Å; L369-L439 HydrophobicContact CD2-CD1 4.33Å; L369-L439 HydrophobicContact CD2-CD2 4.05Å
370	Y	96.4	Very high	95.1	Very high	78 Å²	78	45.9 Å²	45.9	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-32.7	-179.2	-155.7	-88.8	0	0	0	112.5	F366 Q368 A374 F447	F366-Y370 HydrophobicContact CE1-CD2 4.15Å; F366-Y370 HydrophobicContact CE1-CG 4.37Å; F366-Y370 HydrophobicContact CE2-CD2 4.43Å; F366-Y370 AromaticContact CZ-CD2 3.77Å; F366-Y370 HydrophobicContact CZ-CD2 3.77Å; F366-Y370 HydrophobicContact CZ-CE2 4.33Å; F366-Y370 HydrophobicContact CZ-CG 4.43Å; F366-Y370 WeakPolarHBondContact O-CB 3.25Å; F366-Y370 PolarHBondContact O-N 2.94Å; Q368-Y370 VanDerWaalsContact C-N 3.31Å; Q368-Y370 PolarHBondContact O-N 2.98Å; Y370-A374 WeakPolarHBondContact O-CB 3.32Å; Y370-A374 PolarHBondContact O-N 2.91Å; Y370-F447 HydrophobicContact CD1-CZ 4.44Å; Y370-F447 HydrophobicContact CD2-CE2 4.15Å; Y370-F447 HydrophobicContact CD2-CZ 4.3Å; Y370-F447 HydrophobicContact CE1-CZ 4.05Å; Y370-F447 AromaticContact CE2-CE2 3.64Å; Y370-F447 HydrophobicContact CE2-CE2 3.64Å; Y370-F447 AromaticContact CE2-CZ 3.89Å; Y370-F447 HydrophobicContact CE2-CZ 3.89Å; Y370-F447 AromaticContact CZ-CE2 3.91Å; Y370-F447 AromaticContact CZ-CZ 3.75Å
371	T	95.7	Very high	94.9	Very high	56 Å²	56	46.7 Å²	46.7	34%	0.344	24%	0.239	S	C	.	.	H	α-helix	trans	-65.1	-45	174.1	-59.2	0	0	0	0	111.6	Y105 S367 Q368 L369 A374 A375	Y105-T371 HydrophobicContact CD1-CG2 4Å; Y105-T371 HydrophobicContact CD2-CG2 4.32Å; Y105-T371 HydrophobicContact CE1-CG2 3.53Å; Y105-T371 HydrophobicContact CE2-CG2 3.88Å; Y105-T371 HydrophobicContact CG-CG2 4.38Å; Y105-T371 VanDerWaalsContact CZ-CG2 3.46Å; S367-T371 WeakPolarHBondContact O-CB 3.49Å; S367-T371 PolarHBondContact O-N 2.84Å; S367-T371 PolarHBondContact O-OG1 2.95Å; Q368-T371 WeakPolarHBondContact O-CB 3.45Å; Q368-T371 PolarHBondContact O-N 2.89Å; L369-T371 VanDerWaalsContact C-N 3.28Å; L369-T371 PolarHBondContact O-N 3.31Å; T371-A374 PolarHBondContact O-N 2.99Å; T371-A375 WeakPolarHBondContact O-CB 3.14Å; T371-A375 PolarHBondContact O-N 3.32Å
372	F	95.7	Very high	94.4	Very high	19 Å²	19	50 Å²	50	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-42.5	176.3	-80.2	-100.6	0	0	0	111.4	Q104 Y105 L302 Y359 L361 Q368 L369 A374 A375 S376	Q104-F372 HydrophobicContact CB-CE1 4.01Å; Q104-F372 HydrophobicContact CB-CZ 3.6Å; Y105-F372 HydrophobicContact CD1-CD2 4.23Å; Y105-F372 HydrophobicContact CD1-CE1 4.38Å; Y105-F372 HydrophobicContact CD1-CE2 4.01Å; Y105-F372 HydrophobicContact CD1-CZ 4.13Å; L302-F372 HydrophobicContact CD2-CB 3.87Å; Y359-F372 AromaticContact CD1-CD1 3.37Å; Y359-F372 HydrophobicContact CD1-CD1 3.37Å; Y359-F372 AromaticContact CD1-CE1 3.42Å; Y359-F372 HydrophobicContact CD1-CE1 3.42Å; Y359-F372 VanDerWaalsContact CD1-CE1 3.42Å; Y359-F372 HydrophobicContact CD2-CD1 4.47Å; Y359-F372 AromaticContact CE1-CD1 3.79Å; Y359-F372 HydrophobicContact CE1-CD1 3.79Å; Y359-F372 AromaticContact CE1-CE1 3.9Å; Y359-F372 HydrophobicContact CE1-CE1 3.9Å; Y359-F372 AromaticContact CG-CD1 3.72Å; Y359-F372 HydrophobicContact CG-CD1 3.72Å; Y359-F372 HydrophobicContact CG-CE1 4.15Å; L361-F372 HydrophobicContact CD1-CB 4.19Å; L361-F372 HydrophobicContact CD1-CD2 4.31Å; L361-F372 HydrophobicContact CD1-CG 4.16Å; L361-F372 HydrophobicContact CD2-CD1 4.23Å; L361-F372 HydrophobicContact CD2-CD2 3.98Å; L361-F372 HydrophobicContact CD2-CE1 4.02Å; L361-F372 HydrophobicContact CD2-CE2 3.75Å; L361-F372 HydrophobicContact CD2-CG 4.19Å; L361-F372 HydrophobicContact CD2-CZ 3.74Å; Q368-F372 VanDerWaalsContact O-CD2 3.31Å; Q368-F372 WeakPolarHBondContact O-CD2 3.29Å; Q368-F372 PolarHBondContact O-N 3Å; Q368-F372 VanDerWaalsContact O-N 3.11Å; L369-F372 PolarHBondContact O-N 3.24Å; F372-A374 PolarHBondContact O-N 3.04Å; F372-A375 PolarHBondContact O-N 2.98Å; F372-S376 WeakPolarHBondContact O-CB 3.48Å; F372-S376 PolarHBondContact O-N 3.31Å
373	L	96.8	Very high	94.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-46.7	174.8	-75.2	170.7	0	0	0	111.8	L302 L369 F377 L386 I388 L444 F447	L302-L373 HydrophobicContact CD2-CD2 3.65Å; L302-L373 HydrophobicContact CD2-CG 3.78Å; L369-L373 HydrophobicContact CD1-CD1 4.22Å; L369-L373 HydrophobicContact CD1-CG 4.24Å; L369-L373 HydrophobicContact CG-CD1 4.08Å; L369-L373 WeakPolarHBondContact O-CG 3.44Å; L369-L373 PolarHBondContact O-N 2.98Å; L373-F377 WeakPolarHBondContact O-CB 3.49Å; L373-F377 PolarHBondContact O-N 3.4Å; L373-L386 HydrophobicContact CD2-CD2 4.18Å; L373-I388 HydrophobicContact CD2-CD1 3.45Å; L373-I388 VanDerWaalsContact CD2-CD1 3.45Å; L373-I388 HydrophobicContact CD2-CG1 3.89Å; L373-L444 HydrophobicContact CD1-CD2 4.11Å; L373-F447 HydrophobicContact CB-CD1 4.39Å; L373-F447 HydrophobicContact CB-CD2 4.42Å; L373-F447 HydrophobicContact CB-CE1 3.87Å; L373-F447 HydrophobicContact CB-CE2 3.91Å; L373-F447 HydrophobicContact CB-CZ 3.6Å; L373-F447 HydrophobicContact CD1-CD2 4.37Å; L373-F447 HydrophobicContact CD1-CE2 3.98Å; L373-F447 HydrophobicContact CD1-CZ 4.48Å
374	A	95.9	Very high	94.2	Very high	43 Å²	43	49.7 Å²	49.7	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-40	178	0	0	0	0	0	112.8	Y370 T371 F372 K378 F447	Y370-A374 WeakPolarHBondContact O-CB 3.32Å; Y370-A374 PolarHBondContact O-N 2.91Å; T371-A374 PolarHBondContact O-N 2.99Å; F372-A374 PolarHBondContact O-N 3.04Å; A374-K378 WeakPolarHBondContact O-CB 3.37Å; A374-K378 PolarHBondContact O-N 3.01Å; A374-F447 HydrophobicContact CB-CE1 4.39Å
375	A	94.4	Very high	94.2	Very high	14 Å²	14	49.5 Å²	49.5	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-51	176.8	0	0	0	0	0	111.5	Y105 T371 F372 F377 K378 E379	Y105-A375 HydrophobicContact CD2-CB 3.8Å; Y105-A375 HydrophobicContact CG-CB 4.1Å; T371-A375 WeakPolarHBondContact O-CB 3.14Å; T371-A375 PolarHBondContact O-N 3.32Å; F372-A375 PolarHBondContact O-N 2.98Å; A375-F377 PolarHBondContact O-N 3.25Å; A375-K378 PolarHBondContact O-N 3.28Å; A375-E379 PolarHBondContact O-N 3.36Å; A375-E379 VanDerWaalsContact O-N 3.08Å
376	S	94	Very high	94.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-48.7	175.2	-82.5	0	0	0	0	111.6	D300 Y359 F372 K378 E379 L380	D300-S376 VanDerWaalsContact OD2-CB 3.25Å; D300-S376 WeakPolarHBondContact OD2-CB 3.37Å; D300-S376 PolarHBondContact OD2-OG 3.3Å; Y359-S376 WeakPolarHBondContact CE2-OG 3.28Å; F372-S376 WeakPolarHBondContact O-CB 3.48Å; F372-S376 PolarHBondContact O-N 3.31Å; S376-K378 VanDerWaalsContact C-N 3.28Å; S376-K378 PolarHBondContact O-N 2.98Å; S376-E379 CarbonylContact O-C 3.43Å; S376-E379 PolarHBondContact O-N 3.13Å; S376-E379 VanDerWaalsContact O-N 3.13Å; S376-L380 VanDerWaalsContact O-CB 3.3Å; S376-L380 WeakPolarHBondContact O-CB 3.33Å; S376-L380 PolarHBondContact O-N 2.98Å
377	F	94.6	Very high	94.5	Very high	47 Å²	47	45.5 Å²	45.5	21%	0.206	25%	0.254	C	S	.	.	H	α-helix	trans	-57.8	-40.8	178.8	178	-90	0	0	0	112.8	L373 A375 F447 R449 K450	L373-F377 WeakPolarHBondContact O-CB 3.49Å; L373-F377 PolarHBondContact O-N 3.4Å; A375-F377 PolarHBondContact O-N 3.25Å; F377-F447 HydrophobicContact CB-CD1 3.76Å; F377-F447 HydrophobicContact CB-CE1 4.2Å; F377-F447 HydrophobicContact CD2-CB 4.3Å; F377-F447 AromaticContact CD2-CD1 3.99Å; F377-F447 HydrophobicContact CD2-CD1 3.99Å; F377-F447 AromaticContact CG-CD1 3.9Å; F377-F447 HydrophobicContact CG-CD1 3.9Å; F377-R449 HydrophobicContact CE2-CB 3.9Å; F377-R449 HydrophobicContact CZ-CB 3.71Å; F377-K450 HydrophobicContact CD2-CB 4.28Å; F377-K450 HydrophobicContact CD2-CD 3.79Å; F377-K450 HydrophobicContact CD2-CG 4.17Å; F377-K450 HydrophobicContact CE2-CB 3.85Å; F377-K450 HydrophobicContact CE2-CD 3.6Å; F377-K450 HydrophobicContact CE2-CG 3.56Å; F377-K450 HydrophobicContact CG-CD 4.37Å; F377-K450 HydrophobicContact CZ-CD 4.03Å; F377-K450 HydrophobicContact CZ-CG 4.04Å; F377-K450 VanDerWaalsContact O-CE 3.23Å; F377-K450 WeakPolarHBondContact O-CE 3.29Å
378	K	93.7	Very high	94.7	Very high	176 Å²	176	42 Å²	42	77%	0.765	23%	0.229	S	C	*	.	H	α-helix	trans	-65.8	-38.8	178.2	-179.9	-175.8	176.5	-174.6	0	112.1	A374 A375 S376	A374-K378 WeakPolarHBondContact O-CB 3.37Å; A374-K378 PolarHBondContact O-N 3.01Å; A375-K378 PolarHBondContact O-N 3.28Å; S376-K378 VanDerWaalsContact C-N 3.28Å; S376-K378 PolarHBondContact O-N 2.98Å
379	E	91.1	Very high	94.8	Very high	70 Å²	70	37.3 Å²	37.3	33%	0.327	21%	0.207	S	C	.	.	H	α-helix	trans	-92.9	-12.2	-174.5	-64.4	-174.3	168.5	0	0	113.6	G106 Q107 A375 S376 P381	G106-E379 WeakPolarHBondContact CA-OE1 3.38Å; G106-E379 VanDerWaalsContact CA-OE2 3.29Å; G106-E379 WeakPolarHBondContact CA-OE2 3.42Å; Q107-E379 WeakPolarHBondContact CG-OE2 3.27Å; Q107-E379 PolarHBondContact N-OE1 3.02Å; Q107-E379 PolarHBondContact N-OE2 3.13Å; A375-E379 PolarHBondContact O-N 3.36Å; A375-E379 VanDerWaalsContact O-N 3.08Å; S376-E379 CarbonylContact O-C 3.43Å; S376-E379 PolarHBondContact O-N 3.13Å; S376-E379 VanDerWaalsContact O-N 3.13Å; E379-P381 WeakPolarHBondContact O-CD 3.36Å
380	L	92.3	Very high	94.9	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-59.7	121.9	-178.4	-162.8	72.1	0	0	0	110.6	A299 D300 S376 S384 L386 K450	A299-L380 HydrophobicContact CB-CD1 3.93Å; D300-L380 HydrophobicContact CB-CD1 4.15Å; S376-L380 VanDerWaalsContact O-CB 3.3Å; S376-L380 WeakPolarHBondContact O-CB 3.33Å; S376-L380 PolarHBondContact O-N 2.98Å; L380-S384 WeakPolarHBondContact CD2-O 3.39Å; L380-L386 HydrophobicContact CD1-CB 4.5Å; L380-L386 HydrophobicContact CD2-CB 4.03Å; L380-K450 HydrophobicContact CB-CD 4.06Å; L380-K450 HydrophobicContact CD2-CB 4.15Å; L380-K450 HydrophobicContact CD2-CD 3.9Å; L380-K450 PolarHBondContact O-NZ 3.28Å
381	P	90.8	Very high	94.9	Very high	74 Å²	74	33.6 Å²	33.6	48%	0.481	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-60.5	169.5	178.4	-21.9	32	0	0	0	113.5	E379	E379-P381 WeakPolarHBondContact O-CD 3.36Å
382	A	87.8	Confident	94.9	Very high	86 Å²	86	31 Å²	31	71%	0.711	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	144.1	168.3	0	0	0	0	0	109.8	S384	A382-S384 PolarHBondContact O-N 2.86Å
383	N	89.8	Confident	94.7	Very high	102 Å²	102	32.3 Å²	32.3	55%	0.545	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	24.3	-176.9	-52.1	-28.2	0	0	0	114.3	L296 S297	L296-N383 VanDerWaalsContact CA-O 3.31Å; L296-N383 WeakPolarHBondContact CA-O 3.42Å; L296-N383 HydrophobicContact CD2-CB 4.35Å; S297-N383 PolarHBondContact N-O 2.65Å; S297-N383 VanDerWaalsContact N-O 3.07Å
384	S	94.7	Very high	94.6	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.9	174.5	-67.9	0	0	0	0	112	S297 L380 A382	S297-S384 CarbonylContact O-C 3.48Å; S297-S384 VanDerWaalsContact O-CA 3.24Å; S297-S384 WeakPolarHBondContact O-CA 3.34Å; S297-S384 PolarHBondContact OG-OG 3.28Å; L380-S384 WeakPolarHBondContact CD2-O 3.39Å; A382-S384 PolarHBondContact O-N 2.86Å
385	V	96.9	Very high	94.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.2	-178	-175.3	0	0	0	0	109.8	L296 S297 L298 A299 D300 P451 F453 F554 L560	L296-V385 HydrophobicContact CB-CG2 3.71Å; L296-V385 HydrophobicContact CD1-CG2 4.05Å; L296-V385 HydrophobicContact CG-CG2 4.35Å; S297-V385 PolarHBondContact O-N 3.26Å; L298-V385 HydrophobicContact CD1-CB 4.21Å; L298-V385 HydrophobicContact CD1-CG1 4.28Å; A299-V385 PolarHBondContact N-O 2.81Å; D300-V385 PolarHBondContact N-O 3.23Å; V385-P451 HydrophobicContact CG2-CB 4.18Å; V385-F453 HydrophobicContact CG1-CB 3.85Å; V385-F554 HydrophobicContact CB-CE1 4.26Å; V385-F554 HydrophobicContact CG1-CD1 3.96Å; V385-F554 HydrophobicContact CG1-CE1 3.55Å; V385-F554 HydrophobicContact CG2-CD1 3.73Å; V385-F554 HydrophobicContact CG2-CE1 3.69Å; V385-L560 HydrophobicContact CB-CD1 4.21Å; V385-L560 HydrophobicContact CG1-CD1 3.98Å; V385-L560 HydrophobicContact CG2-CD1 3.99Å
386	L	97.9	Very high	94.3	Very high	3 Å²	3	37 Å²	37	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	122.7	162.3	-177.8	60.4	0	0	0	108.4	D300 L302 L373 L380 P451 L452 F453	D300-L386 HydrophobicContact CB-CD1 3.57Å; L302-L386 HydrophobicContact CD1-CD1 3.55Å; L302-L386 HydrophobicContact CD1-CG 4.48Å; L373-L386 HydrophobicContact CD2-CD2 4.18Å; L380-L386 HydrophobicContact CD1-CB 4.5Å; L380-L386 HydrophobicContact CD2-CB 4.03Å; L386-P451 PolarHBondContact N-O 3.07Å; L386-L452 HydrophobicContact CB-CD1 4.1Å; L386-L452 HydrophobicContact CD2-CD1 4.22Å; L386-L452 HydrophobicContact CG-CD1 4.17Å; L386-L452 WeakPolarHBondContact O-CD1 3.28Å; L386-F453 PolarHBondContact O-N 3.36Å
387	L	98.8	Very high	93.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.7	169.8	-177.1	149.5	0	0	0	110.3	L298 D300 A301 L302 L327 F453 I455 L560 L563	L298-L387 HydrophobicContact CD1-CB 3.57Å; L298-L387 HydrophobicContact CD2-CD1 4.35Å; D300-L387 PolarHBondContact O-N 3.07Å; A301-L387 CarbonylContact C-O 3.59Å; A301-L387 VanDerWaalsContact CA-O 3.29Å; A301-L387 WeakPolarHBondContact CA-O 3.35Å; A301-L387 HydrophobicContact CB-CB 4.14Å; A301-L387 HydrophobicContact CB-CD2 4.04Å; L302-L387 PolarHBondContact N-O 3.32Å; L327-L387 HydrophobicContact CD1-CD2 4.2Å; L387-F453 CarbonylContact C-O 3.54Å; L387-F453 VanDerWaalsContact CA-O 3.22Å; L387-F453 WeakPolarHBondContact CA-O 3.36Å; L387-F453 HydrophobicContact CD1-CD1 4.05Å; L387-F453 HydrophobicContact CG-CD1 4.44Å; L387-I455 HydrophobicContact CD1-CD1 4.26Å; L387-L560 HydrophobicContact CD1-CD2 3.81Å; L387-L563 HydrophobicContact CD1-CD1 3.95Å
388	I	98.8	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.6	170	-53	174.3	0	0	0	107.8	I304 L373 L390 L444 L452 F453 I454 I455	I304-I388 HydrophobicContact CD1-CG2 3.84Å; L373-I388 HydrophobicContact CD2-CD1 3.45Å; L373-I388 VanDerWaalsContact CD2-CD1 3.45Å; L373-I388 HydrophobicContact CD2-CG1 3.89Å; I388-L390 HydrophobicContact CG2-CD1 4.27Å; I388-L390 HydrophobicContact CG2-CD2 4.2Å; I388-L390 HydrophobicContact CG2-CG 3.91Å; I388-L444 HydrophobicContact CD1-CD1 4.47Å; I388-L444 HydrophobicContact CD1-CD2 3.95Å; I388-L452 HydrophobicContact CD1-CD1 3.78Å; I388-L452 HydrophobicContact CG1-CD1 4Å; I388-F453 PolarHBondContact N-O 3.48Å; I388-I454 HydrophobicContact CB-CG2 4.5Å; I388-I454 CarbonylContact O-C 3.59Å; I388-I454 WeakPolarHBondContact O-CA 3.41Å; I388-I455 PolarHBondContact O-N 2.94Å
389	Y	98.8	Very high	91.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.3	170.7	171.1	-97.7	0	0	0	109.7	L302 I303 I304 D319 M323 S391 I455 T499	L302-Y389 PolarHBondContact O-N 3.4Å; I303-Y389 HydrophobicContact CB-CD1 4.47Å; I303-Y389 HydrophobicContact CG2-CD1 3.72Å; I303-Y389 HydrophobicContact CG2-CE1 4.27Å; I304-Y389 WeakPolarHBondContact CD1-O 3.14Å; I304-Y389 PolarHBondContact N-O 3.18Å; D319-Y389 WeakPolarHBondContact CB-OH 3.35Å; M323-Y389 HydrophobicContact CB-CD1 4.06Å; M323-Y389 HydrophobicContact CB-CD2 4.46Å; M323-Y389 HydrophobicContact CB-CE1 4.03Å; M323-Y389 HydrophobicContact CB-CE2 4.45Å; M323-Y389 HydrophobicContact CB-CG 4.26Å; M323-Y389 HydrophobicContact CE-CD2 3.58Å; M323-Y389 HydrophobicContact CE-CE2 3.67Å; M323-Y389 HydrophobicContact CE-CG 4.32Å; M323-Y389 HydrophobicContact CG-CD1 3.97Å; M323-Y389 HydrophobicContact CG-CD2 3.97Å; M323-Y389 HydrophobicContact CG-CE1 4.39Å; M323-Y389 HydrophobicContact CG-CE2 4.42Å; M323-Y389 HydrophobicContact CG-CG 3.71Å; M323-Y389 HydrophobicContact SD-CD2 4.4Å; Y389-S391 WeakPolarHBondContact OH-CB 3.45Å; Y389-I455 WeakPolarHBondContact CA-O 3.18Å; Y389-I455 HydrophobicContact CD2-CB 3.85Å; Y389-I455 HydrophobicContact CD2-CG2 3.67Å; Y389-I455 HydrophobicContact CE2-CG2 4.03Å; Y389-T499 WeakPolarHBondContact OH-CB 3.31Å; Y389-T499 VanDerWaalsContact OH-CG2 3.27Å; Y389-T499 WeakPolarHBondContact OH-CG2 3.46Å; Y389-T499 PolarHBondContact OH-OG1 2.8Å
390	L	98.1	Very high	89.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	107.7	-179.7	-64.2	163	0	0	0	109.1	I304 I388 V412 L439 I455 V456 D457	I304-L390 HydrophobicContact CB-CD2 3.94Å; I304-L390 HydrophobicContact CD1-CD2 3.81Å; I304-L390 HydrophobicContact CG1-CD2 4.07Å; I304-L390 HydrophobicContact CG2-CD2 4.21Å; I388-L390 HydrophobicContact CG2-CD1 4.27Å; I388-L390 HydrophobicContact CG2-CD2 4.2Å; I388-L390 HydrophobicContact CG2-CG 3.91Å; L390-V412 HydrophobicContact CB-CG1 4.42Å; L390-L439 HydrophobicContact CD1-CD2 3.68Å; L390-L439 HydrophobicContact CD2-CD2 3.97Å; L390-L439 HydrophobicContact CG-CD2 4.5Å; L390-I455 PolarHBondContact N-O 3.03Å; L390-V456 HydrophobicContact CD1-CG2 4.37Å; L390-D457 WeakPolarHBondContact O-CA 3.25Å; L390-D457 PolarHBondContact O-N 3.21Å
391	S	96.9	Very high	88.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	97.9	165.7	175.8	0	0	0	0	109.4	I304 G305 N306 C307 D319 Y389 D457	I304-S391 PolarHBondContact O-N 3.44Å; G305-S391 CarbonylContact C-O 3.3Å; G305-S391 WeakPolarHBondContact CA-O 3.37Å; N306-S391 PolarHBondContact N-O 2.72Å; C307-S391 PolarHBondContact N-O 2.86Å; C307-S391 PolarHBondContact SG-OG 3.27Å; D319-S391 PolarHBondContact OD2-OG 2.9Å; Y389-S391 WeakPolarHBondContact OH-CB 3.45Å; S391-D457 WeakPolarHBondContact CA-O 3.45Å
392	A	95.1	Very high	86.7	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	161.3	-172.9	0	0	0	0	0	114.8	N306 C307 V412 L413 D457 S458	N306-A392 HydrophobicContact CB-CB 3.79Å; C307-A392 VanDerWaalsContact SG-CA 3.58Å; C307-A392 PolarHBondContact SG-N 2.89Å; C307-A392 VanDerWaalsContact SG-N 3.38Å; A392-V412 HydrophobicContact CB-CG1 3.43Å; A392-V412 VanDerWaalsContact CB-CG1 3.43Å; A392-L413 VanDerWaalsContact CB-O 3.31Å; A392-L413 WeakPolarHBondContact CB-O 3.43Å; A392-D457 PolarHBondContact N-O 3.15Å; A392-S458 WeakPolarHBondContact O-CA 3.45Å; A392-S458 WeakPolarHBondContact O-CB 3.46Å; A392-S458 PolarHBondContact O-OG 2.56Å
393	T	92.5	Very high	85.4	Confident	48 Å²	48	52.2 Å²	52.2	29%	0.294	29%	0.294	S	S	.	.			trans	-62.7	135.1	179.2	-50.7	0	0	0	0	111.4	L413	T393-L413 WeakPolarHBondContact O-CB 3.48Å; T393-L413 PolarHBondContact O-N 3.28Å
394	G	93.4	Very high	84.6	Confident	10 Å²	10	55.7 Å²	55.7	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	143	178.1	0	0	0	0	0	112.6	S458 S459	G394-S458 VanDerWaalsContact CA-OG 3.22Å; G394-S458 WeakPolarHBondContact CA-OG 3.39Å; G394-S458 PolarHBondContact N-OG 2.9Å; G394-S458 VanDerWaalsContact N-OG 3.1Å; G394-S459 WeakPolarHBondContact CA-OG 3.4Å; G394-S459 PolarHBondContact N-OG 3.25Å; G394-S459 VanDerWaalsContact N-OG 3.17Å
395	V	92.8	Very high	83.9	Confident	31 Å²	31	56 Å²	56	19%	0.188	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.4	171.1	178.5	0	0	0	0	107.6	G410 G411 L413 E435 C438 N460	V395-G410 CarbonylContact O-C 3.03Å; V395-G410 WeakPolarHBondContact O-CA 3.29Å; V395-G411 PolarHBondContact N-O 2.74Å; V395-G411 PolarHBondContact O-N 3.4Å; V395-L413 HydrophobicContact CG2-CB 4Å; V395-L413 HydrophobicContact CG2-CD1 3.92Å; V395-E435 HydrophobicContact CG1-CB 4.16Å; V395-C438 HydrophobicContact CB-CB 4.35Å; V395-C438 HydrophobicContact CG1-CB 4.36Å; V395-C438 HydrophobicContact CG2-CB 4.08Å; V395-N460 PolarHBondContact O-ND2 3.34Å
396	F	90.9	Very high	83.4	Confident	114 Å²	114	57.7 Å²	57.7	50%	0.5	32%	0.322	S	S	.	.			trans	-93.8	155.8	-176.2	-61.6	-86.3	0	0	0	111.8	S459 N460	F396-S459 WeakPolarHBondContact CZ-O 3.43Å; F396-N460 HydrophobicContact CD1-CB 4.08Å; F396-N460 HydrophobicContact CE1-CB 3.75Å; F396-N460 HydrophobicContact CZ-CB 4.06Å
397	P	84.7	Confident	83	Confident	69 Å²	69	62.2 Å²	62.2	45%	0.448	34%	0.339	S	S	.	.			trans	-56.5	139	177.3	-23.3	32.6	0	0	0	113.2	D408	P397-D408 VanDerWaalsContact CB-O 3.29Å; P397-D408 WeakPolarHBondContact CB-O 3.19Å; P397-D408 WeakPolarHBondContact CG-O 3.34Å
398	T	70.7	Confident	82.5	Confident	78 Å²	78	64 Å²	64	48%	0.479	35%	0.349	S	S	.	.			trans	-101.9	94.3	176	58	0	0	0	0	109.6
399	G	65.9	Low	82	Confident	66 Å²	66	66.9 Å²	66.9	68%	0.68	36%	0.362	S	S	*	.	S	Bend	trans	94.9	175.5	178.1	0	0	0	0	0	115
400	R	57.5	Low	81.7	Confident	252 Å²	252	67 Å²	67	95%	0.951	36%	0.364	S	S	*	.			trans	-88.6	112.3	175.3	-64.9	-177	-179.7	-172.1	-0.6	108.5
401	S	59.3	Low	81.5	Confident	61 Å²	61	67 Å²	67	43%	0.427	36%	0.363	S	S	.	.			trans	-90.8	133.5	166.6	60.9	0	0	0	0	109.4	S403 D408	S401-S403 WeakPolarHBondContact CB-O 3.42Å; S401-S403 PolarHBondContact O-N 2.59Å; S401-S403 PolarHBondContact OG-O 2.95Å; S401-D408 WeakPolarHBondContact OG-CB 3.21Å
402	D	59.9	Low	81.5	Confident	181 Å²	181	67 Å²	67	97%	0.968	36%	0.364	S	S	*	.	S	Bend	trans	-72.5	-4.3	172.3	-63.8	-37.6	0	0	0	112.4
403	S	60	Low	81.4	Confident	72 Å²	72	68 Å²	68	50%	0.503	37%	0.368	S	S	.	.	S	Bend	trans	-111.3	127.1	175.6	167.7	0	0	0	0	109.2	S401 G405	S401-S403 WeakPolarHBondContact CB-O 3.42Å; S401-S403 PolarHBondContact O-N 2.59Å; S401-S403 PolarHBondContact OG-O 2.95Å; S403-G405 VanDerWaalsContact C-N 3.33Å; S403-G405 PolarHBondContact O-N 3.23Å
404	E	72.6	Confident	81.4	Confident	175 Å²	175	65.7 Å²	65.7	82%	0.818	35%	0.354	S	S	*	.			trans	-93.9	59.2	174.2	-66.1	-171.6	155.3	0	0	110.4	F409	E404-F409 HydrophobicContact CB-CZ 4.49Å
405	G	81.1	Confident	81.3	Confident	13 Å²	13	66.9 Å²	66.9	13%	0.134	36%	0.358	C	S	.	.			trans	-80.1	160.4	177	0	0	0	0	0	112.2	S403 Y407 D408 F409	S403-G405 VanDerWaalsContact C-N 3.33Å; S403-G405 PolarHBondContact O-N 3.23Å; G405-Y407 PolarHBondContact O-N 3.47Å; G405-D408 VanDerWaalsContact CA-OD2 3.25Å; G405-D408 WeakPolarHBondContact CA-OD2 3.4Å; G405-D408 PolarHBondContact N-OD2 3.49Å; G405-D408 WeakPolarHBondContact O-CB 3.46Å; G405-D408 PolarHBondContact O-N 2.93Å; G405-F409 WeakPolarHBondContact O-CD2 3.5Å; G405-F409 WeakPolarHBondContact O-CE2 3.27Å
406	P	85.9	Confident	80.4	Confident	37 Å²	37	66.5 Å²	66.5	24%	0.24	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-7.8	178.2	30.7	-39.8	0	0	0	114.5	P441 G442 Y445	P406-P441 WeakPolarHBondContact O-CD 3.31Å; P406-G442 PolarHBondContact O-N 3.43Å; P406-Y445 HydrophobicContact CB-CE2 3.57Å; P406-Y445 HydrophobicContact CG-CD2 4.34Å; P406-Y445 HydrophobicContact CG-CE2 3.6Å
407	Y	89.9	Confident	78.9	Confident	97 Å²	97	65.9 Å²	65.9	38%	0.38	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-8.2	173	-64.7	-80.4	0	0	0	112.7	G405 K434 H440 G442 D443	G405-Y407 PolarHBondContact O-N 3.47Å; Y407-K434 VanDerWaalsContact C-NZ 3.27Å; Y407-K434 PolarHBondContact O-NZ 3.05Å; Y407-H440 HydrophobicContact CD1-CB 3.64Å; Y407-H440 AromaticContact CD1-CG 3.92Å; Y407-H440 HydrophobicContact CE1-CB 4.16Å; Y407-H440 PolarHBondContact O-CD2 2.99Å; Y407-G442 VanDerWaalsContact OH-C 3.26Å; Y407-G442 PolarHBondContact OH-O 3.44Å; Y407-D443 WeakPolarHBondContact CE1-OD1 3.44Å
408	D	88.1	Confident	77.3	Confident	37 Å²	37	72.9 Å²	72.9	20%	0.198	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-11.7	-172.8	-58.6	-43	0	0	0	112.2	P397 S401 G405 G410 K434	P397-D408 VanDerWaalsContact CB-O 3.29Å; P397-D408 WeakPolarHBondContact CB-O 3.19Å; P397-D408 WeakPolarHBondContact CG-O 3.34Å; S401-D408 WeakPolarHBondContact OG-CB 3.21Å; G405-D408 VanDerWaalsContact CA-OD2 3.25Å; G405-D408 WeakPolarHBondContact CA-OD2 3.4Å; G405-D408 PolarHBondContact N-OD2 3.49Å; G405-D408 WeakPolarHBondContact O-CB 3.46Å; G405-D408 PolarHBondContact O-N 2.93Å; D408-G410 PolarHBondContact O-N 3.3Å; D408-K434 IonicContact OD1-NZ 2.67Å; D408-K434 PolarHBondContact OD1-NZ 3.16Å
409	F	88.6	Confident	76	Confident	61 Å²	61	75.5 Å²	75.5	27%	0.268	39%	0.387	S	S	.	.	S	Bend	trans	-79.6	1	172.3	-56.9	-67.2	0	0	0	113.9	E404 G405 N460 A463	E404-F409 HydrophobicContact CB-CZ 4.49Å; G405-F409 WeakPolarHBondContact O-CD2 3.5Å; G405-F409 WeakPolarHBondContact O-CE2 3.27Å; F409-N460 PolarHBondContact O-ND2 3.44Å; F409-A463 HydrophobicContact CB-CB 3.93Å; F409-A463 WeakPolarHBondContact O-CB 3.38Å
410	G	91.8	Very high	75.1	Confident	4 Å²	4	76.2 Å²	76.2	4%	0.041	38%	0.375	C	S	.	.			trans	70.7	-147.8	-168.2	0	0	0	0	0	111	V395 D408 H440 P441	V395-G410 CarbonylContact O-C 3.03Å; V395-G410 WeakPolarHBondContact O-CA 3.29Å; D408-G410 PolarHBondContact O-N 3.3Å; G410-H440 PolarHBondContact O-CD2 3.11Å; G410-P441 VanDerWaalsContact O-CD 3.3Å; G410-P441 WeakPolarHBondContact O-CD 3.46Å
411	G	94.4	Very high	74.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-146.8	-177.5	0	0	0	0	0	113.1	V395 C438 L439	V395-G411 PolarHBondContact N-O 2.74Å; V395-G411 PolarHBondContact O-N 3.4Å; G411-C438 VanDerWaalsContact CA-SG 3.55Å; G411-L439 CarbonylContact C-O 3.27Å; G411-L439 VanDerWaalsContact CA-O 3.28Å; G411-L439 WeakPolarHBondContact CA-O 3.47Å
412	V	95.5	Very high	73.4	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	-175.1	173.5	0	0	0	0	110.4	L390 A392 T414 L439 V456 Y464	L390-V412 HydrophobicContact CB-CG1 4.42Å; A392-V412 HydrophobicContact CB-CG1 3.43Å; A392-V412 VanDerWaalsContact CB-CG1 3.43Å; V412-T414 PolarHBondContact O-N 3.07Å; V412-L439 PolarHBondContact N-O 2.67Å; V412-L439 PolarHBondContact O-N 2.84Å; V412-V456 HydrophobicContact CG2-CG1 3.75Å; V412-Y464 HydrophobicContact CB-CE2 4.46Å; V412-Y464 HydrophobicContact CG2-CE2 3.67Å
413	L	94.6	Very high	72.5	Confident	20 Å²	20	67.6 Å²	67.6	11%	0.105	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.8	-176.6	-164.6	72.4	0	0	0	111.3	N306 A392 T393 V395 N415 S416 E435 H437	N306-L413 PolarHBondContact ND2-O 2.92Å; A392-L413 VanDerWaalsContact CB-O 3.31Å; A392-L413 WeakPolarHBondContact CB-O 3.43Å; T393-L413 WeakPolarHBondContact O-CB 3.48Å; T393-L413 PolarHBondContact O-N 3.28Å; V395-L413 HydrophobicContact CG2-CB 4Å; V395-L413 HydrophobicContact CG2-CD1 3.92Å; L413-N415 WeakPolarHBondContact CD1-O 3.43Å; L413-N415 WeakPolarHBondContact CG-O 3.26Å; L413-S416 WeakPolarHBondContact CD2-OG 3.45Å; L413-E435 HydrophobicContact CD1-CG 3.85Å; L413-H437 CarbonylContact C-O 3.52Å
414	T	92.6	Very high	71.4	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	37%	0.371	C	S	.	.	S	Bend	trans	-86.7	-39.1	178.2	58.5	0	0	0	0	112.1	N306 K363 P364 F366 L369 V412 H437 L439	N306-T414 PolarHBondContact ND2-O 2.95Å; K363-T414 CarbonylContact C-O 3.6Å; K363-T414 VanDerWaalsContact C-O 3.3Å; K363-T414 WeakPolarHBondContact CA-O 3.29Å; P364-T414 WeakPolarHBondContact CD-O 3.41Å; P364-T414 CarbonylContact O-C 3.52Å; P364-T414 VanDerWaalsContact O-CB 3.28Å; P364-T414 WeakPolarHBondContact O-CB 3.38Å; F366-T414 PolarHBondContact N-OG1 3.14Å; L369-T414 HydrophobicContact CD2-CG2 3.61Å; V412-T414 PolarHBondContact O-N 3.07Å; T414-H437 PolarHBondContact N-O 3.03Å; T414-H437 VanDerWaalsContact OG1-C 3.28Å; T414-H437 PolarHBondContact OG1-O 2.85Å; T414-L439 HydrophobicContact CG2-CB 3.74Å
415	N	91.2	Very high	69.9	Low	34 Å²	34	65.7 Å²	65.7	18%	0.182	36%	0.355	C	S	.	.			trans	-144.5	146	177.5	-159.3	-22.4	0	0	0	110.8	N306 K363 P364 T365 L413 H437	N306-N415 PolarHBondContact ND2-N 3.32Å; K363-N415 VanDerWaalsContact O-CG 3.29Å; K363-N415 PolarHBondContact O-ND2 3.33Å; K363-N415 VanDerWaalsContact O-ND2 3.08Å; P364-N415 WeakPolarHBondContact O-CB 3.43Å; T365-N415 WeakPolarHBondContact CG2-ND2 3.42Å; L413-N415 WeakPolarHBondContact CD1-O 3.43Å; L413-N415 WeakPolarHBondContact CG-O 3.26Å; N415-H437 HydrophobicContact CB-CB 4.18Å; N415-H437 WeakPolarHBondContact O-CB 3.37Å
416	S	74.1	Confident	68.3	Low	23 Å²	23	69.6 Å²	69.6	16%	0.161	37%	0.372	C	S	.	.			trans	-112	114.7	177.3	-47.3	0	0	0	0	108.5	N306 L413 R418	N306-S416 PolarHBondContact OD1-OG 3.22Å; L413-S416 WeakPolarHBondContact CD2-OG 3.45Å; S416-R418 PolarHBondContact O-N 3Å
417	N	58.4	Low	66.4	Low	102 Å²	102	75.9 Å²	75.9	55%	0.545	40%	0.397	S	S	.	.			trans	-63	130	165.7	-96.7	-33.4	0	0	0	108.4	D419 I420	N417-D419 PolarHBondContact O-N 2.66Å; N417-I420 WeakPolarHBondContact O-CG1 3.44Å; N417-I420 PolarHBondContact O-N 2.9Å
418	R	51.7	Low	64.1	Low	216 Å²	216	80.5 Å²	80.5	82%	0.815	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-54.9	-14	179.8	-90.6	-176.5	158.1	176.3	-5.9	113.8	S416 I420 I421	S416-R418 PolarHBondContact O-N 3Å; R418-I420 PolarHBondContact O-N 2.81Å; R418-I421 HydrophobicContact CB-CD1 4.07Å; R418-I421 HydrophobicContact CG-CD1 4.1Å; R418-I421 WeakPolarHBondContact O-CD1 3.49Å; R418-I421 WeakPolarHBondContact O-CG1 3.42Å; R418-I421 PolarHBondContact O-N 2.75Å
419	D	43.3	Very low	62.3	Low	132 Å²	132	88.2 Å²	88.2	71%	0.706	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-71.9	-4.7	177.8	-60.7	-26.6	0	0	0	114.2	N417 I421	N417-D419 PolarHBondContact O-N 2.66Å; D419-I421 VanDerWaalsContact C-N 3.35Å
420	I	47.3	Very low	60.3	Low	82 Å²	82	93.2 Å²	93.2	42%	0.421	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-98.1	25.9	176.6	-39.9	172.1	0	0	0	110.9	N417 R418 I426	N417-I420 WeakPolarHBondContact O-CG1 3.44Å; N417-I420 PolarHBondContact O-N 2.9Å; R418-I420 PolarHBondContact O-N 2.81Å; I420-I426 HydrophobicContact CG2-CG1 4.21Å
421	I	43.5	Very low	58.7	Low	124 Å²	124	98.2 Å²	98.2	64%	0.636	50%	0.498	S	S	*	.			trans	-77.8	-19.4	-178.8	-74.3	167.8	0	0	0	112.8	R418 D419	R418-I421 HydrophobicContact CB-CD1 4.07Å; R418-I421 HydrophobicContact CG-CD1 4.1Å; R418-I421 WeakPolarHBondContact O-CD1 3.49Å; R418-I421 WeakPolarHBondContact O-CG1 3.42Å; R418-I421 PolarHBondContact O-N 2.75Å; D419-I421 VanDerWaalsContact C-N 3.35Å
422	N	36	Very low	57.2	Low	123 Å²	123	102.6 Å²	102.6	66%	0.658	53%	0.528	S	S	*	.	S	Bend	trans	-100.2	103.8	173.8	-69	-10.6	0	0	0	108.9	D424 A425	N422-D424 PolarHBondContact O-N 3.15Å; N422-A425 PolarHBondContact O-N 3.21Å
423	G	42.5	Very low	56.3	Low	65 Å²	65	110 Å²	110	67%	0.67	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	0.9	-179.4	0	0	0	0	0	116.8
424	D	36.4	Very low	55.7	Low	150 Å²	150	113.8 Å²	113.8	80%	0.802	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-9.9	175.1	-73.6	-30.8	0	0	0	114.5	N422	N422-D424 PolarHBondContact O-N 3.15Å
425	A	39.9	Very low	55.5	Low	57 Å²	57	117.6 Å²	117.6	47%	0.471	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-92.8	-3.2	-173.2	0	0	0	0	0	115.2	N422 H427	N422-A425 PolarHBondContact O-N 3.21Å; A425-H427 PolarHBondContact O-N 2.6Å
426	I	48.2	Very low	55.4	Low	96 Å²	96	122.4 Å²	122.4	49%	0.492	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-66.6	-20.3	179.7	-65.1	174.9	0	0	0	111.6	I420	I420-I426 HydrophobicContact CG2-CG1 4.21Å
427	H	45.8	Very low	56.2	Low	169 Å²	169	122.4 Å²	122.4	78%	0.782	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-95.8	4.2	-175.6	-70.4	-55.7	0	0	0	116.1	A425	A425-H427 PolarHBondContact O-N 2.6Å
428	K	42.1	Very low	57.9	Low	194 Å²	194	117.7 Å²	117.7	84%	0.843	59%	0.591	S	S	*	*	S	Bend	trans	-133.5	18.3	-172.3	-73.6	-168.9	-178.5	177.4	0	117.3
429	R	49.7	Very low	60	Low	199 Å²	199	107.4 Å²	107.4	75%	0.751	55%	0.552	S	S	*	*	S	Bend	trans	-99	128.9	158.3	-78.6	-174.1	-179	177.6	2.6	108.2	Q431	R429-Q431 VanDerWaalsContact C-N 3.33Å; R429-Q431 PolarHBondContact O-N 3.22Å
430	N	47	Very low	62.5	Low	166 Å²	166	101.8 Å²	101.8	89%	0.888	52%	0.522	S	S	*	.			trans	-53.1	96.3	170.1	-80.1	-25	0	0	0	108.9	S432	N430-S432 PolarHBondContact O-N 3.48Å
431	Q	58.6	Low	64.8	Low	109 Å²	109	97.9 Å²	97.9	51%	0.509	50%	0.502	S	S	.	.			trans	-79	64.9	-177.7	-78.3	176.3	-3.8	0	0	110.3	R429	R429-Q431 VanDerWaalsContact C-N 3.33Å; R429-Q431 PolarHBondContact O-N 3.22Å
432	S	63.6	Low	67.3	Low	92 Å²	92	92 Å²	92	64%	0.643	47%	0.472	S	S	*	.			trans	-74.6	-14.3	167.8	57.2	0	0	0	0	112.5	N430	N430-S432 PolarHBondContact O-N 3.48Å
433	H	75.8	Confident	70.2	Confident	157 Å²	157	87.2 Å²	87.2	73%	0.727	45%	0.446	S	S	*	.	S	Bend	trans	-127.9	145.4	-174.7	-56.9	-55.1	0	0	0	111.6
434	K	82.7	Confident	72.8	Confident	99 Å²	99	84.1 Å²	84.1	43%	0.43	41%	0.414	S	S	.	.			trans	-67.2	153.7	173	-62.7	-176.1	179.6	-176.8	0	110.4	Y407 D408 M436	Y407-K434 VanDerWaalsContact C-NZ 3.27Å; Y407-K434 PolarHBondContact O-NZ 3.05Å; D408-K434 IonicContact OD1-NZ 2.67Å; D408-K434 PolarHBondContact OD1-NZ 3.16Å; K434-M436 PolarHBondContact O-N 3.1Å
435	E	87.1	Confident	75.7	Confident	80 Å²	80	78.4 Å²	78.4	37%	0.374	38%	0.382	S	S	.	.			trans	-59.3	124	180	177	50.3	-110.7	0	0	111.4	V395 L413 H437 C438	V395-E435 HydrophobicContact CG1-CB 4.16Å; L413-E435 HydrophobicContact CD1-CG 3.85Å; E435-H437 VanDerWaalsContact C-N 3.31Å; E435-H437 PolarHBondContact O-N 3.46Å; E435-H437 PolarHBondContact OE1-N 3.06Å; E435-C438 HydrophobicContact CB-CB 3.89Å; E435-C438 HydrophobicContact CG-CB 3.97Å; E435-C438 WeakPolarHBondContact O-CB 3.37Å; E435-C438 PolarHBondContact O-N 2.86Å
436	M	88.8	Confident	78.4	Confident	135 Å²	135	78 Å²	78	67%	0.665	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.5	-176	-178.5	177.4	76.7	0	0	112	K434 C438	K434-M436 PolarHBondContact O-N 3.1Å; M436-C438 VanDerWaalsContact C-N 3.3Å; M436-C438 PolarHBondContact O-N 2.79Å
437	H	92.5	Very high	80.7	Confident	23 Å²	23	73.8 Å²	73.8	11%	0.106	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	33.6	178.7	-66.9	-42.4	0	0	0	112.6	L413 T414 N415 E435	L413-H437 CarbonylContact C-O 3.52Å; T414-H437 PolarHBondContact N-O 3.03Å; T414-H437 VanDerWaalsContact OG1-C 3.28Å; T414-H437 PolarHBondContact OG1-O 2.85Å; N415-H437 HydrophobicContact CB-CB 4.18Å; N415-H437 WeakPolarHBondContact O-CB 3.37Å; E435-H437 VanDerWaalsContact C-N 3.31Å; E435-H437 PolarHBondContact O-N 3.46Å; E435-H437 PolarHBondContact OE1-N 3.06Å
438	C	93.7	Very high	83.1	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.02	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.1	173.6	179.3	0	0	0	0	110.7	V395 G411 E435 M436 H440	V395-C438 HydrophobicContact CB-CB 4.35Å; V395-C438 HydrophobicContact CG1-CB 4.36Å; V395-C438 HydrophobicContact CG2-CB 4.08Å; G411-C438 VanDerWaalsContact CA-SG 3.55Å; E435-C438 HydrophobicContact CB-CB 3.89Å; E435-C438 HydrophobicContact CG-CB 3.97Å; E435-C438 WeakPolarHBondContact O-CB 3.37Å; E435-C438 PolarHBondContact O-N 2.86Å; M436-C438 VanDerWaalsContact C-N 3.3Å; M436-C438 PolarHBondContact O-N 2.79Å; C438-H440 PolarHBondContact O-ND1 2.85Å; C438-H440 VanDerWaalsContact O-ND1 3.16Å; C438-H440 PolarHBondContact SG-CE1 2.82Å
439	L	96.6	Very high	85.7	Confident	1 Å²	1	63 Å²	63	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.8	166.3	-177.5	73.2	0	0	0	107.7	F366 L369 L390 G411 V412 T414 D443 L444 Y464	F366-L439 HydrophobicContact CE2-CD1 4.16Å; L369-L439 HydrophobicContact CD2-CD1 4.33Å; L369-L439 HydrophobicContact CD2-CD2 4.05Å; L390-L439 HydrophobicContact CD1-CD2 3.68Å; L390-L439 HydrophobicContact CD2-CD2 3.97Å; L390-L439 HydrophobicContact CG-CD2 4.5Å; G411-L439 CarbonylContact C-O 3.27Å; G411-L439 VanDerWaalsContact CA-O 3.28Å; G411-L439 WeakPolarHBondContact CA-O 3.47Å; V412-L439 PolarHBondContact N-O 2.67Å; V412-L439 PolarHBondContact O-N 2.84Å; T414-L439 HydrophobicContact CG2-CB 3.74Å; L439-D443 HydrophobicContact CD1-CB 3.82Å; L439-L444 HydrophobicContact CD1-CD2 4.16Å; L439-L444 HydrophobicContact CD2-CD2 4.36Å; L439-Y464 PolarHBondContact O-OH 3.42Å
440	H	95.8	Very high	87.9	Confident	13 Å²	13	56 Å²	56	6%	0.06	28%	0.276	C	S	.	.			trans	-93.9	157.9	174.3	-61.9	76.3	0	0	0	110	Y407 G410 C438 G442 D443	Y407-H440 HydrophobicContact CD1-CB 3.64Å; Y407-H440 AromaticContact CD1-CG 3.92Å; Y407-H440 HydrophobicContact CE1-CB 4.16Å; Y407-H440 PolarHBondContact O-CD2 2.99Å; G410-H440 PolarHBondContact O-CD2 3.11Å; C438-H440 PolarHBondContact O-ND1 2.85Å; C438-H440 VanDerWaalsContact O-ND1 3.16Å; C438-H440 PolarHBondContact SG-CE1 2.82Å; H440-G442 PolarHBondContact O-N 3.27Å; H440-D443 WeakPolarHBondContact CB-OD2 3.47Å; H440-D443 IonicContact CG-OD2 2.73Å; H440-D443 PolarHBondContact N-OD2 2.84Å; H440-D443 IonicContact ND1-OD2 3.08Å; H440-D443 WeakPolarHBondContact O-CB 3.38Å; H440-D443 PolarHBondContact O-N 3.11Å
441	P	95.5	Very high	90.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-52.3	-36.4	170.1	-24.1	30.5	0	0	0	112.5	P406 G410 D443 L444 A463 Y464 F467	P406-P441 WeakPolarHBondContact O-CD 3.31Å; G410-P441 VanDerWaalsContact O-CD 3.3Å; G410-P441 WeakPolarHBondContact O-CD 3.46Å; P441-D443 VanDerWaalsContact C-N 3.26Å; P441-D443 PolarHBondContact O-N 3.17Å; P441-L444 PolarHBondContact O-N 2.72Å; P441-L444 VanDerWaalsContact O-N 3.09Å; P441-A463 HydrophobicContact CG-CB 4.19Å; P441-A463 WeakPolarHBondContact CG-O 3.48Å; P441-Y464 HydrophobicContact CB-CD1 4.26Å; P441-Y464 HydrophobicContact CB-CE1 4.45Å; P441-Y464 HydrophobicContact CG-CD1 4.12Å; P441-Y464 HydrophobicContact CG-CD2 4.35Å; P441-Y464 HydrophobicContact CG-CE1 4.24Å; P441-Y464 HydrophobicContact CG-CE2 4.44Å; P441-Y464 HydrophobicContact CG-CG 4.19Å; P441-F467 HydrophobicContact CB-CE1 4.35Å; P441-F467 HydrophobicContact CB-CE2 4.46Å; P441-F467 HydrophobicContact CB-CZ 3.97Å
442	G	95.2	Very high	92.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.01	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-57.7	-33.3	177.4	0	0	0	0	0	114.6	P406 Y407 H440 L444 Y445	P406-G442 PolarHBondContact O-N 3.43Å; Y407-G442 VanDerWaalsContact OH-C 3.26Å; Y407-G442 PolarHBondContact OH-O 3.44Å; H440-G442 PolarHBondContact O-N 3.27Å; G442-L444 PolarHBondContact O-N 2.83Å; G442-Y445 WeakPolarHBondContact O-CD2 3.41Å; G442-Y445 PolarHBondContact O-N 3.08Å
443	D	96.9	Very high	93.8	Very high	23 Å²	23	39.1 Å²	39.1	12%	0.123	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-70.3	-15.1	-179.9	-62.9	-53.8	0	0	0	112.6	F366 Y407 L439 H440 P441 P446	F366-D443 HydrophobicContact CE2-CB 4.27Å; F366-D443 HydrophobicContact CZ-CB 4.43Å; Y407-D443 WeakPolarHBondContact CE1-OD1 3.44Å; L439-D443 HydrophobicContact CD1-CB 3.82Å; H440-D443 WeakPolarHBondContact CB-OD2 3.47Å; H440-D443 IonicContact CG-OD2 2.73Å; H440-D443 PolarHBondContact N-OD2 2.84Å; H440-D443 IonicContact ND1-OD2 3.08Å; H440-D443 WeakPolarHBondContact O-CB 3.38Å; H440-D443 PolarHBondContact O-N 3.11Å; P441-D443 VanDerWaalsContact C-N 3.26Å; P441-D443 PolarHBondContact O-N 3.17Å; D443-P446 WeakPolarHBondContact O-CD 3.1Å
444	L	97.4	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-93	-14.9	-177.5	-62.6	-176.3	0	0	0	114.1	L373 I388 L439 P441 G442 P446 F447 T448 I454 Y464 F467	L373-L444 HydrophobicContact CD1-CD2 4.11Å; I388-L444 HydrophobicContact CD1-CD1 4.47Å; I388-L444 HydrophobicContact CD1-CD2 3.95Å; L439-L444 HydrophobicContact CD1-CD2 4.16Å; L439-L444 HydrophobicContact CD2-CD2 4.36Å; P441-L444 PolarHBondContact O-N 2.72Å; P441-L444 VanDerWaalsContact O-N 3.09Å; G442-L444 PolarHBondContact O-N 2.83Å; L444-P446 VanDerWaalsContact C-CD 3.45Å; L444-P446 VanDerWaalsContact C-N 3.33Å; L444-F447 HydrophobicContact CD2-CD2 4.18Å; L444-F447 PolarHBondContact O-N 2.77Å; L444-T448 PolarHBondContact O-N 3.02Å; L444-I454 HydrophobicContact CD1-CD1 3.58Å; L444-Y464 HydrophobicContact CD1-CD1 4.26Å; L444-Y464 HydrophobicContact CD1-CE1 3.79Å; L444-F467 HydrophobicContact CB-CE1 4.29Å
445	Y	96.3	Very high	95.7	Very high	29 Å²	29	26.9 Å²	26.9	11%	0.114	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-41.2	177.7	-79.1	-63.6	0	0	0	114.4	P406 G442 F447 T448 F467 T468 L470 F471	P406-Y445 HydrophobicContact CB-CE2 3.57Å; P406-Y445 HydrophobicContact CG-CD2 4.34Å; P406-Y445 HydrophobicContact CG-CE2 3.6Å; G442-Y445 WeakPolarHBondContact O-CD2 3.41Å; G442-Y445 PolarHBondContact O-N 3.08Å; Y445-F447 PolarHBondContact O-N 3.29Å; Y445-F447 VanDerWaalsContact O-N 3.15Å; Y445-T448 PolarHBondContact O-N 3.25Å; Y445-T448 PolarHBondContact O-OG1 3.09Å; Y445-F467 AromaticContact CE1-CD1 3.95Å; Y445-F467 HydrophobicContact CE1-CD1 3.95Å; Y445-T468 WeakPolarHBondContact CE1-O 3.25Å; Y445-T468 PolarHBondContact OH-N 3.25Å; Y445-L470 HydrophobicContact CD1-CD1 3.42Å; Y445-L470 VanDerWaalsContact CD1-CD1 3.42Å; Y445-L470 HydrophobicContact CD1-CG 4.05Å; Y445-L470 HydrophobicContact CE1-CD1 3.76Å; Y445-L470 HydrophobicContact CE1-CG 4.07Å; Y445-L470 HydrophobicContact CG-CD1 3.92Å; Y445-F471 VanDerWaalsContact O-CE2 3.32Å; Y445-F471 WeakPolarHBondContact O-CE2 3.27Å
446	P	96.4	Very high	96.3	Very high	48 Å²	48	23.1 Å²	23.1	31%	0.312	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-39.2	173.6	-31	39.1	0	0	0	113.8	D443 L444 R449	D443-P446 WeakPolarHBondContact O-CD 3.1Å; L444-P446 VanDerWaalsContact C-CD 3.45Å; L444-P446 VanDerWaalsContact C-N 3.33Å; P446-R449 VanDerWaalsContact CA-NH1 3.32Å; P446-R449 PolarHBondContact O-NH1 2.87Å; P446-R449 VanDerWaalsContact O-NH1 3.15Å
447	F	97	Very high	96.7	Very high	9 Å²	9	17.1 Å²	17.1	4%	0.039	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-87.1	-16.9	-174.1	-52.1	-66.4	0	0	0	113.8	Y370 L373 A374 F377 L444 Y445 R449 K450 L452	Y370-F447 HydrophobicContact CD1-CZ 4.44Å; Y370-F447 HydrophobicContact CD2-CE2 4.15Å; Y370-F447 HydrophobicContact CD2-CZ 4.3Å; Y370-F447 HydrophobicContact CE1-CZ 4.05Å; Y370-F447 AromaticContact CE2-CE2 3.64Å; Y370-F447 HydrophobicContact CE2-CE2 3.64Å; Y370-F447 AromaticContact CE2-CZ 3.89Å; Y370-F447 HydrophobicContact CE2-CZ 3.89Å; Y370-F447 AromaticContact CZ-CE2 3.91Å; Y370-F447 AromaticContact CZ-CZ 3.75Å; L373-F447 HydrophobicContact CB-CD1 4.39Å; L373-F447 HydrophobicContact CB-CD2 4.42Å; L373-F447 HydrophobicContact CB-CE1 3.87Å; L373-F447 HydrophobicContact CB-CE2 3.91Å; L373-F447 HydrophobicContact CB-CZ 3.6Å; L373-F447 HydrophobicContact CD1-CD2 4.37Å; L373-F447 HydrophobicContact CD1-CE2 3.98Å; L373-F447 HydrophobicContact CD1-CZ 4.48Å; A374-F447 HydrophobicContact CB-CE1 4.39Å; F377-F447 HydrophobicContact CB-CD1 3.76Å; F377-F447 HydrophobicContact CB-CE1 4.2Å; F377-F447 HydrophobicContact CD2-CB 4.3Å; F377-F447 AromaticContact CD2-CD1 3.99Å; F377-F447 HydrophobicContact CD2-CD1 3.99Å; F377-F447 AromaticContact CG-CD1 3.9Å; F377-F447 HydrophobicContact CG-CD1 3.9Å; L444-F447 HydrophobicContact CD2-CD2 4.18Å; L444-F447 PolarHBondContact O-N 2.77Å; Y445-F447 PolarHBondContact O-N 3.29Å; Y445-F447 VanDerWaalsContact O-N 3.15Å; F447-R449 PolarHBondContact O-N 2.71Å; F447-K450 PolarHBondContact O-N 2.79Å; F447-L452 HydrophobicContact CB-CD2 4.41Å
448	T	96.7	Very high	96.8	Very high	12 Å²	12	16.4 Å²	16.4	7%	0.074	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-67.5	7	171.7	63.6	0	0	0	0	114.4	L444 Y445 K450 L452 F471 Q473 L475	L444-T448 PolarHBondContact O-N 3.02Å; Y445-T448 PolarHBondContact O-N 3.25Å; Y445-T448 PolarHBondContact O-OG1 3.09Å; T448-K450 VanDerWaalsContact C-N 3.25Å; T448-L452 HydrophobicContact CG2-CD2 4.07Å; T448-F471 VanDerWaalsContact OG1-CD2 3.27Å; T448-F471 WeakPolarHBondContact OG1-CD2 3.38Å; T448-Q473 WeakPolarHBondContact O-CB 3.35Å; T448-L475 HydrophobicContact CG2-CD2 4.03Å
449	R	95.9	Very high	96.8	Very high	123 Å²	123	18.4 Å²	18.4	46%	0.464	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-78.2	-6.2	169.1	-75.2	173.4	176.5	69.7	0.3	113.7	F377 P446 F447 F471 Q473	F377-R449 HydrophobicContact CE2-CB 3.9Å; F377-R449 HydrophobicContact CZ-CB 3.71Å; P446-R449 VanDerWaalsContact CA-NH1 3.32Å; P446-R449 PolarHBondContact O-NH1 2.87Å; P446-R449 VanDerWaalsContact O-NH1 3.15Å; F447-R449 PolarHBondContact O-N 2.71Å; R449-F471 HydrophobicContact CG-CB 4.33Å; R449-F471 HydrophobicContact CG-CD1 3.75Å; R449-F471 HydrophobicContact CG-CD2 3.8Å; R449-F471 HydrophobicContact CG-CE1 4.03Å; R449-F471 HydrophobicContact CG-CE2 4.07Å; R449-F471 HydrophobicContact CG-CG 3.65Å; R449-F471 HydrophobicContact CG-CZ 4.21Å; R449-F471 VanDerWaalsContact NH2-CE1 3.33Å; R449-Q473 WeakPolarHBondContact O-CG 3.26Å
450	K	96.3	Very high	96.8	Very high	53 Å²	53	18.9 Å²	18.9	23%	0.23	9%	0.094	C	C	.	.	S	Bend	trans	-132.6	161.3	172.5	-73.3	177.9	176.6	-102.6	0	108.5	F377 L380 F447 T448 L452	F377-K450 HydrophobicContact CD2-CB 4.28Å; F377-K450 HydrophobicContact CD2-CD 3.79Å; F377-K450 HydrophobicContact CD2-CG 4.17Å; F377-K450 HydrophobicContact CE2-CB 3.85Å; F377-K450 HydrophobicContact CE2-CD 3.6Å; F377-K450 HydrophobicContact CE2-CG 3.56Å; F377-K450 HydrophobicContact CG-CD 4.37Å; F377-K450 HydrophobicContact CZ-CD 4.03Å; F377-K450 HydrophobicContact CZ-CG 4.04Å; F377-K450 VanDerWaalsContact O-CE 3.23Å; F377-K450 WeakPolarHBondContact O-CE 3.29Å; L380-K450 HydrophobicContact CB-CD 4.06Å; L380-K450 HydrophobicContact CD2-CB 4.15Å; L380-K450 HydrophobicContact CD2-CD 3.9Å; L380-K450 PolarHBondContact O-NZ 3.28Å; F447-K450 PolarHBondContact O-N 2.79Å; T448-K450 VanDerWaalsContact C-N 3.25Å; K450-L452 PolarHBondContact O-N 3.13Å
451	P	97.3	Very high	96.9	Very high	11 Å²	11	18.2 Å²	18.2	7%	0.071	9%	0.091	C	C	.	.			trans	-53	121.3	174.7	-28.3	37.6	0	0	0	111.8	L296 V385 L386 P474 F554	L296-P451 HydrophobicContact CD1-CB 3.87Å; L296-P451 HydrophobicContact CD1-CG 4.15Å; L296-P451 HydrophobicContact CD2-CB 4.22Å; L296-P451 HydrophobicContact CD2-CG 3.76Å; V385-P451 HydrophobicContact CG2-CB 4.18Å; L386-P451 PolarHBondContact N-O 3.07Å; P451-P474 WeakPolarHBondContact CA-O 3.42Å; P451-P474 HydrophobicContact CB-CG 3.93Å; P451-P474 HydrophobicContact CG-CG 4.05Å; P451-F554 HydrophobicContact CB-CE1 3.94Å; P451-F554 HydrophobicContact CB-CZ 4.3Å
452	L	98.2	Very high	96.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.3	-173.6	-177.1	61.6	0	0	0	110.5	L386 I388 F447 T448 K450 I454 P474 L475 V476 F554	L386-L452 HydrophobicContact CB-CD1 4.1Å; L386-L452 HydrophobicContact CD2-CD1 4.22Å; L386-L452 HydrophobicContact CG-CD1 4.17Å; L386-L452 WeakPolarHBondContact O-CD1 3.28Å; I388-L452 HydrophobicContact CD1-CD1 3.78Å; I388-L452 HydrophobicContact CG1-CD1 4Å; F447-L452 HydrophobicContact CB-CD2 4.41Å; T448-L452 HydrophobicContact CG2-CD2 4.07Å; K450-L452 PolarHBondContact O-N 3.13Å; L452-I454 HydrophobicContact CD1-CG1 4.41Å; L452-I454 HydrophobicContact CD2-CD1 3.88Å; L452-I454 HydrophobicContact CD2-CG1 4.2Å; L452-I454 HydrophobicContact CG-CD1 4.12Å; L452-I454 HydrophobicContact CG-CG1 3.87Å; L452-P474 PolarHBondContact N-O 3.44Å; L452-P474 VanDerWaalsContact N-O 3.1Å; L452-L475 HydrophobicContact CB-CD1 3.99Å; L452-L475 HydrophobicContact CD2-CD1 4.07Å; L452-L475 HydrophobicContact CG-CD1 3.98Å; L452-L475 WeakPolarHBondContact O-CA 3.12Å; L452-L475 WeakPolarHBondContact O-CD1 3.4Å; L452-V476 PolarHBondContact O-N 2.77Å; L452-F554 VanDerWaalsContact O-CZ 3.31Å; L452-F554 WeakPolarHBondContact O-CZ 3.25Å
453	F	98.6	Very high	96.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.3	176.2	-160.2	-79.9	0	0	0	109.2	V385 L386 L387 I388 I455 V476 L478 F554 L560 L564	V385-F453 HydrophobicContact CG1-CB 3.85Å; L386-F453 PolarHBondContact O-N 3.36Å; L387-F453 CarbonylContact C-O 3.54Å; L387-F453 VanDerWaalsContact CA-O 3.22Å; L387-F453 WeakPolarHBondContact CA-O 3.36Å; L387-F453 HydrophobicContact CD1-CD1 4.05Å; L387-F453 HydrophobicContact CG-CD1 4.44Å; I388-F453 PolarHBondContact N-O 3.48Å; F453-I455 HydrophobicContact CD1-CG1 4.16Å; F453-I455 HydrophobicContact CE1-CD1 4.21Å; F453-I455 HydrophobicContact CE1-CG1 3.94Å; F453-V476 CarbonylContact C-O 3.52Å; F453-V476 WeakPolarHBondContact CA-O 3.49Å; F453-V476 HydrophobicContact CD2-CB 3.9Å; F453-V476 HydrophobicContact CD2-CG1 4.11Å; F453-V476 HydrophobicContact CE2-CB 3.83Å; F453-V476 HydrophobicContact CE2-CG1 3.57Å; F453-V476 HydrophobicContact CZ-CG1 3.87Å; F453-L478 HydrophobicContact CE1-CD1 3.72Å; F453-L478 HydrophobicContact CE1-CG 3.88Å; F453-L478 HydrophobicContact CZ-CD1 3.77Å; F453-L478 HydrophobicContact CZ-CD2 4.4Å; F453-L478 HydrophobicContact CZ-CG 3.92Å; F453-F554 HydrophobicContact CB-CE1 4.4Å; F453-F554 HydrophobicContact CD2-CB 4.07Å; F453-F554 HydrophobicContact CD2-CD1 4.03Å; F453-F554 AromaticContact CD2-CD2 3.8Å; F453-F554 HydrophobicContact CD2-CD2 3.8Å; F453-F554 HydrophobicContact CD2-CE1 4.42Å; F453-F554 HydrophobicContact CD2-CE2 4.21Å; F453-F554 AromaticContact CD2-CG 3.7Å; F453-F554 HydrophobicContact CD2-CG 3.7Å; F453-F554 HydrophobicContact CE2-CB 4.16Å; F453-F554 HydrophobicContact CE2-CD2 4.26Å; F453-F554 HydrophobicContact CE2-CG 4.22Å; F453-L560 HydrophobicContact CB-CD2 4.29Å; F453-L560 HydrophobicContact CD1-CD2 4.09Å; F453-L560 HydrophobicContact CD2-CD1 4.36Å; F453-L560 HydrophobicContact CD2-CD2 4.08Å; F453-L560 HydrophobicContact CE1-CD2 4.44Å; F453-L560 HydrophobicContact CE2-CD2 4.42Å; F453-L560 HydrophobicContact CG-CD2 3.89Å; F453-L564 HydrophobicContact CE2-CD1 4.38Å; F453-L564 HydrophobicContact CE2-CD2 4.13Å; F453-L564 HydrophobicContact CE2-CG 4.24Å; F453-L564 HydrophobicContact CZ-CD2 3.9Å; F453-L564 HydrophobicContact CZ-CG 4.09Å
454	I	98.8	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.4	-173.2	-49.6	178.1	0	0	0	109.1	I388 L444 L452 V456 F467 L475 V476 C477 L478	I388-I454 HydrophobicContact CB-CG2 4.5Å; I388-I454 CarbonylContact O-C 3.59Å; I388-I454 WeakPolarHBondContact O-CA 3.41Å; L444-I454 HydrophobicContact CD1-CD1 3.58Å; L452-I454 HydrophobicContact CD1-CG1 4.41Å; L452-I454 HydrophobicContact CD2-CD1 3.88Å; L452-I454 HydrophobicContact CD2-CG1 4.2Å; L452-I454 HydrophobicContact CG-CD1 4.12Å; L452-I454 HydrophobicContact CG-CG1 3.87Å; I454-V456 HydrophobicContact CG2-CG2 3.61Å; I454-F467 HydrophobicContact CD1-CZ 4.35Å; I454-L475 HydrophobicContact CD1-CD1 3.74Å; I454-L475 HydrophobicContact CG1-CD1 4.03Å; I454-V476 PolarHBondContact N-O 2.99Å; I454-C477 HydrophobicContact CB-CB 4.36Å; I454-C477 CarbonylContact O-C 3.6Å; I454-C477 VanDerWaalsContact O-CA 3.22Å; I454-C477 WeakPolarHBondContact O-CA 3.29Å; I454-L478 PolarHBondContact O-N 2.94Å
455	I	98.9	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.5	170.7	-56.3	176.5	0	0	0	107.1	M323 L387 I388 Y389 L390 F453 L478 F498 L502 L563	M323-I455 HydrophobicContact CE-CD1 4.05Å; L387-I455 HydrophobicContact CD1-CD1 4.26Å; I388-I455 PolarHBondContact O-N 2.94Å; Y389-I455 WeakPolarHBondContact CA-O 3.18Å; Y389-I455 HydrophobicContact CD2-CB 3.85Å; Y389-I455 HydrophobicContact CD2-CG2 3.67Å; Y389-I455 HydrophobicContact CE2-CG2 4.03Å; L390-I455 PolarHBondContact N-O 3.03Å; F453-I455 HydrophobicContact CD1-CG1 4.16Å; F453-I455 HydrophobicContact CE1-CD1 4.21Å; F453-I455 HydrophobicContact CE1-CG1 3.94Å; I455-L478 CarbonylContact C-O 3.55Å; I455-L478 WeakPolarHBondContact CA-O 3.45Å; I455-L478 HydrophobicContact CG1-CB 4.28Å; I455-L478 HydrophobicContact CG1-CD1 4.3Å; I455-L478 HydrophobicContact CG1-CG 4.48Å; I455-F498 HydrophobicContact CG2-CE1 3.79Å; I455-F498 HydrophobicContact CG2-CZ 4.48Å; I455-L502 HydrophobicContact CD1-CD1 4.3Å; I455-L502 HydrophobicContact CG2-CD1 3.75Å; I455-L563 HydrophobicContact CD1-CD1 4.08Å; I455-L563 HydrophobicContact CD1-CD2 4.41Å
456	V	98.7	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	103.4	-176.8	-167.7	0	0	0	0	110.3	L390 V412 I454 S461 Y464 L478 L479 S480	L390-V456 HydrophobicContact CD1-CG2 4.37Å; V412-V456 HydrophobicContact CG2-CG1 3.75Å; I454-V456 HydrophobicContact CG2-CG2 3.61Å; V456-S461 WeakPolarHBondContact O-CB 3.3Å; V456-Y464 HydrophobicContact CG1-CD2 4.03Å; V456-Y464 HydrophobicContact CG1-CE2 4.15Å; V456-Y464 HydrophobicContact CG2-CD1 4.26Å; V456-Y464 HydrophobicContact CG2-CD2 4.01Å; V456-Y464 HydrophobicContact CG2-CE2 4.47Å; V456-Y464 HydrophobicContact CG2-CG 3.89Å; V456-L478 PolarHBondContact N-O 2.71Å; V456-L479 HydrophobicContact CB-CD2 3.91Å; V456-L479 HydrophobicContact CG2-CD2 3.86Å; V456-S480 WeakPolarHBondContact O-CB 3.3Å; V456-S480 PolarHBondContact O-N 3.33Å; V456-S480 PolarHBondContact O-OG 3.45Å
457	D	97.6	Very high	96.1	Very high	10 Å²	10	24.1 Å²	24.1	5%	0.053	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	93.1	173	-157.6	-15.6	0	0	0	109.9	L390 S391 A392 S480 S496 F498 T499	L390-D457 WeakPolarHBondContact O-CA 3.25Å; L390-D457 PolarHBondContact O-N 3.21Å; S391-D457 WeakPolarHBondContact CA-O 3.45Å; A392-D457 PolarHBondContact N-O 3.15Å; D457-S480 VanDerWaalsContact CA-OG 3.26Å; D457-S480 WeakPolarHBondContact CA-OG 3.28Å; D457-S496 PolarHBondContact OD1-OG 3.23Å; D457-S496 WeakPolarHBondContact OD2-CB 3.01Å; D457-S496 PolarHBondContact OD2-OG 3.07Å; D457-F498 HydrophobicContact CB-CD1 4.22Å; D457-T499 WeakPolarHBondContact OD2-CB 3.27Å; D457-T499 PolarHBondContact OD2-N 3.32Å; D457-T499 PolarHBondContact OD2-OG1 3.21Å
458	S	95.9	Very high	95.8	Very high	7 Å²	7	28 Å²	28	5%	0.049	14%	0.143	C	C	.	.	S	Bend	trans	-163.9	148.7	-169.4	-169.4	0	0	0	0	112.8	A392 G394 N460 S461 S480	A392-S458 WeakPolarHBondContact O-CA 3.45Å; A392-S458 WeakPolarHBondContact O-CB 3.46Å; A392-S458 PolarHBondContact O-OG 2.56Å; G394-S458 VanDerWaalsContact CA-OG 3.22Å; G394-S458 WeakPolarHBondContact CA-OG 3.39Å; G394-S458 PolarHBondContact N-OG 2.9Å; G394-S458 VanDerWaalsContact N-OG 3.1Å; S458-N460 PolarHBondContact O-N 3.15Å; S458-N460 VanDerWaalsContact O-N 3.11Å; S458-N460 PolarHBondContact OG-N 2.8Å; S458-S461 WeakPolarHBondContact O-CB 3.32Å; S458-S461 PolarHBondContact O-N 3.48Å; S458-S461 PolarHBondContact O-OG 3.05Å; S458-S480 PolarHBondContact N-OG 2.94Å; S458-S480 PolarHBondContact O-OG 3.08Å
459	S	93.9	Very high	95.5	Very high	46 Å²	46	32.5 Å²	32.5	32%	0.322	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.4	170.4	59.9	0	0	0	0	114.1	G394 F396 T482	G394-S459 WeakPolarHBondContact CA-OG 3.4Å; G394-S459 PolarHBondContact N-OG 3.25Å; G394-S459 VanDerWaalsContact N-OG 3.17Å; F396-S459 WeakPolarHBondContact CZ-O 3.43Å; S459-T482 WeakPolarHBondContact O-CB 3.37Å; S459-T482 WeakPolarHBondContact O-CG2 3.32Å
460	N	95.6	Very high	95.4	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.053	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	33.3	171.9	-163.1	29.7	0	0	0	112.6	V395 F396 F409 S458 V462 A463	V395-N460 PolarHBondContact O-ND2 3.34Å; F396-N460 HydrophobicContact CD1-CB 4.08Å; F396-N460 HydrophobicContact CE1-CB 3.75Å; F396-N460 HydrophobicContact CZ-CB 4.06Å; F409-N460 PolarHBondContact O-ND2 3.44Å; S458-N460 PolarHBondContact O-N 3.15Å; S458-N460 VanDerWaalsContact O-N 3.11Å; S458-N460 PolarHBondContact OG-N 2.8Å; N460-V462 PolarHBondContact O-N 3.4Å; N460-A463 WeakPolarHBondContact O-CB 3.17Å; N460-A463 PolarHBondContact O-N 3.12Å; N460-A463 VanDerWaalsContact O-N 3.15Å
461	S	96.9	Very high	95.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-53.9	-37.6	178.6	61.7	0	0	0	0	113.1	V456 S458 A463 Y464 S480	V456-S461 WeakPolarHBondContact O-CB 3.3Å; S458-S461 WeakPolarHBondContact O-CB 3.32Å; S458-S461 PolarHBondContact O-N 3.48Å; S458-S461 PolarHBondContact O-OG 3.05Å; S461-A463 PolarHBondContact O-N 2.94Å; S461-Y464 PolarHBondContact O-N 2.61Å; S461-S480 WeakPolarHBondContact CB-OG 3.45Å; S461-S480 PolarHBondContact OG-O 3Å
462	V	95.4	Very high	95.2	Very high	42 Å²	42	34.4 Å²	34.4	26%	0.255	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-61.5	-14.6	-179.6	-65.2	0	0	0	0	114.4	N460 Y464 K465 T482	N460-V462 PolarHBondContact O-N 3.4Å; V462-Y464 PolarHBondContact O-N 2.77Å; V462-K465 HydrophobicContact CB-CD 4.45Å; V462-K465 WeakPolarHBondContact O-CB 3.38Å; V462-K465 VanDerWaalsContact O-CG 3.27Å; V462-K465 WeakPolarHBondContact O-CG 3.33Å; V462-K465 PolarHBondContact O-N 2.78Å; V462-K465 VanDerWaalsContact O-N 3.11Å; V462-T482 HydrophobicContact CB-CG2 4.25Å; V462-T482 HydrophobicContact CG1-CG2 3.62Å; V462-T482 HydrophobicContact CG2-CG2 3.81Å
463	A	95.1	Very high	95	Very high	3 Å²	3	38 Å²	38	3%	0.025	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57	-27.9	170.3	0	0	0	0	0	112.1	F409 P441 N460 S461 K465	F409-A463 HydrophobicContact CB-CB 3.93Å; F409-A463 WeakPolarHBondContact O-CB 3.38Å; P441-A463 HydrophobicContact CG-CB 4.19Å; P441-A463 WeakPolarHBondContact CG-O 3.48Å; N460-A463 WeakPolarHBondContact O-CB 3.17Å; N460-A463 PolarHBondContact O-N 3.12Å; N460-A463 VanDerWaalsContact O-N 3.15Å; S461-A463 PolarHBondContact O-N 2.94Å; A463-K465 VanDerWaalsContact C-N 3.35Å
464	Y	96.4	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-92.6	10.8	-178.5	-64.8	-100.8	0	0	0	113.4	V412 L439 P441 L444 V456 S461 V462 N466 F467	V412-Y464 HydrophobicContact CB-CE2 4.46Å; V412-Y464 HydrophobicContact CG2-CE2 3.67Å; L439-Y464 PolarHBondContact O-OH 3.42Å; P441-Y464 HydrophobicContact CB-CD1 4.26Å; P441-Y464 HydrophobicContact CB-CE1 4.45Å; P441-Y464 HydrophobicContact CG-CD1 4.12Å; P441-Y464 HydrophobicContact CG-CD2 4.35Å; P441-Y464 HydrophobicContact CG-CE1 4.24Å; P441-Y464 HydrophobicContact CG-CE2 4.44Å; P441-Y464 HydrophobicContact CG-CG 4.19Å; L444-Y464 HydrophobicContact CD1-CD1 4.26Å; L444-Y464 HydrophobicContact CD1-CE1 3.79Å; V456-Y464 HydrophobicContact CG1-CD2 4.03Å; V456-Y464 HydrophobicContact CG1-CE2 4.15Å; V456-Y464 HydrophobicContact CG2-CD1 4.26Å; V456-Y464 HydrophobicContact CG2-CD2 4.01Å; V456-Y464 HydrophobicContact CG2-CE2 4.47Å; V456-Y464 HydrophobicContact CG2-CG 3.89Å; S461-Y464 PolarHBondContact O-N 2.61Å; V462-Y464 PolarHBondContact O-N 2.77Å; Y464-N466 VanDerWaalsContact C-N 3.31Å; Y464-N466 PolarHBondContact O-N 2.89Å; Y464-F467 HydrophobicContact CD1-CE2 4.13Å; Y464-F467 HydrophobicContact CD1-CZ 4.01Å; Y464-F467 WeakPolarHBondContact O-CD2 3.45Å; Y464-F467 WeakPolarHBondContact O-CE2 3.24Å
465	K	93.4	Very high	94.8	Very high	89 Å²	89	39.5 Å²	39.5	39%	0.387	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-79.1	-13.4	-178.7	87.8	-176.3	-172.5	175.4	0	114.1	V462 A463 L479 Y590	V462-K465 HydrophobicContact CB-CD 4.45Å; V462-K465 WeakPolarHBondContact O-CB 3.38Å; V462-K465 VanDerWaalsContact O-CG 3.27Å; V462-K465 WeakPolarHBondContact O-CG 3.33Å; V462-K465 PolarHBondContact O-N 2.78Å; V462-K465 VanDerWaalsContact O-N 3.11Å; A463-K465 VanDerWaalsContact C-N 3.35Å; K465-L479 HydrophobicContact CB-CD1 3.73Å; K465-Y590 WeakPolarHBondContact O-CD2 3.16Å
466	N	88.8	Confident	94.8	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	22%	0.224	S	C	.	.			trans	-126.4	95.2	-172	-66.2	-38.9	0	0	0	110.2	Y464	Y464-N466 VanDerWaalsContact C-N 3.31Å; Y464-N466 PolarHBondContact O-N 2.89Å
467	F	93	Very high	94.8	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.066	22%	0.224	C	C	.	.			trans	-109.1	142.4	169.2	-80.2	-93.8	0	0	0	110.6	P441 L444 Y445 I454 Y464 L475 Y590	P441-F467 HydrophobicContact CB-CE1 4.35Å; P441-F467 HydrophobicContact CB-CE2 4.46Å; P441-F467 HydrophobicContact CB-CZ 3.97Å; L444-F467 HydrophobicContact CB-CE1 4.29Å; Y445-F467 AromaticContact CE1-CD1 3.95Å; Y445-F467 HydrophobicContact CE1-CD1 3.95Å; I454-F467 HydrophobicContact CD1-CZ 4.35Å; Y464-F467 HydrophobicContact CD1-CE2 4.13Å; Y464-F467 HydrophobicContact CD1-CZ 4.01Å; Y464-F467 WeakPolarHBondContact O-CD2 3.45Å; Y464-F467 WeakPolarHBondContact O-CE2 3.24Å; F467-L475 HydrophobicContact CB-CD2 3.71Å; F467-L475 HydrophobicContact CD1-CD2 3.64Å; F467-L475 HydrophobicContact CD2-CD2 3.81Å; F467-L475 HydrophobicContact CE1-CD2 4.18Å; F467-L475 HydrophobicContact CE2-CD2 4.31Å; F467-L475 HydrophobicContact CG-CD2 3.44Å; F467-L475 VanDerWaalsContact CG-CD2 3.44Å; F467-L475 HydrophobicContact CZ-CD2 4.48Å; F467-Y590 HydrophobicContact CB-CD1 4.26Å; F467-Y590 HydrophobicContact CB-CE1 3.67Å; F467-Y590 HydrophobicContact CB-CE2 4.2Å; F467-Y590 HydrophobicContact CD2-CD1 4.21Å; F467-Y590 HydrophobicContact CD2-CE1 4.43Å; F467-Y590 HydrophobicContact CG-CE1 4.42Å; F467-Y590 PolarHBondContact O-OH 2.68Å
468	T	91.2	Very high	94.9	Very high	89 Å²	89	39 Å²	39	55%	0.546	22%	0.221	S	C	.	.			trans	-86.4	128.6	165.8	-51.5	0	0	0	0	108.9	Y445 L470	Y445-T468 WeakPolarHBondContact CE1-O 3.25Å; Y445-T468 PolarHBondContact OH-N 3.25Å; T468-L470 HydrophobicContact CG2-CD2 3.68Å; T468-L470 HydrophobicContact CG2-CG 4.33Å; T468-L470 PolarHBondContact O-N 3.06Å
469	N	89.9	Confident	95	Very high	107 Å²	107	38.7 Å²	38.7	57%	0.572	22%	0.219	S	C	*	.			trans	-73.9	90.7	174.6	-171.6	-4.5	0	0	0	110.6	G472	N469-G472 VanDerWaalsContact OD1-CA 3.25Å; N469-G472 WeakPolarHBondContact OD1-CA 3.32Å; N469-G472 PolarHBondContact OD1-N 3.21Å
470	L	93.6	Very high	95.2	Very high	97 Å²	97	36.6 Å²	36.6	51%	0.508	20%	0.204	S	C	.	.	S	Bend	trans	-86.1	-23.2	-176	-63.4	-179.2	0	0	0	114.1	Y445 T468	Y445-L470 HydrophobicContact CD1-CD1 3.42Å; Y445-L470 VanDerWaalsContact CD1-CD1 3.42Å; Y445-L470 HydrophobicContact CD1-CG 4.05Å; Y445-L470 HydrophobicContact CE1-CD1 3.76Å; Y445-L470 HydrophobicContact CE1-CG 4.07Å; Y445-L470 HydrophobicContact CG-CD1 3.92Å; T468-L470 HydrophobicContact CG2-CD2 3.68Å; T468-L470 HydrophobicContact CG2-CG 4.33Å; T468-L470 PolarHBondContact O-N 3.06Å
471	F	95.2	Very high	95.2	Very high	73 Å²	73	36.2 Å²	36.2	32%	0.32	20%	0.202	S	C	.	.	S	Bend	trans	-126.8	-0.3	-169.9	-55.3	-70.8	0	0	0	114.6	Y445 T448 R449 Q473	Y445-F471 VanDerWaalsContact O-CE2 3.32Å; Y445-F471 WeakPolarHBondContact O-CE2 3.27Å; T448-F471 VanDerWaalsContact OG1-CD2 3.27Å; T448-F471 WeakPolarHBondContact OG1-CD2 3.38Å; R449-F471 HydrophobicContact CG-CB 4.33Å; R449-F471 HydrophobicContact CG-CD1 3.75Å; R449-F471 HydrophobicContact CG-CD2 3.8Å; R449-F471 HydrophobicContact CG-CE1 4.03Å; R449-F471 HydrophobicContact CG-CE2 4.07Å; R449-F471 HydrophobicContact CG-CG 3.65Å; R449-F471 HydrophobicContact CG-CZ 4.21Å; R449-F471 VanDerWaalsContact NH2-CE1 3.33Å; F471-Q473 PolarHBondContact O-N 2.97Å
472	G	93.3	Very high	95.1	Very high	58 Å²	58	38 Å²	38	60%	0.598	21%	0.213	S	C	*	.	S	Bend	trans	70.8	12.1	178.3	0	0	0	0	0	114.7	N469	N469-G472 VanDerWaalsContact OD1-CA 3.25Å; N469-G472 WeakPolarHBondContact OD1-CA 3.32Å; N469-G472 PolarHBondContact OD1-N 3.21Å
473	Q	95.2	Very high	95	Very high	77 Å²	77	36.7 Å²	36.7	36%	0.36	21%	0.207	S	C	.	.			trans	-93.5	149.5	177.4	-66.1	-72	-37	0	0	110.7	T448 R449 F471 L475	T448-Q473 WeakPolarHBondContact O-CB 3.35Å; R449-Q473 WeakPolarHBondContact O-CG 3.26Å; F471-Q473 PolarHBondContact O-N 2.97Å; Q473-L475 PolarHBondContact O-N 2.77Å
474	P	95.8	Very high	94.9	Very high	14 Å²	14	38.6 Å²	38.6	9%	0.091	21%	0.214	C	C	.	.			trans	-64.7	136.4	178.5	21.4	-28.6	0	0	0	112	L296 P451 L452 A550 Q553 F554	L296-P474 HydrophobicContact CD1-CG 4Å; P451-P474 WeakPolarHBondContact CA-O 3.42Å; P451-P474 HydrophobicContact CB-CG 3.93Å; P451-P474 HydrophobicContact CG-CG 4.05Å; L452-P474 PolarHBondContact N-O 3.44Å; L452-P474 VanDerWaalsContact N-O 3.1Å; P474-A550 HydrophobicContact CB-CB 4.04Å; P474-Q553 HydrophobicContact CB-CB 4.47Å; P474-F554 HydrophobicContact CB-CE2 3.73Å; P474-F554 HydrophobicContact CB-CZ 3.78Å; P474-F554 HydrophobicContact CG-CZ 4.18Å; P474-F554 WeakPolarHBondContact O-CZ 3.33Å
475	L	97.8	Very high	94.6	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	124.4	173.5	171.5	60.6	0	0	0	108.2	T448 L452 I454 F467 Q473 Y590 P591	T448-L475 HydrophobicContact CG2-CD2 4.03Å; L452-L475 HydrophobicContact CB-CD1 3.99Å; L452-L475 HydrophobicContact CD2-CD1 4.07Å; L452-L475 HydrophobicContact CG-CD1 3.98Å; L452-L475 WeakPolarHBondContact O-CA 3.12Å; L452-L475 WeakPolarHBondContact O-CD1 3.4Å; I454-L475 HydrophobicContact CD1-CD1 3.74Å; I454-L475 HydrophobicContact CG1-CD1 4.03Å; F467-L475 HydrophobicContact CB-CD2 3.71Å; F467-L475 HydrophobicContact CD1-CD2 3.64Å; F467-L475 HydrophobicContact CD2-CD2 3.81Å; F467-L475 HydrophobicContact CE1-CD2 4.18Å; F467-L475 HydrophobicContact CE2-CD2 4.31Å; F467-L475 HydrophobicContact CG-CD2 3.44Å; F467-L475 VanDerWaalsContact CG-CD2 3.44Å; F467-L475 HydrophobicContact CZ-CD2 4.48Å; Q473-L475 PolarHBondContact O-N 2.77Å; L475-Y590 HydrophobicContact CB-CE1 4.44Å; L475-Y590 HydrophobicContact CD2-CD1 4.25Å; L475-Y590 HydrophobicContact CD2-CE1 3.88Å; L475-Y590 HydrophobicContact CG-CD1 4.2Å; L475-Y590 HydrophobicContact CG-CE1 4.05Å; L475-P591 WeakPolarHBondContact O-CD 3.24Å
476	V	98.2	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134	168.9	166.4	0	0	0	0	109.2	L452 F453 I454 L478 A550 F551 F554 L564 Y590	L452-V476 PolarHBondContact O-N 2.77Å; F453-V476 CarbonylContact C-O 3.52Å; F453-V476 WeakPolarHBondContact CA-O 3.49Å; F453-V476 HydrophobicContact CD2-CB 3.9Å; F453-V476 HydrophobicContact CD2-CG1 4.11Å; F453-V476 HydrophobicContact CE2-CB 3.83Å; F453-V476 HydrophobicContact CE2-CG1 3.57Å; F453-V476 HydrophobicContact CZ-CG1 3.87Å; I454-V476 PolarHBondContact N-O 2.99Å; V476-L478 HydrophobicContact CG1-CD2 4.02Å; V476-A550 HydrophobicContact CG2-CB 4.06Å; V476-F551 HydrophobicContact CB-CE1 4.47Å; V476-F551 HydrophobicContact CG1-CD1 4.08Å; V476-F551 HydrophobicContact CG1-CE1 3.58Å; V476-F551 HydrophobicContact CG1-CZ 4.17Å; V476-F551 HydrophobicContact CG2-CD1 3.9Å; V476-F551 HydrophobicContact CG2-CD2 4.4Å; V476-F551 HydrophobicContact CG2-CE1 3.97Å; V476-F551 HydrophobicContact CG2-CE2 4.46Å; V476-F551 HydrophobicContact CG2-CG 4.13Å; V476-F551 HydrophobicContact CG2-CZ 4.24Å; V476-F554 HydrophobicContact CB-CD2 3.89Å; V476-F554 HydrophobicContact CB-CE2 3.88Å; V476-F554 HydrophobicContact CG2-CD2 3.57Å; V476-F554 HydrophobicContact CG2-CE2 3.73Å; V476-L564 HydrophobicContact CG1-CD2 4.42Å; V476-Y590 CarbonylContact C-O 3.57Å; V476-Y590 VanDerWaalsContact CA-O 3.25Å; V476-Y590 WeakPolarHBondContact CA-O 3.22Å
477	C	98.7	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129	171	-53.1	0	0	0	0	109.9	I454 L479 S589 Y590	I454-C477 HydrophobicContact CB-CB 4.36Å; I454-C477 CarbonylContact O-C 3.6Å; I454-C477 VanDerWaalsContact O-CA 3.22Å; I454-C477 WeakPolarHBondContact O-CA 3.29Å; C477-L479 HydrophobicContact CB-CD2 3.82Å; C477-L479 HydrophobicContact CB-CG 4.39Å; C477-S589 CarbonylContact O-C 3.58Å; C477-S589 WeakPolarHBondContact O-CA 3.29Å; C477-S589 WeakPolarHBondContact O-CB 3.49Å; C477-Y590 PolarHBondContact N-O 3.46Å; C477-Y590 PolarHBondContact O-N 3.42Å
478	L	98.8	Very high	93.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118	168.8	-53.7	-174.5	0	0	0	108.6	F453 I454 I455 V456 V476 F498 L564 F567	F453-L478 HydrophobicContact CE1-CD1 3.72Å; F453-L478 HydrophobicContact CE1-CG 3.88Å; F453-L478 HydrophobicContact CZ-CD1 3.77Å; F453-L478 HydrophobicContact CZ-CD2 4.4Å; F453-L478 HydrophobicContact CZ-CG 3.92Å; I454-L478 PolarHBondContact O-N 2.94Å; I455-L478 CarbonylContact C-O 3.55Å; I455-L478 WeakPolarHBondContact CA-O 3.45Å; I455-L478 HydrophobicContact CG1-CB 4.28Å; I455-L478 HydrophobicContact CG1-CD1 4.3Å; I455-L478 HydrophobicContact CG1-CG 4.48Å; V456-L478 PolarHBondContact N-O 2.71Å; V476-L478 HydrophobicContact CG1-CD2 4.02Å; L478-F498 HydrophobicContact CB-CZ 4.2Å; L478-L564 HydrophobicContact CD2-CD2 4Å; L478-F567 HydrophobicContact CB-CD2 3.82Å; L478-F567 HydrophobicContact CB-CE2 3.96Å; L478-F567 HydrophobicContact CD1-CB 3.96Å; L478-F567 HydrophobicContact CD1-CD2 4.09Å; L478-F567 HydrophobicContact CD1-CG 4.1Å; L478-F567 HydrophobicContact CD2-CB 4.44Å; L478-F567 HydrophobicContact CD2-CD1 3.98Å; L478-F567 HydrophobicContact CD2-CD2 3.9Å; L478-F567 HydrophobicContact CD2-CE1 4.21Å; L478-F567 HydrophobicContact CD2-CE2 4.12Å; L478-F567 HydrophobicContact CD2-CG 3.83Å; L478-F567 HydrophobicContact CD2-CZ 4.29Å; L478-F567 HydrophobicContact CG-CD2 4.15Å; L478-F567 HydrophobicContact CG-CG 4.38Å
479	L	98.7	Very high	93.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.9	-169.6	-48.8	179.5	0	0	0	109.2	V456 K465 C477 P587 E588	V456-L479 HydrophobicContact CB-CD2 3.91Å; V456-L479 HydrophobicContact CG2-CD2 3.86Å; K465-L479 HydrophobicContact CB-CD1 3.73Å; C477-L479 HydrophobicContact CB-CD2 3.82Å; C477-L479 HydrophobicContact CB-CG 4.39Å; L479-P587 CarbonylContact O-C 3.49Å; L479-P587 WeakPolarHBondContact O-CA 3.46Å; L479-P587 WeakPolarHBondContact O-CB 3.07Å; L479-E588 WeakPolarHBondContact CA-O 3.39Å; L479-E588 HydrophobicContact CB-CB 4.43Å; L479-E588 VanDerWaalsContact CB-O 3.31Å; L479-E588 WeakPolarHBondContact CB-O 3.27Å; L479-E588 PolarHBondContact N-O 3.17Å; L479-E588 PolarHBondContact O-N 2.93Å
480	S	98.1	Very high	92.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	26%	0.256	C	S	.	.			trans	-60.3	160.5	172.5	53.9	0	0	0	0	112.7	V456 D457 S458 S461	V456-S480 WeakPolarHBondContact O-CB 3.3Å; V456-S480 PolarHBondContact O-N 3.33Å; V456-S480 PolarHBondContact O-OG 3.45Å; D457-S480 VanDerWaalsContact CA-OG 3.26Å; D457-S480 WeakPolarHBondContact CA-OG 3.28Å; S458-S480 PolarHBondContact N-OG 2.94Å; S458-S480 PolarHBondContact O-OG 3.08Å; S461-S480 WeakPolarHBondContact CB-OG 3.45Å; S461-S480 PolarHBondContact OG-O 3Å
481	P	96.8	Very high	91.3	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.019	25%	0.249	C	C	.	.			trans	-53.1	140.8	163.1	-24.6	35.6	0	0	0	112	A483 Y484 M574 N585	P481-A483 VanDerWaalsContact C-N 3.34Å; P481-Y484 HydrophobicContact CB-CE1 4.14Å; P481-Y484 HydrophobicContact CG-CE1 3.85Å; P481-M574 HydrophobicContact CG-CE 4.35Å; P481-M574 HydrophobicContact CG-SD 3.76Å; P481-N585 WeakPolarHBondContact CG-O 3.43Å
482	T	94.8	Very high	90.3	Very high	36 Å²	36	44.8 Å²	44.8	22%	0.221	26%	0.255	C	S	.	.	S	Bend	trans	-83.3	-15	177.1	50.3	0	0	0	0	112.8	S459 V462 R584	S459-T482 WeakPolarHBondContact O-CB 3.37Å; S459-T482 WeakPolarHBondContact O-CG2 3.32Å; V462-T482 HydrophobicContact CB-CG2 4.25Å; V462-T482 HydrophobicContact CG1-CG2 3.62Å; V462-T482 HydrophobicContact CG2-CG2 3.81Å; T482-R584 PolarHBondContact N-O 3.01Å; T482-R584 VanDerWaalsContact N-O 3.07Å; T482-R584 WeakPolarHBondContact OG1-CB 3.47Å
483	A	92.9	Very high	89.8	Confident	15 Å²	15	45.5 Å²	45.5	12%	0.124	24%	0.243	C	C	.	.			trans	-149.4	135.8	170.4	0	0	0	0	0	111.3	P481 R584 N585	P481-A483 VanDerWaalsContact C-N 3.34Å; A483-R584 HydrophobicContact CB-CG 4.14Å; A483-R584 VanDerWaalsContact CB-CZ 3.46Å; A483-R584 PolarHBondContact N-O 2.92Å; A483-N585 WeakPolarHBondContact O-CA 3.24Å; A483-N585 PolarHBondContact O-ND2 3.01Å
484	Y	91.9	Very high	89.5	Confident	44 Å²	44	47 Å²	47	17%	0.173	25%	0.245	C	C	.	.			trans	-91	151.6	169.2	-69.2	-71.7	0	0	0	111.7	P481 Q489 S496 L497 F498 M574 F580	P481-Y484 HydrophobicContact CB-CE1 4.14Å; P481-Y484 HydrophobicContact CG-CE1 3.85Å; Y484-Q489 PolarHBondContact O-NE2 3.18Å; Y484-S496 PolarHBondContact OH-OG 2.97Å; Y484-L497 HydrophobicContact CD1-CD2 4.23Å; Y484-L497 HydrophobicContact CE1-CB 3.84Å; Y484-L497 HydrophobicContact CE1-CD2 3.98Å; Y484-L497 HydrophobicContact CE1-CG 4.28Å; Y484-F498 WeakPolarHBondContact OH-CB 3.25Å; Y484-F498 PolarHBondContact OH-N 3.07Å; Y484-F498 VanDerWaalsContact OH-N 3.07Å; Y484-M574 HydrophobicContact CE1-CE 4.09Å; Y484-F580 HydrophobicContact CD1-CE1 4.36Å
485	P	91.6	Very high	89.4	Confident	16 Å²	16	46.8 Å²	46.8	10%	0.104	25%	0.245	C	C	.	.			trans	-51.8	144.1	169.4	-26.5	35.5	0	0	0	111.8	A487 L488 Q489 I579 F580	P485-A487 PolarHBondContact O-N 3.06Å; P485-A487 VanDerWaalsContact O-N 3.11Å; P485-L488 PolarHBondContact O-N 3.45Å; P485-Q489 PolarHBondContact O-N 3.32Å; P485-I579 HydrophobicContact CB-CG1 4.36Å; P485-I579 HydrophobicContact CG-CG1 4.11Å; P485-I579 VanDerWaalsContact CG-O 3.28Å; P485-I579 WeakPolarHBondContact CG-O 3.34Å; P485-F580 HydrophobicContact CG-CD1 3.73Å; P485-F580 HydrophobicContact CG-CE1 4.01Å; P485-F580 HydrophobicContact CG-CG 4.04Å
486	K	87.5	Confident	89.2	Confident	177 Å²	177	46.6 Å²	46.6	77%	0.77	25%	0.245	S	C	*	.	H	α-helix	trans	-51.9	-38.9	-175.8	-69.7	-175.6	178.3	-178.4	0	113.4	L488 Q489	K486-L488 PolarHBondContact O-N 3.05Å; K486-L488 VanDerWaalsContact O-N 3.08Å; K486-Q489 PolarHBondContact O-N 3.21Å; K486-Q489 VanDerWaalsContact O-N 3.13Å
487	A	86.4	Confident	89.1	Confident	79 Å²	79	47.2 Å²	47.2	65%	0.653	25%	0.249	S	C	*	.	H	α-helix	trans	-59.4	-19.5	178.5	0	0	0	0	0	114.4	P485	P485-A487 PolarHBondContact O-N 3.06Å; P485-A487 VanDerWaalsContact O-N 3.11Å
488	L	85.6	Confident	89.1	Confident	24 Å²	24	47.2 Å²	47.2	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-106	-9.4	-179.4	-61.4	177.8	0	0	0	113.2	P485 K486 D490 Q491 L497 F511 I579 F580	P485-L488 PolarHBondContact O-N 3.45Å; K486-L488 PolarHBondContact O-N 3.05Å; K486-L488 VanDerWaalsContact O-N 3.08Å; L488-D490 PolarHBondContact O-N 3.36Å; L488-Q491 PolarHBondContact O-N 3.44Å; L488-L497 HydrophobicContact CD1-CD2 3.92Å; L488-F511 HydrophobicContact CD2-CE1 4.07Å; L488-F511 HydrophobicContact CD2-CZ 3.9Å; L488-I579 HydrophobicContact CD1-CD1 3.99Å; L488-I579 HydrophobicContact CG-CD1 4.3Å; L488-F580 HydrophobicContact CD1-CE1 4.01Å; L488-F580 HydrophobicContact CD1-CE2 4.41Å; L488-F580 HydrophobicContact CD1-CZ 3.56Å
489	Q	77.5	Confident	89	Confident	93 Å²	93	47.2 Å²	47.2	44%	0.435	25%	0.249	S	C	.	.	H	α-helix	trans	-68.2	-36.3	-173.9	-70.9	-179.3	-0.9	0	0	112.8	Y484 P485 K486 Q491 S492	Y484-Q489 PolarHBondContact O-NE2 3.18Å; P485-Q489 PolarHBondContact O-N 3.32Å; K486-Q489 PolarHBondContact O-N 3.21Å; K486-Q489 VanDerWaalsContact O-N 3.13Å; Q489-Q491 PolarHBondContact O-N 3.01Å; Q489-Q491 VanDerWaalsContact O-N 3.16Å; Q489-S492 VanDerWaalsContact O-CB 3.31Å; Q489-S492 WeakPolarHBondContact O-CB 3.37Å; Q489-S492 PolarHBondContact O-N 2.95Å; Q489-S492 PolarHBondContact O-OG 3.05Å
490	D	67.8	Low	88.9	Confident	146 Å²	146	47.4 Å²	47.4	78%	0.781	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.7	179.4	-65.7	-19.7	0	0	0	112.9	L488	L488-D490 PolarHBondContact O-N 3.36Å
491	Q	76.1	Confident	88.9	Confident	76 Å²	76	47.3 Å²	47.3	36%	0.355	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-0	-179.3	-57.1	-151.8	20.5	0	0	114.1	L488 Q489 Q493 R494 F511	L488-Q491 PolarHBondContact O-N 3.44Å; Q489-Q491 PolarHBondContact O-N 3.01Å; Q489-Q491 VanDerWaalsContact O-N 3.16Å; Q491-Q493 PolarHBondContact O-N 3.33Å; Q491-R494 PolarHBondContact O-N 3.41Å; Q491-F511 HydrophobicContact CB-CZ 4.24Å; Q491-F511 HydrophobicContact CG-CZ 4.38Å
492	S	73.2	Confident	89	Confident	65 Å²	65	47.2 Å²	47.2	46%	0.455	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-56.7	-23.1	179.9	56.1	0	0	0	0	114.5	Q489 R494 G495	Q489-S492 VanDerWaalsContact O-CB 3.31Å; Q489-S492 WeakPolarHBondContact O-CB 3.37Å; Q489-S492 PolarHBondContact O-N 2.95Å; Q489-S492 PolarHBondContact O-OG 3.05Å; S492-R494 PolarHBondContact O-N 3.47Å; S492-G495 PolarHBondContact O-N 3.16Å
493	Q	83.6	Confident	89.1	Confident	72 Å²	72	45.7 Å²	45.7	34%	0.336	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-64.4	-29.4	176.2	-54.3	-57.9	-66.3	0	0	112.2	N309 V311 Q491 G495	N309-Q493 PolarHBondContact O-OE1 3.41Å; V311-Q493 WeakPolarHBondContact CB-O 3.49Å; V311-Q493 VanDerWaalsContact CG2-O 3.31Å; V311-Q493 WeakPolarHBondContact CG2-O 3.48Å; V311-Q493 PolarHBondContact N-O 3.5Å; Q491-Q493 PolarHBondContact O-N 3.33Å; Q493-G495 VanDerWaalsContact C-N 3.25Å; Q493-G495 PolarHBondContact O-N 2.76Å
494	R	88.9	Confident	89.3	Confident	110 Å²	110	45.2 Å²	45.2	42%	0.415	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-88.6	19.4	-178.8	-63.8	-175.1	174.7	-174.5	-5.9	113.6	R322 Q491 S492	R322-R494 PolarHBondContact NH1-O 3Å; Q491-R494 PolarHBondContact O-N 3.41Å; S492-R494 PolarHBondContact O-N 3.47Å
495	G	91.9	Very high	89.5	Confident	8 Å²	8	43.3 Å²	43.3	8%	0.082	23%	0.227	C	C	.	.			trans	97.7	165.4	-178.3	0	0	0	0	0	113.3	D319 S492 Q493	D319-G495 WeakPolarHBondContact OD1-CA 3.41Å; S492-G495 PolarHBondContact O-N 3.16Å; Q493-G495 VanDerWaalsContact C-N 3.25Å; Q493-G495 PolarHBondContact O-N 2.76Å
496	S	94.2	Very high	89.8	Confident	13 Å²	13	42.6 Å²	42.6	9%	0.091	22%	0.223	C	C	.	.			trans	-76.3	139.3	179.4	176.1	0	0	0	0	111.8	D319 D457 Y484 F498 T499 L500	D319-S496 PolarHBondContact OD1-N 2.51Å; D319-S496 WeakPolarHBondContact OD2-CB 3.36Å; D319-S496 PolarHBondContact OD2-N 3.33Å; D457-S496 PolarHBondContact OD1-OG 3.23Å; D457-S496 WeakPolarHBondContact OD2-CB 3.01Å; D457-S496 PolarHBondContact OD2-OG 3.07Å; Y484-S496 PolarHBondContact OH-OG 2.97Å; S496-F498 VanDerWaalsContact C-N 3.27Å; S496-F498 PolarHBondContact O-N 2.8Å; S496-F498 PolarHBondContact OG-N 3.48Å; S496-T499 PolarHBondContact O-N 3.32Å; S496-L500 WeakPolarHBondContact O-CB 3.01Å; S496-L500 PolarHBondContact O-N 2.92Å
497	L	96.1	Very high	90.2	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-36.9	172.1	176	58.4	0	0	0	111.4	Y484 L488 L500 F501 A508 F511 V512 M574 F580	Y484-L497 HydrophobicContact CD1-CD2 4.23Å; Y484-L497 HydrophobicContact CE1-CB 3.84Å; Y484-L497 HydrophobicContact CE1-CD2 3.98Å; Y484-L497 HydrophobicContact CE1-CG 4.28Å; L488-L497 HydrophobicContact CD1-CD2 3.92Å; L497-L500 PolarHBondContact O-N 3.45Å; L497-F501 HydrophobicContact CD1-CD2 3.84Å; L497-F501 HydrophobicContact CD1-CE2 3.7Å; L497-F501 HydrophobicContact CD2-CE2 4.45Å; L497-F501 HydrophobicContact CG-CD2 4.03Å; L497-F501 HydrophobicContact CG-CE2 4Å; L497-F501 WeakPolarHBondContact O-CD2 3.47Å; L497-F501 PolarHBondContact O-N 2.77Å; L497-A508 HydrophobicContact CD1-CB 4.24Å; L497-F511 HydrophobicContact CD1-CD1 3.87Å; L497-F511 HydrophobicContact CD1-CE1 4.24Å; L497-V512 HydrophobicContact CD1-CG1 3.65Å; L497-V512 HydrophobicContact CD2-CG1 3.5Å; L497-V512 VanDerWaalsContact CD2-CG1 3.5Å; L497-V512 HydrophobicContact CG-CG1 4.19Å; L497-M574 HydrophobicContact CD2-CE 3.68Å; L497-M574 HydrophobicContact CG-CE 3.73Å; L497-F580 HydrophobicContact CD2-CE1 4.17Å; L497-F580 HydrophobicContact CD2-CZ 3.91Å
498	F	97.9	Very high	90.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-48.9	178	178	-116.5	0	0	0	110.8	I455 D457 L478 Y484 S496 L500 F501 L502 F567 P587	I455-F498 HydrophobicContact CG2-CE1 3.79Å; I455-F498 HydrophobicContact CG2-CZ 4.48Å; D457-F498 HydrophobicContact CB-CD1 4.22Å; L478-F498 HydrophobicContact CB-CZ 4.2Å; Y484-F498 WeakPolarHBondContact OH-CB 3.25Å; Y484-F498 PolarHBondContact OH-N 3.07Å; Y484-F498 VanDerWaalsContact OH-N 3.07Å; S496-F498 VanDerWaalsContact C-N 3.27Å; S496-F498 PolarHBondContact O-N 2.8Å; S496-F498 PolarHBondContact OG-N 3.48Å; F498-L500 VanDerWaalsContact C-N 3.3Å; F498-L500 PolarHBondContact O-N 2.95Å; F498-F501 WeakPolarHBondContact O-CB 3.26Å; F498-F501 PolarHBondContact O-N 2.79Å; F498-F501 VanDerWaalsContact O-N 3.16Å; F498-L502 HydrophobicContact CD1-CD1 4.19Å; F498-L502 HydrophobicContact CE1-CD1 3.74Å; F498-L502 HydrophobicContact CE2-CD1 4.43Å; F498-L502 HydrophobicContact CZ-CD1 3.88Å; F498-L502 HydrophobicContact CZ-CG 4.45Å; F498-L502 WeakPolarHBondContact O-CG 3.32Å; F498-L502 PolarHBondContact O-N 3.31Å; F498-F567 AromaticContact CE2-CD2 3.68Å; F498-F567 HydrophobicContact CE2-CD2 3.68Å; F498-F567 AromaticContact CE2-CE2 3.89Å; F498-F567 HydrophobicContact CE2-CE2 3.89Å; F498-F567 AromaticContact CZ-CD2 3.85Å; F498-F567 HydrophobicContact CZ-CD2 3.85Å; F498-F567 HydrophobicContact CZ-CE2 4.04Å; F498-P587 HydrophobicContact CD2-CB 4.09Å; F498-P587 HydrophobicContact CE2-CB 3.74Å; F498-P587 HydrophobicContact CE2-CG 4.48Å
499	T	97.7	Very high	91.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-36.1	175	-67.9	0	0	0	0	112.6	D319 R322 Y389 D457 S496 F501 L502 N503	D319-T499 HydrophobicContact CB-CG2 4.1Å; R322-T499 HydrophobicContact CB-CG2 3.9Å; Y389-T499 WeakPolarHBondContact OH-CB 3.31Å; Y389-T499 VanDerWaalsContact OH-CG2 3.27Å; Y389-T499 WeakPolarHBondContact OH-CG2 3.46Å; Y389-T499 PolarHBondContact OH-OG1 2.8Å; D457-T499 WeakPolarHBondContact OD2-CB 3.27Å; D457-T499 PolarHBondContact OD2-N 3.32Å; D457-T499 PolarHBondContact OD2-OG1 3.21Å; S496-T499 PolarHBondContact O-N 3.32Å; T499-F501 VanDerWaalsContact C-N 3.35Å; T499-F501 PolarHBondContact O-N 2.82Å; T499-L502 PolarHBondContact O-N 3.2Å; T499-N503 WeakPolarHBondContact O-CB 3.47Å; T499-N503 PolarHBondContact O-N 2.87Å
500	L	97.4	Very high	92.2	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-42.7	173.5	-176.4	61.1	0	0	0	111.6	P262 S496 L497 F498 L502 N503 N504 M507 A508 F511	P262-L500 HydrophobicContact CG-CD2 3.65Å; S496-L500 WeakPolarHBondContact O-CB 3.01Å; S496-L500 PolarHBondContact O-N 2.92Å; L497-L500 PolarHBondContact O-N 3.45Å; F498-L500 VanDerWaalsContact C-N 3.3Å; F498-L500 PolarHBondContact O-N 2.95Å; L500-L502 PolarHBondContact O-N 2.8Å; L500-N503 PolarHBondContact O-N 3.43Å; L500-N504 CarbonylContact O-C 3.46Å; L500-N504 VanDerWaalsContact O-C 3.27Å; L500-N504 WeakPolarHBondContact O-CA 3.26Å; L500-N504 PolarHBondContact O-N 2.94Å; L500-M507 HydrophobicContact CD1-CB 4.46Å; L500-M507 HydrophobicContact CD1-CG 4.26Å; L500-M507 HydrophobicContact CD1-SD 4.11Å; L500-A508 HydrophobicContact CB-CB 4.35Å; L500-A508 HydrophobicContact CD2-CB 4.13Å; L500-A508 HydrophobicContact CG-CB 3.84Å; L500-F511 HydrophobicContact CD2-CD1 4.42Å
501	F	98.2	Very high	93.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.2	-41.4	173.8	-92.2	-76.8	0	0	0	112.8	L497 F498 T499 N503 P505 A508 V512 F569 C570 T573 M574	L497-F501 HydrophobicContact CD1-CD2 3.84Å; L497-F501 HydrophobicContact CD1-CE2 3.7Å; L497-F501 HydrophobicContact CD2-CE2 4.45Å; L497-F501 HydrophobicContact CG-CD2 4.03Å; L497-F501 HydrophobicContact CG-CE2 4Å; L497-F501 WeakPolarHBondContact O-CD2 3.47Å; L497-F501 PolarHBondContact O-N 2.77Å; F498-F501 WeakPolarHBondContact O-CB 3.26Å; F498-F501 PolarHBondContact O-N 2.79Å; F498-F501 VanDerWaalsContact O-N 3.16Å; T499-F501 VanDerWaalsContact C-N 3.35Å; T499-F501 PolarHBondContact O-N 2.82Å; F501-N503 VanDerWaalsContact C-N 3.3Å; F501-N503 PolarHBondContact O-N 2.76Å; F501-P505 HydrophobicContact CD1-CB 4.38Å; F501-P505 WeakPolarHBondContact O-CA 3.43Å; F501-P505 WeakPolarHBondContact O-CD 3.16Å; F501-A508 HydrophobicContact CB-CB 4.09Å; F501-A508 HydrophobicContact CD1-CB 3.55Å; F501-A508 HydrophobicContact CD2-CB 3.46Å; F501-A508 VanDerWaalsContact CD2-CB 3.46Å; F501-A508 HydrophobicContact CE1-CB 3.72Å; F501-A508 HydrophobicContact CE2-CB 3.63Å; F501-A508 HydrophobicContact CG-CB 3.4Å; F501-A508 HydrophobicContact CZ-CB 3.74Å; F501-V512 HydrophobicContact CE2-CG1 4.25Å; F501-V512 HydrophobicContact CZ-CG2 4.33Å; F501-F569 HydrophobicContact CD1-CD1 4.11Å; F501-F569 HydrophobicContact CD1-CE1 4.35Å; F501-F569 HydrophobicContact CE1-CD1 4.06Å; F501-F569 AromaticContact CE1-CE1 3.94Å; F501-F569 HydrophobicContact CE1-CE1 3.94Å; F501-C570 HydrophobicContact CB-CB 3.67Å; F501-C570 HydrophobicContact CD1-CB 3.87Å; F501-C570 HydrophobicContact CD2-CB 4.25Å; F501-C570 WeakPolarHBondContact CD2-SG 3.49Å; F501-C570 HydrophobicContact CG-CB 3.68Å; F501-C570 VanDerWaalsContact CG-SG 3.51Å; F501-T573 HydrophobicContact CE1-CG2 4.18Å; F501-T573 HydrophobicContact CZ-CG2 3.82Å; F501-M574 HydrophobicContact CD2-CE 3.88Å; F501-M574 HydrophobicContact CE2-CE 3.86Å
502	L	98.2	Very high	94.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.5	-26.1	179.1	-64.1	-175.7	0	0	0	113.1	M323 I455 F498 T499 L500 L563 R566 F567	M323-L502 HydrophobicContact CE-CB 4.29Å; M323-L502 HydrophobicContact CE-CD1 4.17Å; I455-L502 HydrophobicContact CD1-CD1 4.3Å; I455-L502 HydrophobicContact CG2-CD1 3.75Å; F498-L502 HydrophobicContact CD1-CD1 4.19Å; F498-L502 HydrophobicContact CE1-CD1 3.74Å; F498-L502 HydrophobicContact CE2-CD1 4.43Å; F498-L502 HydrophobicContact CZ-CD1 3.88Å; F498-L502 HydrophobicContact CZ-CG 4.45Å; F498-L502 WeakPolarHBondContact O-CG 3.32Å; F498-L502 PolarHBondContact O-N 3.31Å; T499-L502 PolarHBondContact O-N 3.2Å; L500-L502 PolarHBondContact O-N 2.8Å; L502-L563 HydrophobicContact CB-CD2 4.11Å; L502-R566 HydrophobicContact CD2-CB 4.32Å; L502-R566 WeakPolarHBondContact O-CD 3.24Å; L502-R566 PolarHBondContact O-NH1 3.49Å; L502-F567 HydrophobicContact CD2-CB 4.01Å
503	N	97	Very high	95.6	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-90.8	-50.3	176.9	170.1	68.2	0	0	0	113	N277 R322 T499 L500 F501 R566	N277-N503 WeakPolarHBondContact CB-OD1 3.39Å; N277-N503 PolarHBondContact ND2-ND2 3.21Å; R322-N503 HydrophobicContact CB-CB 3.8Å; R322-N503 HydrophobicContact CG-CB 4.29Å; R322-N503 PolarHBondContact O-OD1 3.38Å; R322-N503 VanDerWaalsContact O-OD1 3.05Å; T499-N503 WeakPolarHBondContact O-CB 3.47Å; T499-N503 PolarHBondContact O-N 2.87Å; L500-N503 PolarHBondContact O-N 3.43Å; F501-N503 VanDerWaalsContact C-N 3.3Å; F501-N503 PolarHBondContact O-N 2.76Å; N503-R566 VanDerWaalsContact O-CZ 3.27Å; N503-R566 PolarHBondContact O-NH1 2.8Å; N503-R566 PolarHBondContact O-NH2 2.92Å
504	N	96.1	Very high	96.1	Very high	5 Å²	5	13.5 Å²	13.5	3%	0.027	8%	0.082	C	C	.	.			trans	-141.6	85.3	-177.8	-169.9	-24.9	0	0	0	110.4	N277 L500 L506 M507 A508	N277-N504 WeakPolarHBondContact OD1-CB 3.31Å; N277-N504 PolarHBondContact OD1-ND2 2.83Å; L500-N504 CarbonylContact O-C 3.46Å; L500-N504 VanDerWaalsContact O-C 3.27Å; L500-N504 WeakPolarHBondContact O-CA 3.26Å; L500-N504 PolarHBondContact O-N 2.94Å; N504-L506 VanDerWaalsContact C-N 3.26Å; N504-L506 PolarHBondContact O-N 3.43Å; N504-L506 PolarHBondContact OD1-N 3.24Å; N504-M507 HydrophobicContact CB-CB 3.95Å; N504-M507 VanDerWaalsContact CG-CB 3.44Å; N504-M507 PolarHBondContact O-N 2.8Å; N504-M507 PolarHBondContact OD1-N 2.91Å; N504-A508 PolarHBondContact O-N 3.19Å
505	P	97	Very high	96.4	Very high	5 Å²	5	10.5 Å²	10.5	3%	0.032	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-32	-176	23.8	-36.9	0	0	0	113.8	F501 F509 L530 R566 F569	F501-P505 HydrophobicContact CD1-CB 4.38Å; F501-P505 WeakPolarHBondContact O-CA 3.43Å; F501-P505 WeakPolarHBondContact O-CD 3.16Å; P505-F509 WeakPolarHBondContact O-CB 3.38Å; P505-F509 PolarHBondContact O-N 2.92Å; P505-L530 HydrophobicContact CB-CD2 4.07Å; P505-L530 HydrophobicContact CG-CD2 3.56Å; P505-R566 HydrophobicContact CB-CG 4.46Å; P505-R566 HydrophobicContact CG-CG 3.97Å; P505-F569 HydrophobicContact CB-CD1 3.65Å; P505-F569 HydrophobicContact CB-CE1 3.92Å
506	L	97.2	Very high	96.5	Very high	1 Å²	1	14 Å²	14	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-69.3	-48.5	177	-177.1	56.6	0	0	0	110.6	N504 A508 F509 L510 W523 C526 Q527 L530	N504-L506 VanDerWaalsContact C-N 3.26Å; N504-L506 PolarHBondContact O-N 3.43Å; N504-L506 PolarHBondContact OD1-N 3.24Å; L506-A508 VanDerWaalsContact C-N 3.26Å; L506-A508 PolarHBondContact O-N 3.18Å; L506-F509 WeakPolarHBondContact O-CB 3.11Å; L506-F509 PolarHBondContact O-N 3.28Å; L506-F509 VanDerWaalsContact O-N 3.07Å; L506-L510 HydrophobicContact CD1-CD2 4.34Å; L506-L510 HydrophobicContact CD1-CG 4.28Å; L506-L510 HydrophobicContact CG-CD1 4.34Å; L506-L510 HydrophobicContact CG-CG 4.43Å; L506-L510 VanDerWaalsContact O-CG 3.29Å; L506-L510 WeakPolarHBondContact O-CG 3.5Å; L506-L510 PolarHBondContact O-N 2.97Å; L506-W523 HydrophobicContact CB-CH2 4.08Å; L506-W523 HydrophobicContact CB-CZ3 4.12Å; L506-W523 HydrophobicContact CD2-CD2 3.8Å; L506-W523 HydrophobicContact CD2-CE3 3.53Å; L506-W523 HydrophobicContact CD2-CH2 3.99Å; L506-W523 HydrophobicContact CD2-CZ2 4.25Å; L506-W523 HydrophobicContact CD2-CZ3 3.64Å; L506-W523 HydrophobicContact CG-CE3 3.97Å; L506-W523 HydrophobicContact CG-CH2 4.08Å; L506-W523 HydrophobicContact CG-CZ3 3.64Å; L506-C526 HydrophobicContact CD1-CB 3.77Å; L506-C526 HydrophobicContact CD2-CB 3.77Å; L506-C526 HydrophobicContact CG-CB 4.44Å; L506-Q527 HydrophobicContact CD2-CB 4.39Å; L506-Q527 HydrophobicContact CD2-CG 3.59Å; L506-L530 HydrophobicContact CB-CD2 3.93Å
507	M	96.2	Very high	96.5	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-58.4	-40.9	177.7	-173.3	173.4	-76.4	0	0	111.7	D261 P262 V263 L500 N504 L510 F511 W523	D261-M507 HydrophobicContact CB-SD 4.07Å; P262-M507 HydrophobicContact CG-CG 4.42Å; V263-M507 HydrophobicContact CB-CG 4.19Å; V263-M507 HydrophobicContact CG2-CG 4.32Å; L500-M507 HydrophobicContact CD1-CB 4.46Å; L500-M507 HydrophobicContact CD1-CG 4.26Å; L500-M507 HydrophobicContact CD1-SD 4.11Å; N504-M507 HydrophobicContact CB-CB 3.95Å; N504-M507 VanDerWaalsContact CG-CB 3.44Å; N504-M507 PolarHBondContact O-N 2.8Å; N504-M507 PolarHBondContact OD1-N 2.91Å; M507-L510 PolarHBondContact O-N 2.76Å; M507-F511 WeakPolarHBondContact O-CB 3.49Å; M507-F511 PolarHBondContact O-N 3.46Å; M507-W523 HydrophobicContact CB-CH2 4.22Å; M507-W523 HydrophobicContact CB-CZ3 4.49Å
508	A	97.1	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.7	-44.6	173.9	0	0	0	0	0	112.3	L497 L500 F501 N504 L506 F511 V512	L497-A508 HydrophobicContact CD1-CB 4.24Å; L500-A508 HydrophobicContact CB-CB 4.35Å; L500-A508 HydrophobicContact CD2-CB 4.13Å; L500-A508 HydrophobicContact CG-CB 3.84Å; F501-A508 HydrophobicContact CB-CB 4.09Å; F501-A508 HydrophobicContact CD1-CB 3.55Å; F501-A508 HydrophobicContact CD2-CB 3.46Å; F501-A508 VanDerWaalsContact CD2-CB 3.46Å; F501-A508 HydrophobicContact CE1-CB 3.72Å; F501-A508 HydrophobicContact CE2-CB 3.63Å; F501-A508 HydrophobicContact CG-CB 3.4Å; F501-A508 HydrophobicContact CZ-CB 3.74Å; N504-A508 PolarHBondContact O-N 3.19Å; L506-A508 VanDerWaalsContact C-N 3.26Å; L506-A508 PolarHBondContact O-N 3.18Å; A508-F511 PolarHBondContact O-N 3.15Å; A508-V512 WeakPolarHBondContact O-CG2 3.47Å; A508-V512 PolarHBondContact O-N 2.91Å
509	F	98.1	Very high	96.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-45.6	177.4	-172.5	-86.1	0	0	0	112.1	P505 L506 V512 S513 F569 T573 I608 L611 A612 L615 F621	P505-F509 WeakPolarHBondContact O-CB 3.38Å; P505-F509 PolarHBondContact O-N 2.92Å; L506-F509 WeakPolarHBondContact O-CB 3.11Å; L506-F509 PolarHBondContact O-N 3.28Å; L506-F509 VanDerWaalsContact O-N 3.07Å; F509-V512 VanDerWaalsContact O-CG2 3.28Å; F509-V512 WeakPolarHBondContact O-CG2 3.17Å; F509-S513 VanDerWaalsContact O-CB 3.29Å; F509-S513 WeakPolarHBondContact O-CB 3.22Å; F509-S513 PolarHBondContact O-N 3.27Å; F509-S513 PolarHBondContact O-OG 3.2Å; F509-F569 HydrophobicContact CB-CE1 4.28Å; F509-F569 HydrophobicContact CB-CZ 4.4Å; F509-F569 HydrophobicContact CD2-CE1 4.14Å; F509-F569 AromaticContact CD2-CZ 3.64Å; F509-F569 HydrophobicContact CD2-CZ 3.64Å; F509-F569 HydrophobicContact CE2-CZ 4.29Å; F509-F569 HydrophobicContact CG-CZ 4.27Å; F509-T573 HydrophobicContact CD2-CG2 3.58Å; F509-T573 HydrophobicContact CE2-CG2 3.84Å; F509-I608 HydrophobicContact CE2-CG2 4.07Å; F509-L611 HydrophobicContact CD1-CD2 4.07Å; F509-L611 HydrophobicContact CD1-CG 4.3Å; F509-L611 HydrophobicContact CD2-CD2 4.16Å; F509-L611 HydrophobicContact CE1-CD2 4.1Å; F509-L611 HydrophobicContact CE1-CG 3.97Å; F509-L611 HydrophobicContact CE2-CD2 4.17Å; F509-L611 HydrophobicContact CG-CD2 4.11Å; F509-L611 HydrophobicContact CZ-CB 4.46Å; F509-L611 HydrophobicContact CZ-CD2 4.14Å; F509-L611 HydrophobicContact CZ-CG 4.15Å; F509-A612 HydrophobicContact CZ-CB 4.09Å; F509-L615 HydrophobicContact CD1-CD1 3.77Å; F509-L615 HydrophobicContact CE1-CD1 3.61Å; F509-F621 HydrophobicContact CD2-CZ 4.42Å; F509-F621 HydrophobicContact CE1-CE2 4.35Å; F509-F621 HydrophobicContact CE1-CZ 4.19Å; F509-F621 HydrophobicContact CE2-CE1 4.04Å; F509-F621 HydrophobicContact CE2-CE2 4.31Å; F509-F621 AromaticContact CE2-CZ 3.52Å; F509-F621 HydrophobicContact CE2-CZ 3.52Å; F509-F621 HydrophobicContact CZ-CE1 4.26Å; F509-F621 AromaticContact CZ-CE2 3.71Å; F509-F621 HydrophobicContact CZ-CE2 3.71Å; F509-F621 AromaticContact CZ-CZ 3.38Å; F509-F621 HydrophobicContact CZ-CZ 3.38Å
510	L	97	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-45.1	177.3	-61.9	179.7	0	0	0	111.6	V263 L506 M507 S513 G514 L515 M518 W523 L615	V263-L510 HydrophobicContact CG1-CB 4.2Å; V263-L510 HydrophobicContact CG1-CD1 4.02Å; V263-L510 HydrophobicContact CG2-CB 4.02Å; L506-L510 HydrophobicContact CD1-CD2 4.34Å; L506-L510 HydrophobicContact CD1-CG 4.28Å; L506-L510 HydrophobicContact CG-CD1 4.34Å; L506-L510 HydrophobicContact CG-CG 4.43Å; L506-L510 VanDerWaalsContact O-CG 3.29Å; L506-L510 WeakPolarHBondContact O-CG 3.5Å; L506-L510 PolarHBondContact O-N 2.97Å; M507-L510 PolarHBondContact O-N 2.76Å; L510-S513 CarbonylContact O-C 3.58Å; L510-S513 PolarHBondContact O-N 3.06Å; L510-G514 PolarHBondContact O-N 3.39Å; L510-L515 HydrophobicContact CB-CB 4.24Å; L510-L515 HydrophobicContact CB-CD1 4.47Å; L510-L515 HydrophobicContact CD2-CD1 3.67Å; L510-L515 WeakPolarHBondContact O-CB 3.39Å; L510-L515 PolarHBondContact O-N 3.2Å; L510-M518 HydrophobicContact CD1-CB 4.42Å; L510-M518 HydrophobicContact CD1-CE 3.52Å; L510-M518 HydrophobicContact CD1-SD 3.8Å; L510-M518 HydrophobicContact CD2-CE 3.28Å; L510-M518 HydrophobicContact CD2-SD 4.49Å; L510-M518 HydrophobicContact CG-CE 4.02Å; L510-W523 HydrophobicContact CD1-CE3 3.89Å; L510-W523 HydrophobicContact CD1-CZ3 3.76Å; L510-L615 HydrophobicContact CD2-CD1 3.49Å; L510-L615 VanDerWaalsContact CD2-CD1 3.49Å; L510-L615 HydrophobicContact CD2-CD2 3.8Å; L510-L615 HydrophobicContact CD2-CG 4.28Å
511	F	95.7	Very high	96.1	Very high	29 Å²	29	28.6 Å²	28.6	13%	0.127	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-49.8	179.4	170.4	-119.3	0	0	0	112.1	P262 V263 L488 Q491 L497 L500 M507 A508 S513 G514	P262-F511 HydrophobicContact CB-CB 4.14Å; P262-F511 HydrophobicContact CB-CD2 3.46Å; P262-F511 VanDerWaalsContact CB-CD2 3.46Å; P262-F511 HydrophobicContact CB-CE2 3.99Å; P262-F511 HydrophobicContact CB-CG 3.78Å; P262-F511 HydrophobicContact CG-CB 3.87Å; P262-F511 HydrophobicContact CG-CD1 4.4Å; P262-F511 HydrophobicContact CG-CD2 4.06Å; P262-F511 HydrophobicContact CG-CG 3.83Å; V263-F511 HydrophobicContact CG2-CB 3.94Å; L488-F511 HydrophobicContact CD2-CE1 4.07Å; L488-F511 HydrophobicContact CD2-CZ 3.9Å; Q491-F511 HydrophobicContact CB-CZ 4.24Å; Q491-F511 HydrophobicContact CG-CZ 4.38Å; L497-F511 HydrophobicContact CD1-CD1 3.87Å; L497-F511 HydrophobicContact CD1-CE1 4.24Å; L500-F511 HydrophobicContact CD2-CD1 4.42Å; M507-F511 WeakPolarHBondContact O-CB 3.49Å; M507-F511 PolarHBondContact O-N 3.46Å; A508-F511 PolarHBondContact O-N 3.15Å; F511-S513 PolarHBondContact O-N 3.44Å; F511-G514 PolarHBondContact O-N 3.06Å
512	V	95.6	Very high	96.1	Very high	10 Å²	10	31.5 Å²	31.5	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-28.5	178.4	-60.6	0	0	0	0	112.2	L497 F501 A508 F509 G514 T573 H577 F580	L497-V512 HydrophobicContact CD1-CG1 3.65Å; L497-V512 HydrophobicContact CD2-CG1 3.5Å; L497-V512 VanDerWaalsContact CD2-CG1 3.5Å; L497-V512 HydrophobicContact CG-CG1 4.19Å; F501-V512 HydrophobicContact CE2-CG1 4.25Å; F501-V512 HydrophobicContact CZ-CG2 4.33Å; A508-V512 WeakPolarHBondContact O-CG2 3.47Å; A508-V512 PolarHBondContact O-N 2.91Å; F509-V512 VanDerWaalsContact O-CG2 3.28Å; F509-V512 WeakPolarHBondContact O-CG2 3.17Å; V512-G514 PolarHBondContact O-N 2.9Å; V512-T573 HydrophobicContact CG2-CG2 4.25Å; V512-H577 PolarHBondContact O-NE2 3.32Å; V512-F580 HydrophobicContact CB-CE2 4.46Å; V512-F580 HydrophobicContact CG1-CE2 4.48Å; V512-F580 HydrophobicContact CG1-CZ 4.12Å
513	S	95.9	Very high	96	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.063	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.6	175.3	-53	0	0	0	0	113.8	F509 L510 F511	F509-S513 VanDerWaalsContact O-CB 3.29Å; F509-S513 WeakPolarHBondContact O-CB 3.22Å; F509-S513 PolarHBondContact O-N 3.27Å; F509-S513 PolarHBondContact O-OG 3.2Å; L510-S513 CarbonylContact O-C 3.58Å; L510-S513 PolarHBondContact O-N 3.06Å; F511-S513 PolarHBondContact O-N 3.44Å
514	G	94.5	Very high	95.9	Very high	67 Å²	67	36.1 Å²	36.1	69%	0.691	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	14.7	176	0	0	0	0	0	115.2	L510 F511 V512	L510-G514 PolarHBondContact O-N 3.39Å; F511-G514 PolarHBondContact O-N 3.06Å; V512-G514 PolarHBondContact O-N 2.9Å
515	L	95.6	Very high	95.9	Very high	48 Å²	48	41.9 Å²	41.9	25%	0.251	24%	0.235	S	C	.	.			trans	-92.2	131.6	178.1	-60.4	172.9	0	0	0	110.5	V263 L510 L615 V617	V263-L515 VanDerWaalsContact CG2-O 3.27Å; V263-L515 WeakPolarHBondContact CG2-O 3.09Å; L510-L515 HydrophobicContact CB-CB 4.24Å; L510-L515 HydrophobicContact CB-CD1 4.47Å; L510-L515 HydrophobicContact CD2-CD1 3.67Å; L510-L515 WeakPolarHBondContact O-CB 3.39Å; L510-L515 PolarHBondContact O-N 3.2Å; L515-L615 HydrophobicContact CD1-CD2 4.5Å; L515-V617 HydrophobicContact CD1-CG1 4.1Å; L515-V617 HydrophobicContact CD2-CG1 4.16Å; L515-V617 HydrophobicContact CG-CG1 4.16Å
516	S	93.6	Very high	95.9	Very high	81 Å²	81	41.6 Å²	41.6	57%	0.566	23%	0.233	S	C	*	.			trans	-104.4	-13.2	177.1	60.2	0	0	0	0	113.7	V263 M264	V263-S516 WeakPolarHBondContact CA-O 3.47Å; M264-S516 PolarHBondContact N-O 2.97Å
517	S	94.7	Very high	95.8	Very high	53 Å²	53	43.9 Å²	43.9	37%	0.371	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	160.9	176.4	65.6	0	0	0	0	112.7	M264	M264-S517 CarbonylContact O-C 3.56Å; M264-S517 WeakPolarHBondContact O-CA 3.47Å
518	M	94.8	Very high	95.8	Very high	11 Å²	11	48 Å²	48	5%	0.054	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	144.5	-178.5	176.5	172.1	-73.9	0	0	112.4	M264 V265 L266 L510 L522 W523 L615	M264-M518 PolarHBondContact O-N 2.72Å; V265-M518 CarbonylContact C-O 3.58Å; V265-M518 WeakPolarHBondContact CA-O 3.22Å; L266-M518 PolarHBondContact N-O 3.25Å; L510-M518 HydrophobicContact CD1-CB 4.42Å; L510-M518 HydrophobicContact CD1-CE 3.52Å; L510-M518 HydrophobicContact CD1-SD 3.8Å; L510-M518 HydrophobicContact CD2-CE 3.28Å; L510-M518 HydrophobicContact CD2-SD 4.49Å; L510-M518 HydrophobicContact CG-CE 4.02Å; M518-L522 HydrophobicContact CE-CD2 4.17Å; M518-L522 HydrophobicContact CE-CG 4.27Å; M518-L522 HydrophobicContact CG-CB 4.23Å; M518-L522 HydrophobicContact CG-CD2 4.48Å; M518-L522 HydrophobicContact CG-CG 4.48Å; M518-L522 HydrophobicContact SD-CB 4.4Å; M518-L522 HydrophobicContact SD-CG 4.28Å; M518-W523 HydrophobicContact CG-CB 4.14Å; M518-W523 WeakPolarHBondContact SD-CA 3.31Å; M518-W523 HydrophobicContact SD-CB 3.67Å; M518-W523 HydrophobicContact SD-CE3 4Å; M518-W523 PolarHBondContact SD-N 2.73Å; M518-W523 VanDerWaalsContact SD-N 3.43Å; M518-L615 HydrophobicContact CE-CD2 3.13Å
519	R	96	Very high	95.8	Very high	113 Å²	113	50.1 Å²	50.1	43%	0.426	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.6	170.4	-66.3	-67.1	-178	-173.4	-3.6	112.1	L266 N267 N270 G521 L522 W523	L266-R519 CarbonylContact O-C 3.54Å; L266-R519 WeakPolarHBondContact O-CA 3.39Å; N267-R519 PolarHBondContact O-NH1 3.24Å; N270-R519 VanDerWaalsContact OD1-CZ 3.3Å; N270-R519 PolarHBondContact OD1-NH1 3.19Å; N270-R519 PolarHBondContact OD1-NH2 3.47Å; R519-G521 VanDerWaalsContact C-N 3.33Å; R519-G521 PolarHBondContact O-N 3.08Å; R519-L522 PolarHBondContact O-N 2.82Å; R519-W523 PolarHBondContact O-N 3.14Å
520	R	95.2	Very high	95.7	Very high	110 Å²	110	50.6 Å²	50.6	42%	0.415	27%	0.273	S	S	.	.	H	α-helix	trans	-52.4	-44.6	-178.4	-178.6	178.5	171.6	173.7	-1	113.6	V265 L266 N267 V273 L522 W523 E524	V265-R520 HydrophobicContact CG1-CB 4.41Å; L266-R520 WeakPolarHBondContact O-CB 3.44Å; L266-R520 PolarHBondContact O-N 3.49Å; N267-R520 WeakPolarHBondContact OD1-CD 3.48Å; N267-R520 PolarHBondContact OD1-NH1 3.36Å; V273-R520 HydrophobicContact CG2-CB 4.24Å; V273-R520 HydrophobicContact CG2-CG 4.33Å; R520-L522 VanDerWaalsContact C-N 3.32Å; R520-L522 PolarHBondContact O-N 3.3Å; R520-W523 WeakPolarHBondContact O-CB 3.33Å; R520-W523 PolarHBondContact O-N 3.43Å; R520-E524 HydrophobicContact CG-CG 4.42Å; R520-E524 IonicContact CZ-OE1 2.88Å; R520-E524 IonicContact NE-OE1 3.83Å; R520-E524 PolarHBondContact NE-OE1 3.37Å; R520-E524 IonicContact NH2-OE1 3.23Å; R520-E524 PolarHBondContact NH2-OE1 3.08Å; R520-E524 WeakPolarHBondContact O-CG 3.42Å; R520-E524 PolarHBondContact O-N 3.48Å
521	G	95.4	Very high	95.5	Very high	49 Å²	49	55.5 Å²	55.5	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-61.7	-39.2	179.3	0	0	0	0	0	113.1	R519 K525	R519-G521 VanDerWaalsContact C-N 3.33Å; R519-G521 PolarHBondContact O-N 3.08Å; G521-K525 PolarHBondContact O-N 3.48Å; G521-K525 VanDerWaalsContact O-N 3.16Å
522	L	96.3	Very high	95.5	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.325	31%	0.305	S	S	.	.	H	α-helix	trans	-70.7	-39.4	175.3	-173.8	59.1	0	0	0	111.4	M518 R519 R520 E524 K525 C526 I614 L615	M518-L522 HydrophobicContact CE-CD2 4.17Å; M518-L522 HydrophobicContact CE-CG 4.27Å; M518-L522 HydrophobicContact CG-CB 4.23Å; M518-L522 HydrophobicContact CG-CD2 4.48Å; M518-L522 HydrophobicContact CG-CG 4.48Å; M518-L522 HydrophobicContact SD-CB 4.4Å; M518-L522 HydrophobicContact SD-CG 4.28Å; R519-L522 PolarHBondContact O-N 2.82Å; R520-L522 VanDerWaalsContact C-N 3.32Å; R520-L522 PolarHBondContact O-N 3.3Å; L522-E524 PolarHBondContact O-N 3.3Å; L522-K525 HydrophobicContact CD1-CD 4.45Å; L522-K525 WeakPolarHBondContact O-CB 3.37Å; L522-K525 PolarHBondContact O-N 3Å; L522-C526 WeakPolarHBondContact O-CB 3.27Å; L522-C526 PolarHBondContact O-N 3.45Å; L522-C526 PolarHBondContact O-SG 2.73Å; L522-C526 VanDerWaalsContact O-SG 3.39Å; L522-I614 HydrophobicContact CD1-CG2 3.8Å; L522-L615 HydrophobicContact CD2-CD2 4.13Å; L522-L615 HydrophobicContact CG-CD2 4.3Å
523	W	96.1	Very high	95.6	Very high	8 Å²	8	58 Å²	58	3%	0.03	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-47.9	174.2	171.5	-91.5	0	0	0	112.1	V265 T275 L506 M507 L510 M518 R519 R520 K525 C526 Q527	V265-W523 HydrophobicContact CG1-CB 3.89Å; V265-W523 HydrophobicContact CG1-CD2 4.29Å; V265-W523 HydrophobicContact CG1-CG 3.86Å; V265-W523 HydrophobicContact CG2-CD2 3.61Å; V265-W523 HydrophobicContact CG2-CE3 3.54Å; V265-W523 HydrophobicContact CG2-CG 4.09Å; V265-W523 HydrophobicContact CG2-CH2 4.35Å; V265-W523 HydrophobicContact CG2-CZ2 4.4Å; V265-W523 HydrophobicContact CG2-CZ3 3.93Å; T275-W523 HydrophobicContact CG2-CZ2 3.88Å; L506-W523 HydrophobicContact CB-CH2 4.08Å; L506-W523 HydrophobicContact CB-CZ3 4.12Å; L506-W523 HydrophobicContact CD2-CD2 3.8Å; L506-W523 HydrophobicContact CD2-CE3 3.53Å; L506-W523 HydrophobicContact CD2-CH2 3.99Å; L506-W523 HydrophobicContact CD2-CZ2 4.25Å; L506-W523 HydrophobicContact CD2-CZ3 3.64Å; L506-W523 HydrophobicContact CG-CE3 3.97Å; L506-W523 HydrophobicContact CG-CH2 4.08Å; L506-W523 HydrophobicContact CG-CZ3 3.64Å; M507-W523 HydrophobicContact CB-CH2 4.22Å; M507-W523 HydrophobicContact CB-CZ3 4.49Å; L510-W523 HydrophobicContact CD1-CE3 3.89Å; L510-W523 HydrophobicContact CD1-CZ3 3.76Å; M518-W523 HydrophobicContact CG-CB 4.14Å; M518-W523 WeakPolarHBondContact SD-CA 3.31Å; M518-W523 HydrophobicContact SD-CB 3.67Å; M518-W523 HydrophobicContact SD-CE3 4Å; M518-W523 PolarHBondContact SD-N 2.73Å; M518-W523 VanDerWaalsContact SD-N 3.43Å; R519-W523 PolarHBondContact O-N 3.14Å; R520-W523 WeakPolarHBondContact O-CB 3.33Å; R520-W523 PolarHBondContact O-N 3.43Å; W523-K525 PolarHBondContact O-N 2.81Å; W523-C526 PolarHBondContact O-N 3.42Å; W523-Q527 HydrophobicContact CD2-CG 4.5Å; W523-Q527 VanDerWaalsContact CE2-NE2 3.25Å; W523-Q527 HydrophobicContact CZ2-CG 4.31Å; W523-Q527 WeakPolarHBondContact O-CB 3.44Å; W523-Q527 WeakPolarHBondContact O-CG 3.38Å; W523-Q527 PolarHBondContact O-N 2.88Å
524	E	95.4	Very high	95.5	Very high	92 Å²	92	58.2 Å²	58.2	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-41.8	178.2	-72.1	173.2	-178.8	0	0	111.6	R520 L522 Q527 E528	R520-E524 HydrophobicContact CG-CG 4.42Å; R520-E524 IonicContact CZ-OE1 2.88Å; R520-E524 IonicContact NE-OE1 3.83Å; R520-E524 PolarHBondContact NE-OE1 3.37Å; R520-E524 IonicContact NH2-OE1 3.23Å; R520-E524 PolarHBondContact NH2-OE1 3.08Å; R520-E524 WeakPolarHBondContact O-CG 3.42Å; R520-E524 PolarHBondContact O-N 3.48Å; L522-E524 PolarHBondContact O-N 3.3Å; E524-Q527 PolarHBondContact O-N 3.18Å; E524-E528 PolarHBondContact O-N 3.24Å
525	K	97.2	Very high	95.5	Very high	126 Å²	126	60.7 Å²	60.7	55%	0.548	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-47.6	174	-176.5	-177.1	177.7	-174.8	0	111.9	G521 L522 W523 E528 Y529 I614	G521-K525 PolarHBondContact O-N 3.48Å; G521-K525 VanDerWaalsContact O-N 3.16Å; L522-K525 HydrophobicContact CD1-CD 4.45Å; L522-K525 WeakPolarHBondContact O-CB 3.37Å; L522-K525 PolarHBondContact O-N 3Å; W523-K525 PolarHBondContact O-N 2.81Å; K525-E528 PolarHBondContact O-N 3.29Å; K525-Y529 PolarHBondContact O-N 2.74Å; K525-I614 HydrophobicContact CD-CG2 4.16Å
526	C	97.4	Very high	95.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-67.5	-36.7	178.4	-71.6	0	0	0	0	112.4	L506 L522 W523 Y529 L530 L611 L615	L506-C526 HydrophobicContact CD1-CB 3.77Å; L506-C526 HydrophobicContact CD2-CB 3.77Å; L506-C526 HydrophobicContact CG-CB 4.44Å; L522-C526 WeakPolarHBondContact O-CB 3.27Å; L522-C526 PolarHBondContact O-N 3.45Å; L522-C526 PolarHBondContact O-SG 2.73Å; L522-C526 VanDerWaalsContact O-SG 3.39Å; W523-C526 PolarHBondContact O-N 3.42Å; C526-Y529 PolarHBondContact O-N 2.92Å; C526-L530 WeakPolarHBondContact O-CB 3.1Å; C526-L530 PolarHBondContact O-N 2.86Å; C526-L611 HydrophobicContact CB-CD1 3.96Å; C526-L615 VanDerWaalsContact SG-CD2 3.55Å
527	Q	94.6	Very high	95.5	Very high	49 Å²	49	56 Å²	56	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-44.6	173.2	-83.3	-154.4	-3.5	0	0	111.7	L506 W523 E524 Y529 L530 R531	L506-Q527 HydrophobicContact CD2-CB 4.39Å; L506-Q527 HydrophobicContact CD2-CG 3.59Å; W523-Q527 HydrophobicContact CD2-CG 4.5Å; W523-Q527 VanDerWaalsContact CE2-NE2 3.25Å; W523-Q527 HydrophobicContact CZ2-CG 4.31Å; W523-Q527 WeakPolarHBondContact O-CB 3.44Å; W523-Q527 WeakPolarHBondContact O-CG 3.38Å; W523-Q527 PolarHBondContact O-N 2.88Å; E524-Q527 PolarHBondContact O-N 3.18Å; Q527-Y529 VanDerWaalsContact C-N 3.32Å; Q527-Y529 PolarHBondContact O-N 3.23Å; Q527-L530 PolarHBondContact O-N 3.46Å; Q527-R531 WeakPolarHBondContact O-CG 3.4Å; Q527-R531 PolarHBondContact O-N 2.92Å
528	E	94.8	Very high	95.5	Very high	92 Å²	92	53.9 Å²	53.9	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-41.5	177.5	-175.6	54.1	-146	0	0	111.5	E524 K525 L530 R531 K532 R535	E524-E528 PolarHBondContact O-N 3.24Å; K525-E528 PolarHBondContact O-N 3.29Å; E528-L530 VanDerWaalsContact C-N 3.33Å; E528-L530 PolarHBondContact O-N 3.02Å; E528-R531 WeakPolarHBondContact O-CB 3.23Å; E528-R531 PolarHBondContact O-N 3.41Å; E528-R531 IonicContact OE2-CZ 3.33Å; E528-R531 IonicContact OE2-NH1 2.87Å; E528-R531 PolarHBondContact OE2-NH1 3.03Å; E528-K532 PolarHBondContact O-N 3.25Å; E528-R535 IonicContact OE1-NH2 3.72Å
529	Y	97.6	Very high	95.3	Very high	43 Å²	43	57.4 Å²	57.4	17%	0.169	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-42.4	174.2	-163.9	-100	0	0	0	111.8	K525 C526 Q527 R531 K532 I533 H607 E610 L611 I614	K525-Y529 PolarHBondContact O-N 2.74Å; C526-Y529 PolarHBondContact O-N 2.92Å; Q527-Y529 VanDerWaalsContact C-N 3.32Å; Q527-Y529 PolarHBondContact O-N 3.23Å; Y529-R531 VanDerWaalsContact C-N 3.32Å; Y529-R531 PolarHBondContact O-N 2.92Å; Y529-K532 WeakPolarHBondContact O-CA 3.37Å; Y529-K532 VanDerWaalsContact O-CB 3.24Å; Y529-K532 WeakPolarHBondContact O-CB 3.38Å; Y529-K532 PolarHBondContact O-N 3.42Å; Y529-I533 HydrophobicContact CD1-CD1 3.88Å; Y529-I533 HydrophobicContact CD1-CG1 4.18Å; Y529-I533 HydrophobicContact CE1-CD1 3.84Å; Y529-I533 HydrophobicContact CE1-CG1 4.07Å; Y529-I533 WeakPolarHBondContact O-CG1 3.42Å; Y529-I533 PolarHBondContact O-N 3.28Å; Y529-H607 AromaticContact CE1-ND1 3.86Å; Y529-H607 WeakPolarHBondContact CE1-O 3.37Å; Y529-H607 AromaticContact CZ-ND1 3.5Å; Y529-H607 PolarHBondContact OH-ND1 3.44Å; Y529-E610 HydrophobicContact CE1-CB 4.17Å; Y529-E610 HydrophobicContact CE1-CG 4.18Å; Y529-E610 HydrophobicContact CE2-CG 4.05Å; Y529-E610 WeakPolarHBondContact OH-CB 3.33Å; Y529-E610 WeakPolarHBondContact OH-CG 3.48Å; Y529-L611 HydrophobicContact CD1-CB 4.03Å; Y529-L611 HydrophobicContact CD1-CD1 4.18Å; Y529-L611 HydrophobicContact CE1-CB 4.14Å; Y529-I614 HydrophobicContact CD1-CD1 4.25Å; Y529-I614 HydrophobicContact CD2-CD1 4.14Å; Y529-I614 HydrophobicContact CG-CD1 3.97Å
530	L	96	Very high	95.2	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-33.7	175.7	-173.8	67	0	0	0	112.7	P505 L506 C526 Q527 E528 K532 I533 N534 F569	P505-L530 HydrophobicContact CB-CD2 4.07Å; P505-L530 HydrophobicContact CG-CD2 3.56Å; L506-L530 HydrophobicContact CB-CD2 3.93Å; C526-L530 WeakPolarHBondContact O-CB 3.1Å; C526-L530 PolarHBondContact O-N 2.86Å; Q527-L530 PolarHBondContact O-N 3.46Å; E528-L530 VanDerWaalsContact C-N 3.33Å; E528-L530 PolarHBondContact O-N 3.02Å; L530-K532 VanDerWaalsContact C-N 3.28Å; L530-K532 PolarHBondContact O-N 3.33Å; L530-I533 HydrophobicContact CD1-CB 4.44Å; L530-I533 HydrophobicContact CD1-CD1 4.32Å; L530-I533 PolarHBondContact O-N 3.08Å; L530-N534 VanDerWaalsContact O-CG 3.3Å; L530-N534 PolarHBondContact O-N 3.45Å; L530-N534 PolarHBondContact O-ND2 3.16Å; L530-F569 HydrophobicContact CD1-CD1 4.13Å; L530-F569 HydrophobicContact CD1-CD2 4.02Å; L530-F569 HydrophobicContact CD1-CE1 3.83Å; L530-F569 HydrophobicContact CD1-CE2 3.72Å; L530-F569 HydrophobicContact CD1-CG 4.21Å; L530-F569 HydrophobicContact CD1-CZ 3.61Å
531	R	94	Very high	95	Very high	104 Å²	104	48.7 Å²	48.7	39%	0.392	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-36.7	171.3	-69.3	179.5	-162.9	103	10.7	111.6	Q527 E528 Y529 R535	Q527-R531 WeakPolarHBondContact O-CG 3.4Å; Q527-R531 PolarHBondContact O-N 2.92Å; E528-R531 WeakPolarHBondContact O-CB 3.23Å; E528-R531 PolarHBondContact O-N 3.41Å; E528-R531 IonicContact OE2-CZ 3.33Å; E528-R531 IonicContact OE2-NH1 2.87Å; E528-R531 PolarHBondContact OE2-NH1 3.03Å; Y529-R531 VanDerWaalsContact C-N 3.32Å; Y529-R531 PolarHBondContact O-N 2.92Å; R531-R535 WeakPolarHBondContact O-CG 3.41Å; R531-R535 PolarHBondContact O-N 3.32Å; R531-R535 VanDerWaalsContact O-N 3.16Å; R531-R535 PolarHBondContact O-NE 2.87Å
532	K	95	Very high	94.7	Very high	91 Å²	91	47.4 Å²	47.4	40%	0.396	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-50.8	170.3	-175.8	-175.1	174.9	-179.5	0	110.9	E528 Y529 L530 N534 R535 D536	E528-K532 PolarHBondContact O-N 3.25Å; Y529-K532 WeakPolarHBondContact O-CA 3.37Å; Y529-K532 VanDerWaalsContact O-CB 3.24Å; Y529-K532 WeakPolarHBondContact O-CB 3.38Å; Y529-K532 PolarHBondContact O-N 3.42Å; L530-K532 VanDerWaalsContact C-N 3.28Å; L530-K532 PolarHBondContact O-N 3.33Å; K532-N534 VanDerWaalsContact C-N 3.28Å; K532-N534 PolarHBondContact O-N 2.98Å; K532-R535 WeakPolarHBondContact O-CB 3.46Å; K532-R535 PolarHBondContact O-N 3.07Å; K532-D536 PolarHBondContact O-N 3.13Å
533	I	96.6	Very high	94.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-54.5	-45.2	177.3	-59.3	179.5	0	0	0	111.3	Y529 L530 R535 D536 I537 F569 L604 H607 L611	Y529-I533 HydrophobicContact CD1-CD1 3.88Å; Y529-I533 HydrophobicContact CD1-CG1 4.18Å; Y529-I533 HydrophobicContact CE1-CD1 3.84Å; Y529-I533 HydrophobicContact CE1-CG1 4.07Å; Y529-I533 WeakPolarHBondContact O-CG1 3.42Å; Y529-I533 PolarHBondContact O-N 3.28Å; L530-I533 HydrophobicContact CD1-CB 4.44Å; L530-I533 HydrophobicContact CD1-CD1 4.32Å; L530-I533 PolarHBondContact O-N 3.08Å; I533-R535 VanDerWaalsContact C-N 3.3Å; I533-R535 PolarHBondContact O-N 3.02Å; I533-D536 PolarHBondContact O-N 3.19Å; I533-I537 HydrophobicContact CG2-CD1 3.78Å; I533-I537 HydrophobicContact CG2-CG1 4.23Å; I533-I537 WeakPolarHBondContact O-CG1 3.46Å; I533-I537 PolarHBondContact O-N 3.21Å; I533-F569 HydrophobicContact CD1-CE2 4.07Å; I533-F569 HydrophobicContact CG2-CD2 3.91Å; I533-F569 HydrophobicContact CG2-CE2 4.33Å; I533-L604 HydrophobicContact CG2-CD1 3.67Å; I533-H607 HydrophobicContact CD1-CB 4.03Å; I533-H607 HydrophobicContact CG1-CB 3.89Å; I533-L611 HydrophobicContact CD1-CB 4.48Å; I533-L611 HydrophobicContact CD1-CD2 4.33Å
534	N	94.9	Very high	93.9	Very high	14 Å²	14	50.5 Å²	50.5	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-32.6	179.7	-70.4	-24.9	0	0	0	113.2	P285 L530 K532 A538	P285-N534 HydrophobicContact CG-CB 3.9Å; L530-N534 VanDerWaalsContact O-CG 3.3Å; L530-N534 PolarHBondContact O-N 3.45Å; L530-N534 PolarHBondContact O-ND2 3.16Å; K532-N534 VanDerWaalsContact C-N 3.28Å; K532-N534 PolarHBondContact O-N 2.98Å; N534-A538 WeakPolarHBondContact O-CB 3.32Å; N534-A538 PolarHBondContact O-N 2.93Å
535	R	93.7	Very high	93.6	Very high	119 Å²	119	58 Å²	58	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-67.5	-45.2	172.8	-75	-179.9	-74.1	-156.5	-6	110.9	P285 E528 R531 K532 I533 A538 Q539	P285-R535 HydrophobicContact CB-CG 4.43Å; E528-R535 IonicContact OE1-NH2 3.72Å; R531-R535 WeakPolarHBondContact O-CG 3.41Å; R531-R535 PolarHBondContact O-N 3.32Å; R531-R535 VanDerWaalsContact O-N 3.16Å; R531-R535 PolarHBondContact O-NE 2.87Å; K532-R535 WeakPolarHBondContact O-CB 3.46Å; K532-R535 PolarHBondContact O-N 3.07Å; I533-R535 VanDerWaalsContact C-N 3.3Å; I533-R535 PolarHBondContact O-N 3.02Å; R535-A538 WeakPolarHBondContact O-CB 3.41Å; R535-A538 PolarHBondContact O-N 3.46Å; R535-A538 VanDerWaalsContact O-N 3.15Å; R535-Q539 PolarHBondContact O-N 2.89Å
536	D	94.4	Very high	93.4	Very high	29 Å²	29	54.8 Å²	54.8	16%	0.155	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-40.3	179.8	-67	17.8	0	0	0	110.9	K532 I533 A538 Q539 L540 H603 H607	K532-D536 PolarHBondContact O-N 3.13Å; I533-D536 PolarHBondContact O-N 3.19Å; D536-A538 VanDerWaalsContact C-N 3.32Å; D536-A538 PolarHBondContact O-N 3.23Å; D536-Q539 WeakPolarHBondContact O-CB 3.47Å; D536-Q539 PolarHBondContact O-N 3.39Å; D536-L540 WeakPolarHBondContact O-CG 3.35Å; D536-L540 PolarHBondContact O-N 3.28Å; D536-H603 IonicContact OD2-CD2 3.28Å; D536-H603 IonicContact OD2-CE1 3.78Å; D536-H603 IonicContact OD2-NE2 3.1Å; D536-H603 PolarHBondContact OD2-NE2 3.37Å; D536-H607 IonicContact OD2-CD2 2.72Å; D536-H607 IonicContact OD2-CE1 3.67Å; D536-H607 IonicContact OD2-NE2 3.99Å; D536-H607 PolarHBondContact OD2-NE2 3.15Å
537	I	95.9	Very high	93.1	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-42.3	171.5	-68.7	171.5	0	0	0	111.1	I533 Q539 L540 L541 T565 I568 F569 L604	I533-I537 HydrophobicContact CG2-CD1 3.78Å; I533-I537 HydrophobicContact CG2-CG1 4.23Å; I533-I537 WeakPolarHBondContact O-CG1 3.46Å; I533-I537 PolarHBondContact O-N 3.21Å; I537-Q539 VanDerWaalsContact C-N 3.27Å; I537-Q539 PolarHBondContact O-N 3.5Å; I537-L540 PolarHBondContact O-N 3.35Å; I537-L541 HydrophobicContact CG2-CD1 4.47Å; I537-L541 PolarHBondContact O-N 3.08Å; I537-T565 HydrophobicContact CB-CG2 4.44Å; I537-T565 HydrophobicContact CG2-CG2 3.97Å; I537-I568 HydrophobicContact CD1-CB 4.39Å; I537-I568 HydrophobicContact CD1-CG2 4.07Å; I537-I568 HydrophobicContact CG1-CG2 4.14Å; I537-I568 HydrophobicContact CG2-CB 3.77Å; I537-I568 HydrophobicContact CG2-CD1 3.64Å; I537-I568 HydrophobicContact CG2-CG1 4.29Å; I537-I568 HydrophobicContact CG2-CG2 3.77Å; I537-F569 HydrophobicContact CD1-CB 3.9Å; I537-L604 HydrophobicContact CD1-CD1 3.88Å; I537-L604 HydrophobicContact CD1-CD2 4.41Å; I537-L604 HydrophobicContact CG1-CD1 3.83Å; I537-L604 HydrophobicContact CG1-CD2 4.26Å
538	A	93.6	Very high	93.1	Very high	8 Å²	8	56.5 Å²	56.5	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-40.8	176.6	0	0	0	0	0	111.2	P285 N534 R535 D536 L541 T542 F555 T565	P285-A538 HydrophobicContact CB-CB 3.9Å; N534-A538 WeakPolarHBondContact O-CB 3.32Å; N534-A538 PolarHBondContact O-N 2.93Å; R535-A538 WeakPolarHBondContact O-CB 3.41Å; R535-A538 PolarHBondContact O-N 3.46Å; R535-A538 VanDerWaalsContact O-N 3.15Å; D536-A538 VanDerWaalsContact C-N 3.32Å; D536-A538 PolarHBondContact O-N 3.23Å; A538-L541 PolarHBondContact O-N 2.96Å; A538-T542 WeakPolarHBondContact O-CB 3.49Å; A538-T542 VanDerWaalsContact O-CG2 3.28Å; A538-T542 WeakPolarHBondContact O-CG2 3.28Å; A538-T542 PolarHBondContact O-N 2.81Å; A538-T542 VanDerWaalsContact O-N 3.08Å; A538-T542 PolarHBondContact O-OG1 3.49Å; A538-F555 HydrophobicContact CB-CE1 4.15Å; A538-F555 HydrophobicContact CB-CZ 3.63Å; A538-T565 HydrophobicContact CB-CG2 4.32Å
539	Q	91.9	Very high	93	Very high	85 Å²	85	57.1 Å²	57.1	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-65.3	-42.6	175.5	-71.2	179	-23.4	0	0	112.7	E288 R535 D536 I537 L541 T542 H543	E288-Q539 PolarHBondContact OE1-NE2 3.4Å; R535-Q539 PolarHBondContact O-N 2.89Å; D536-Q539 WeakPolarHBondContact O-CB 3.47Å; D536-Q539 PolarHBondContact O-N 3.39Å; I537-Q539 VanDerWaalsContact C-N 3.27Å; I537-Q539 PolarHBondContact O-N 3.5Å; Q539-L541 VanDerWaalsContact C-N 3.29Å; Q539-L541 PolarHBondContact O-N 3.2Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.49Å; Q539-T542 PolarHBondContact O-N 3.48Å; Q539-T542 PolarHBondContact O-OG1 3.1Å; Q539-H543 WeakPolarHBondContact O-CB 3.25Å; Q539-H543 PolarHBondContact O-N 2.9Å; Q539-H543 PolarHBondContact O-ND1 3.21Å
540	L	92.2	Very high	92.8	Very high	39 Å²	39	55.3 Å²	55.3	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-56.9	-45.3	174.8	-69	176.1	0	0	0	111.2	D536 I537 T542 S544 N601	D536-L540 WeakPolarHBondContact O-CG 3.35Å; D536-L540 PolarHBondContact O-N 3.28Å; I537-L540 PolarHBondContact O-N 3.35Å; L540-T542 VanDerWaalsContact C-N 3.32Å; L540-T542 PolarHBondContact O-N 3.24Å; L540-S544 WeakPolarHBondContact O-CB 3.33Å; L540-S544 PolarHBondContact O-N 2.78Å; L540-N601 HydrophobicContact CD1-CB 4.07Å
541	L	91.6	Very high	92.8	Very high	2 Å²	2	55 Å²	55	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-38.8	178.4	-81.3	177.4	0	0	0	112.8	I537 A538 Q539 I547 L552 F555 L564 I568 L593	I537-L541 HydrophobicContact CG2-CD1 4.47Å; I537-L541 PolarHBondContact O-N 3.08Å; A538-L541 PolarHBondContact O-N 2.96Å; Q539-L541 VanDerWaalsContact C-N 3.29Å; Q539-L541 PolarHBondContact O-N 3.2Å; L541-I547 HydrophobicContact CB-CD1 4.46Å; L541-I547 HydrophobicContact CD2-CD1 3.65Å; L541-I547 WeakPolarHBondContact O-CD1 3.49Å; L541-L552 WeakPolarHBondContact O-CD2 3.25Å; L541-F555 HydrophobicContact CB-CE2 4.37Å; L541-F555 HydrophobicContact CD1-CD2 3.98Å; L541-F555 HydrophobicContact CD1-CE2 3.39Å; L541-F555 HydrophobicContact CD1-CZ 4.15Å; L541-L564 HydrophobicContact CD1-CB 4.32Å; L541-I568 HydrophobicContact CD1-CD1 3.61Å; L541-I568 HydrophobicContact CD2-CD1 3.51Å; L541-I568 HydrophobicContact CG-CD1 3.53Å; L541-L593 HydrophobicContact CD2-CD2 4.27Å
542	T	89.7	Confident	92.7	Very high	22 Å²	22	51.2 Å²	51.2	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-89.9	-23.8	-170.5	55.4	0	0	0	0	115	M291 A538 Q539 L540 L552 F555	M291-T542 HydrophobicContact CE-CG2 3.48Å; M291-T542 VanDerWaalsContact CE-CG2 3.48Å; M291-T542 HydrophobicContact SD-CG2 3.92Å; A538-T542 WeakPolarHBondContact O-CB 3.49Å; A538-T542 VanDerWaalsContact O-CG2 3.28Å; A538-T542 WeakPolarHBondContact O-CG2 3.28Å; A538-T542 PolarHBondContact O-N 2.81Å; A538-T542 VanDerWaalsContact O-N 3.08Å; A538-T542 PolarHBondContact O-OG1 3.49Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.49Å; Q539-T542 PolarHBondContact O-N 3.48Å; Q539-T542 PolarHBondContact O-OG1 3.1Å; L540-T542 VanDerWaalsContact C-N 3.32Å; L540-T542 PolarHBondContact O-N 3.24Å; T542-L552 HydrophobicContact CG2-CD2 4.48Å; T542-F555 HydrophobicContact CG2-CD1 3.89Å; T542-F555 HydrophobicContact CG2-CE1 3.7Å
543	H	88.5	Confident	92.6	Very high	118 Å²	118	50.1 Å²	50.1	55%	0.546	24%	0.236	S	C	.	.	H	α-helix	trans	-93.8	-20.8	-178.5	-71.6	75.7	0	0	0	113.2	E288 Q539	E288-H543 IonicContact OE1-CE1 3.88Å; E288-H543 IonicContact OE2-CE1 2.65Å; E288-H543 PolarHBondContact OE2-CE1 2.83Å; E288-H543 IonicContact OE2-NE2 3.9Å; Q539-H543 WeakPolarHBondContact O-CB 3.25Å; Q539-H543 PolarHBondContact O-N 2.9Å; Q539-H543 PolarHBondContact O-ND1 3.21Å
544	S	87.8	Confident	92.6	Very high	16 Å²	16	50.1 Å²	50.1	11%	0.112	24%	0.236	C	C	.	.			trans	-70.9	134.1	178.6	174.8	0	0	0	0	111.3	L540 S546 E597	L540-S544 WeakPolarHBondContact O-CB 3.33Å; L540-S544 PolarHBondContact O-N 2.78Å; S544-S546 PolarHBondContact OG-N 3.28Å; S544-S546 PolarHBondContact OG-OG 2.84Å; S544-E597 WeakPolarHBondContact CB-OE2 3.48Å; S544-E597 PolarHBondContact OG-OE2 3.4Å
545	R	88.4	Confident	92.5	Very high	250 Å²	250	49.6 Å²	49.6	94%	0.943	23%	0.233	S	C	*	.	S	Bend	trans	-89.8	-11.1	174.3	-63.4	-176	179.8	-179.2	0.2	113.1
546	S	92.3	Very high	92.3	Very high	58 Å²	58	44.9 Å²	44.9	41%	0.406	22%	0.221	S	C	.	.	S	Bend	trans	-91.5	-13.2	-178.9	60.3	0	0	0	0	112.6	S544 P594 E597	S544-S546 PolarHBondContact OG-N 3.28Å; S544-S546 PolarHBondContact OG-OG 2.84Å; S546-P594 WeakPolarHBondContact OG-CG 3.44Å; S546-E597 PolarHBondContact OG-OE1 3.05Å; S546-E597 PolarHBondContact OG-OE2 3.17Å
547	I	92.7	Very high	92.3	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	22%	0.219	C	C	.	.	S	Bend	trans	-71.8	132	174.5	-68.5	176.9	0	0	0	110.4	L541 Q549 F551 P594 T598	L541-I547 HydrophobicContact CB-CD1 4.46Å; L541-I547 HydrophobicContact CD2-CD1 3.65Å; L541-I547 WeakPolarHBondContact O-CD1 3.49Å; I547-Q549 PolarHBondContact O-N 3.16Å; I547-F551 HydrophobicContact CG2-CB 3.85Å; I547-F551 HydrophobicContact CG2-CD2 4.08Å; I547-F551 HydrophobicContact CG2-CG 4.24Å; I547-P594 HydrophobicContact CG1-CG 4.18Å; I547-T598 HydrophobicContact CD1-CG2 3.86Å; I547-T598 HydrophobicContact CG1-CG2 4.4Å
548	D	93.7	Very high	92.2	Very high	76 Å²	76	45.3 Å²	45.3	41%	0.406	22%	0.223	S	C	.	.			trans	-60.7	135.7	178.3	-169	-67.6	0	0	0	111.4	A550 F551 P591	D548-A550 PolarHBondContact O-N 3.35Å; D548-A550 VanDerWaalsContact OD1-CB 3.27Å; D548-A550 WeakPolarHBondContact OD1-CB 3.37Å; D548-A550 PolarHBondContact OD1-N 3.35Å; D548-F551 HydrophobicContact CB-CD2 4.13Å; D548-F551 HydrophobicContact CB-CE2 4.48Å; D548-F551 PolarHBondContact O-N 2.64Å; D548-P591 HydrophobicContact CB-CB 3.85Å; D548-P591 HydrophobicContact CB-CG 3.87Å
549	Q	92.4	Very high	92.3	Very high	104 Å²	104	45.1 Å²	45.1	49%	0.486	22%	0.221	S	C	.	.	H	α-helix	trans	-56.1	-26.2	-177.6	-168.5	63.2	27.3	0	0	113.1	I547 F551 L552 Q553	I547-Q549 PolarHBondContact O-N 3.16Å; Q549-F551 VanDerWaalsContact C-N 3.27Å; Q549-F551 PolarHBondContact O-N 2.97Å; Q549-L552 PolarHBondContact O-N 3.04Å; Q549-Q553 HydrophobicContact CG-CG 4.37Å; Q549-Q553 WeakPolarHBondContact O-CG 3.49Å; Q549-Q553 PolarHBondContact O-N 3.36Å
550	A	94.1	Very high	92.5	Very high	6 Å²	6	41.1 Å²	41.1	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-56.8	-40.6	175.9	0	0	0	0	0	111.9	P474 V476 D548 L552 Q553 F554	P474-A550 HydrophobicContact CB-CB 4.04Å; V476-A550 HydrophobicContact CG2-CB 4.06Å; D548-A550 PolarHBondContact O-N 3.35Å; D548-A550 VanDerWaalsContact OD1-CB 3.27Å; D548-A550 WeakPolarHBondContact OD1-CB 3.37Å; D548-A550 PolarHBondContact OD1-N 3.35Å; A550-L552 PolarHBondContact O-N 2.92Å; A550-Q553 PolarHBondContact O-N 2.92Å; A550-F554 WeakPolarHBondContact O-CD2 3.16Å; A550-F554 PolarHBondContact O-N 3.16Å
551	F	95.1	Very high	92.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-46.9	176.3	-73.1	-80.5	0	0	0	111.4	V476 I547 D548 Q549 Q553 F554 F555 L564 P591 L593	V476-F551 HydrophobicContact CB-CE1 4.47Å; V476-F551 HydrophobicContact CG1-CD1 4.08Å; V476-F551 HydrophobicContact CG1-CE1 3.58Å; V476-F551 HydrophobicContact CG1-CZ 4.17Å; V476-F551 HydrophobicContact CG2-CD1 3.9Å; V476-F551 HydrophobicContact CG2-CD2 4.4Å; V476-F551 HydrophobicContact CG2-CE1 3.97Å; V476-F551 HydrophobicContact CG2-CE2 4.46Å; V476-F551 HydrophobicContact CG2-CG 4.13Å; V476-F551 HydrophobicContact CG2-CZ 4.24Å; I547-F551 HydrophobicContact CG2-CB 3.85Å; I547-F551 HydrophobicContact CG2-CD2 4.08Å; I547-F551 HydrophobicContact CG2-CG 4.24Å; D548-F551 HydrophobicContact CB-CD2 4.13Å; D548-F551 HydrophobicContact CB-CE2 4.48Å; D548-F551 PolarHBondContact O-N 2.64Å; Q549-F551 VanDerWaalsContact C-N 3.27Å; Q549-F551 PolarHBondContact O-N 2.97Å; F551-Q553 VanDerWaalsContact C-N 3.27Å; F551-Q553 PolarHBondContact O-N 2.87Å; F551-F554 PolarHBondContact O-N 3.4Å; F551-F555 WeakPolarHBondContact O-CB 3.11Å; F551-F555 PolarHBondContact O-N 3.41Å; F551-L564 HydrophobicContact CD1-CD1 4.46Å; F551-L564 HydrophobicContact CD1-CD2 3.68Å; F551-L564 HydrophobicContact CE1-CD2 3.91Å; F551-P591 HydrophobicContact CE2-CB 4.18Å; F551-P591 HydrophobicContact CE2-CG 4.39Å; F551-P591 WeakPolarHBondContact CE2-O 3.12Å; F551-P591 VanDerWaalsContact CZ-O 3.29Å; F551-P591 WeakPolarHBondContact CZ-O 3.34Å; F551-L593 HydrophobicContact CD1-CD2 4.16Å; F551-L593 HydrophobicContact CD2-CD2 3.96Å; F551-L593 HydrophobicContact CE1-CD1 4.48Å; F551-L593 HydrophobicContact CE1-CD2 3.91Å; F551-L593 HydrophobicContact CE1-CG 4.21Å; F551-L593 HydrophobicContact CE2-CD2 3.69Å; F551-L593 HydrophobicContact CE2-CG 4.22Å; F551-L593 HydrophobicContact CG-CD2 4.19Å; F551-L593 HydrophobicContact CZ-CD2 3.68Å; F551-L593 HydrophobicContact CZ-CG 3.84Å
552	L	92.9	Very high	92.8	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	20%	0.196	C	C	.	.	H	α-helix	trans	-65.1	-30.5	178.8	-62.1	-179.5	0	0	0	112.7	G294 L541 T542 Q549 A550	G294-L552 PolarHBondContact N-O 3.46Å; L541-L552 WeakPolarHBondContact O-CD2 3.25Å; T542-L552 HydrophobicContact CG2-CD2 4.48Å; Q549-L552 PolarHBondContact O-N 3.04Å; A550-L552 PolarHBondContact O-N 2.92Å
553	Q	93.3	Very high	93.2	Very high	67 Å²	67	39.2 Å²	39.2	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-68.1	-40.2	175.7	-75.5	178	-36	0	0	112.1	L296 P474 Q549 A550 F551	L296-Q553 HydrophobicContact CD1-CB 4.01Å; P474-Q553 HydrophobicContact CB-CB 4.47Å; Q549-Q553 HydrophobicContact CG-CG 4.37Å; Q549-Q553 WeakPolarHBondContact O-CG 3.49Å; Q549-Q553 PolarHBondContact O-N 3.36Å; A550-Q553 PolarHBondContact O-N 2.92Å; F551-Q553 VanDerWaalsContact C-N 3.27Å; F551-Q553 PolarHBondContact O-N 2.87Å
554	F	95.3	Very high	93.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-77.6	-25.3	175.5	-67.1	-61.6	0	0	0	113.3	L296 V385 P451 L452 F453 P474 V476 A550 F551 G556 D557 L560	L296-F554 HydrophobicContact CD1-CD1 3.83Å; L296-F554 HydrophobicContact CD1-CE1 3.87Å; V385-F554 HydrophobicContact CB-CE1 4.26Å; V385-F554 HydrophobicContact CG1-CD1 3.96Å; V385-F554 HydrophobicContact CG1-CE1 3.55Å; V385-F554 HydrophobicContact CG2-CD1 3.73Å; V385-F554 HydrophobicContact CG2-CE1 3.69Å; P451-F554 HydrophobicContact CB-CE1 3.94Å; P451-F554 HydrophobicContact CB-CZ 4.3Å; L452-F554 VanDerWaalsContact O-CZ 3.31Å; L452-F554 WeakPolarHBondContact O-CZ 3.25Å; F453-F554 HydrophobicContact CB-CE1 4.4Å; F453-F554 HydrophobicContact CD2-CB 4.07Å; F453-F554 HydrophobicContact CD2-CD1 4.03Å; F453-F554 AromaticContact CD2-CD2 3.8Å; F453-F554 HydrophobicContact CD2-CD2 3.8Å; F453-F554 HydrophobicContact CD2-CE1 4.42Å; F453-F554 HydrophobicContact CD2-CE2 4.21Å; F453-F554 AromaticContact CD2-CG 3.7Å; F453-F554 HydrophobicContact CD2-CG 3.7Å; F453-F554 HydrophobicContact CE2-CB 4.16Å; F453-F554 HydrophobicContact CE2-CD2 4.26Å; F453-F554 HydrophobicContact CE2-CG 4.22Å; P474-F554 HydrophobicContact CB-CE2 3.73Å; P474-F554 HydrophobicContact CB-CZ 3.78Å; P474-F554 HydrophobicContact CG-CZ 4.18Å; P474-F554 WeakPolarHBondContact O-CZ 3.33Å; V476-F554 HydrophobicContact CB-CD2 3.89Å; V476-F554 HydrophobicContact CB-CE2 3.88Å; V476-F554 HydrophobicContact CG2-CD2 3.57Å; V476-F554 HydrophobicContact CG2-CE2 3.73Å; A550-F554 WeakPolarHBondContact O-CD2 3.16Å; A550-F554 PolarHBondContact O-N 3.16Å; F551-F554 PolarHBondContact O-N 3.4Å; F554-G556 PolarHBondContact O-N 3.42Å; F554-G556 VanDerWaalsContact O-N 3.12Å; F554-D557 PolarHBondContact O-N 2.9Å; F554-L560 HydrophobicContact CB-CB 4.4Å; F554-L560 HydrophobicContact CB-CD1 3.96Å; F554-L560 HydrophobicContact CD1-CD1 3.68Å; F554-L560 HydrophobicContact CG-CD1 4.21Å; F554-L560 WeakPolarHBondContact O-CB 3.25Å
555	F	93.1	Very high	94.1	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.018	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.3	-176.3	-153.8	-104.5	0	0	0	114.5	L287 V293 A538 L541 T542 F551 D557 R561 L564 T565	L287-F555 HydrophobicContact CD2-CD1 3.83Å; L287-F555 HydrophobicContact CD2-CE1 4.03Å; V293-F555 HydrophobicContact CG1-CD1 4.47Å; A538-F555 HydrophobicContact CB-CE1 4.15Å; A538-F555 HydrophobicContact CB-CZ 3.63Å; L541-F555 HydrophobicContact CB-CE2 4.37Å; L541-F555 HydrophobicContact CD1-CD2 3.98Å; L541-F555 HydrophobicContact CD1-CE2 3.39Å; L541-F555 HydrophobicContact CD1-CZ 4.15Å; T542-F555 HydrophobicContact CG2-CD1 3.89Å; T542-F555 HydrophobicContact CG2-CE1 3.7Å; F551-F555 WeakPolarHBondContact O-CB 3.11Å; F551-F555 PolarHBondContact O-N 3.41Å; F555-D557 VanDerWaalsContact C-N 3.32Å; F555-D557 PolarHBondContact O-N 2.93Å; F555-R561 HydrophobicContact CD1-CG 4.25Å; F555-R561 HydrophobicContact CD2-CB 4.15Å; F555-R561 HydrophobicContact CD2-CG 4.12Å; F555-R561 VanDerWaalsContact CE1-CD 3.49Å; F555-R561 HydrophobicContact CE1-CG 3.88Å; F555-R561 HydrophobicContact CE2-CB 4.17Å; F555-R561 HydrophobicContact CE2-CG 3.7Å; F555-R561 HydrophobicContact CG-CB 4.39Å; F555-R561 HydrophobicContact CG-CG 4.36Å; F555-R561 HydrophobicContact CZ-CB 4.47Å; F555-R561 HydrophobicContact CZ-CG 3.57Å; F555-R561 WeakPolarHBondContact O-CB 3.28Å; F555-R561 WeakPolarHBondContact O-CD 3.48Å; F555-R561 PolarHBondContact O-NE 3Å; F555-R561 VanDerWaalsContact O-NE 3.08Å; F555-L564 HydrophobicContact CD2-CB 4.49Å; F555-L564 HydrophobicContact CD2-CD1 3.88Å; F555-L564 HydrophobicContact CE2-CB 4.49Å; F555-T565 HydrophobicContact CE2-CG2 4.27Å; F555-T565 HydrophobicContact CZ-CG2 4.36Å
556	G	90.1	Very high	94.5	Very high	19 Å²	19	22.1 Å²	22.1	20%	0.196	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-37.2	174.4	0	0	0	0	0	113.2	F554 R561	F554-G556 PolarHBondContact O-N 3.42Å; F554-G556 VanDerWaalsContact O-N 3.12Å; G556-R561 PolarHBondContact O-NH2 2.85Å
557	D	93.1	Very high	94.8	Very high	19 Å²	19	19.5 Å²	19.5	10%	0.102	10%	0.1	C	C	.	.	S	Bend	trans	-73.8	136	178.4	-175.9	-88.7	0	0	0	111.5	L298 F554 F555 F559 L560 R561	L298-D557 PolarHBondContact N-OD2 3.31Å; F554-D557 PolarHBondContact O-N 2.9Å; F555-D557 VanDerWaalsContact C-N 3.32Å; F555-D557 PolarHBondContact O-N 2.93Å; D557-F559 PolarHBondContact O-N 3.29Å; D557-F559 WeakPolarHBondContact OD1-CA 3.35Å; D557-F559 WeakPolarHBondContact OD1-CB 3.48Å; D557-F559 PolarHBondContact OD1-N 2.99Å; D557-L560 HydrophobicContact CB-CB 4.12Å; D557-L560 HydrophobicContact CB-CD1 4.01Å; D557-L560 HydrophobicContact CB-CG 4.03Å; D557-L560 PolarHBondContact OD1-N 3Å; D557-L560 VanDerWaalsContact OD1-N 3.08Å; D557-R561 WeakPolarHBondContact O-CB 3.33Å; D557-R561 PolarHBondContact O-N 3.18Å
558	E	93.6	Very high	95.1	Very high	20 Å²	20	19.2 Å²	19.2	9%	0.093	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-37.3	-176.1	-67.5	-176.4	124.6	0	0	113.3	L279 A284 R329 R353 L562	L279-E558 HydrophobicContact CD2-CB 3.68Å; A284-E558 HydrophobicContact CB-CB 4.03Å; A284-E558 HydrophobicContact CB-CG 4.27Å; R329-E558 IonicContact CZ-OE2 3.94Å; R329-E558 VanDerWaalsContact CZ-OE2 3.23Å; R329-E558 IonicContact NH1-OE2 2.91Å; R329-E558 PolarHBondContact NH1-OE2 2.9Å; R329-E558 IonicContact NH2-OE2 3.76Å; R329-E558 PolarHBondContact NH2-OE2 3.03Å; R353-E558 IonicContact CZ-OE1 3.37Å; R353-E558 IonicContact CZ-OE2 3.03Å; R353-E558 IonicContact NH1-OE1 3.94Å; R353-E558 PolarHBondContact NH1-OE1 3.39Å; R353-E558 IonicContact NH1-OE2 3.73Å; R353-E558 PolarHBondContact NH1-OE2 3.37Å; E558-L562 WeakPolarHBondContact O-CB 3.31Å; E558-L562 PolarHBondContact O-N 3.45Å; E558-L562 VanDerWaalsContact O-N 3.11Å
559	F	95.7	Very high	95.3	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.022	8%	0.079	C	C	.	.	H	α-helix	trans	-72.3	-47	179.4	-68	-74.9	0	0	0	110.7	L279 L298 A326 L327 R329 P356 D557 R561 L562 L563	L279-F559 HydrophobicContact CB-CD1 4.39Å; L279-F559 HydrophobicContact CB-CE1 3.81Å; L279-F559 HydrophobicContact CB-CZ 4.39Å; L279-F559 HydrophobicContact CD2-CD1 4.07Å; L279-F559 HydrophobicContact CD2-CD2 4.49Å; L279-F559 HydrophobicContact CD2-CE1 3.88Å; L279-F559 HydrophobicContact CD2-CE2 4.31Å; L279-F559 HydrophobicContact CD2-CG 4.4Å; L279-F559 HydrophobicContact CD2-CZ 4.03Å; L298-F559 HydrophobicContact CD2-CB 4.03Å; A326-F559 WeakPolarHBondContact O-CD1 3.47Å; L327-F559 VanDerWaalsContact C-CE1 3.49Å; L327-F559 HydrophobicContact CD2-CB 3.98Å; L327-F559 HydrophobicContact CD2-CD1 4.2Å; L327-F559 HydrophobicContact CD2-CG 4.26Å; R329-F559 HydrophobicContact CG-CE2 4.47Å; R329-F559 HydrophobicContact CG-CZ 3.79Å; P356-F559 VanDerWaalsContact CD-CE2 3.49Å; P356-F559 HydrophobicContact CG-CD2 4.42Å; P356-F559 HydrophobicContact CG-CE2 4.27Å; D557-F559 PolarHBondContact O-N 3.29Å; D557-F559 WeakPolarHBondContact OD1-CA 3.35Å; D557-F559 WeakPolarHBondContact OD1-CB 3.48Å; D557-F559 PolarHBondContact OD1-N 2.99Å; F559-R561 PolarHBondContact O-N 3.37Å; F559-L562 PolarHBondContact O-N 3.24Å; F559-L563 WeakPolarHBondContact O-CG 3.29Å; F559-L563 PolarHBondContact O-N 3.38Å
560	L	96.4	Very high	95.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.9	-41	179.7	-59.4	-178.8	0	0	0	111.7	L298 V385 L387 F453 F554 D557 L562 L563 L564	L298-L560 HydrophobicContact CB-CD1 4.49Å; L298-L560 HydrophobicContact CB-CG 4.35Å; L298-L560 HydrophobicContact CD1-CD2 4.39Å; L298-L560 HydrophobicContact CD2-CD2 4.1Å; L298-L560 HydrophobicContact CD2-CG 4.5Å; V385-L560 HydrophobicContact CB-CD1 4.21Å; V385-L560 HydrophobicContact CG1-CD1 3.98Å; V385-L560 HydrophobicContact CG2-CD1 3.99Å; L387-L560 HydrophobicContact CD1-CD2 3.81Å; F453-L560 HydrophobicContact CB-CD2 4.29Å; F453-L560 HydrophobicContact CD1-CD2 4.09Å; F453-L560 HydrophobicContact CD2-CD1 4.36Å; F453-L560 HydrophobicContact CD2-CD2 4.08Å; F453-L560 HydrophobicContact CE1-CD2 4.44Å; F453-L560 HydrophobicContact CE2-CD2 4.42Å; F453-L560 HydrophobicContact CG-CD2 3.89Å; F554-L560 HydrophobicContact CB-CB 4.4Å; F554-L560 HydrophobicContact CB-CD1 3.96Å; F554-L560 HydrophobicContact CD1-CD1 3.68Å; F554-L560 HydrophobicContact CG-CD1 4.21Å; F554-L560 WeakPolarHBondContact O-CB 3.25Å; D557-L560 HydrophobicContact CB-CB 4.12Å; D557-L560 HydrophobicContact CB-CD1 4.01Å; D557-L560 HydrophobicContact CB-CG 4.03Å; D557-L560 PolarHBondContact OD1-N 3Å; D557-L560 VanDerWaalsContact OD1-N 3.08Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-L562 PolarHBondContact O-N 3.39Å; L560-L563 HydrophobicContact CD2-CD1 4.47Å; L560-L563 PolarHBondContact O-N 2.71Å; L560-L564 WeakPolarHBondContact O-CB 3.37Å; L560-L564 VanDerWaalsContact O-CG 3.28Å; L560-L564 WeakPolarHBondContact O-CG 3.44Å; L560-L564 PolarHBondContact O-N 3.49Å
561	R	95.3	Very high	95.8	Very high	12 Å²	12	10.4 Å²	10.4	5%	0.045	5%	0.054	C	C	.	.	H	α-helix	trans	-58.1	-44.3	172.3	170.1	161.7	30.9	136.8	-3.5	112.5	P285 F555 G556 D557 F559 L564 T565	P285-R561 WeakPolarHBondContact O-CD 3.37Å; P285-R561 PolarHBondContact O-NH1 3.37Å; F555-R561 HydrophobicContact CD1-CG 4.25Å; F555-R561 HydrophobicContact CD2-CB 4.15Å; F555-R561 HydrophobicContact CD2-CG 4.12Å; F555-R561 VanDerWaalsContact CE1-CD 3.49Å; F555-R561 HydrophobicContact CE1-CG 3.88Å; F555-R561 HydrophobicContact CE2-CB 4.17Å; F555-R561 HydrophobicContact CE2-CG 3.7Å; F555-R561 HydrophobicContact CG-CB 4.39Å; F555-R561 HydrophobicContact CG-CG 4.36Å; F555-R561 HydrophobicContact CZ-CB 4.47Å; F555-R561 HydrophobicContact CZ-CG 3.57Å; F555-R561 WeakPolarHBondContact O-CB 3.28Å; F555-R561 WeakPolarHBondContact O-CD 3.48Å; F555-R561 PolarHBondContact O-NE 3Å; F555-R561 VanDerWaalsContact O-NE 3.08Å; G556-R561 PolarHBondContact O-NH2 2.85Å; D557-R561 WeakPolarHBondContact O-CB 3.33Å; D557-R561 PolarHBondContact O-N 3.18Å; F559-R561 PolarHBondContact O-N 3.37Å; R561-L564 PolarHBondContact O-N 2.92Å; R561-T565 WeakPolarHBondContact O-CG2 3.4Å; R561-T565 PolarHBondContact O-N 3.35Å; R561-T565 PolarHBondContact O-OG1 3.4Å
562	L	95.4	Very high	96	Very high	8 Å²	8	10.2 Å²	10.2	4%	0.042	5%	0.053	C	C	.	.	H	α-helix	trans	-66.1	-40.8	177.7	-173	62.3	0	0	0	111.8	L279 E558 F559 L560 T565 R566	L279-L562 HydrophobicContact CD1-CD2 4.26Å; E558-L562 WeakPolarHBondContact O-CB 3.31Å; E558-L562 PolarHBondContact O-N 3.45Å; E558-L562 VanDerWaalsContact O-N 3.11Å; F559-L562 PolarHBondContact O-N 3.24Å; L560-L562 VanDerWaalsContact C-N 3.34Å; L560-L562 PolarHBondContact O-N 3.39Å; L562-T565 PolarHBondContact O-OG1 3.24Å; L562-T565 VanDerWaalsContact O-OG1 3.07Å; L562-R566 HydrophobicContact CD1-CG 4.5Å; L562-R566 WeakPolarHBondContact O-CB 3.48Å; L562-R566 WeakPolarHBondContact O-CG 3.41Å; L562-R566 PolarHBondContact O-N 2.86Å
563	L	97.9	Very high	96.2	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.016	5%	0.047	C	C	.	.	H	α-helix	trans	-63.4	-40.8	175.2	-71.9	167.1	0	0	0	111.8	M323 L327 L387 I455 L502 F559 L560 F567	M323-L563 HydrophobicContact CE-CD2 4.24Å; M323-L563 HydrophobicContact SD-CD2 4.32Å; L327-L563 HydrophobicContact CD2-CD1 4.08Å; L387-L563 HydrophobicContact CD1-CD1 3.95Å; I455-L563 HydrophobicContact CD1-CD1 4.08Å; I455-L563 HydrophobicContact CD1-CD2 4.41Å; L502-L563 HydrophobicContact CB-CD2 4.11Å; F559-L563 WeakPolarHBondContact O-CG 3.29Å; F559-L563 PolarHBondContact O-N 3.38Å; L560-L563 HydrophobicContact CD2-CD1 4.47Å; L560-L563 PolarHBondContact O-N 2.71Å; L563-F567 VanDerWaalsContact O-CB 3.25Å; L563-F567 WeakPolarHBondContact O-CB 3.25Å; L563-F567 PolarHBondContact O-N 3.2Å
564	L	97.7	Very high	96.4	Very high	2 Å²	2	6 Å²	6	1%	0.01	3%	0.032	C	C	.	.	H	α-helix	trans	-65.1	-44.7	177.4	-74.6	171.3	0	0	0	112.5	F453 V476 L478 L541 F551 F555 L560 R561 F567 I568	F453-L564 HydrophobicContact CE2-CD1 4.38Å; F453-L564 HydrophobicContact CE2-CD2 4.13Å; F453-L564 HydrophobicContact CE2-CG 4.24Å; F453-L564 HydrophobicContact CZ-CD2 3.9Å; F453-L564 HydrophobicContact CZ-CG 4.09Å; V476-L564 HydrophobicContact CG1-CD2 4.42Å; L478-L564 HydrophobicContact CD2-CD2 4Å; L541-L564 HydrophobicContact CD1-CB 4.32Å; F551-L564 HydrophobicContact CD1-CD1 4.46Å; F551-L564 HydrophobicContact CD1-CD2 3.68Å; F551-L564 HydrophobicContact CE1-CD2 3.91Å; F555-L564 HydrophobicContact CD2-CB 4.49Å; F555-L564 HydrophobicContact CD2-CD1 3.88Å; F555-L564 HydrophobicContact CE2-CB 4.49Å; L560-L564 WeakPolarHBondContact O-CB 3.37Å; L560-L564 VanDerWaalsContact O-CG 3.28Å; L560-L564 WeakPolarHBondContact O-CG 3.44Å; L560-L564 PolarHBondContact O-N 3.49Å; R561-L564 PolarHBondContact O-N 2.92Å; L564-F567 WeakPolarHBondContact O-CB 3.5Å; L564-F567 PolarHBondContact O-N 3.44Å; L564-I568 PolarHBondContact O-N 3.37Å; L564-I568 VanDerWaalsContact O-N 3.08Å
565	T	97.3	Very high	96.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-66.3	-41.6	177.7	55.6	0	0	0	0	111.7	P285 I537 A538 F555 R561 L562 F567 I568 F569	P285-T565 HydrophobicContact CG-CG2 4.3Å; I537-T565 HydrophobicContact CB-CG2 4.44Å; I537-T565 HydrophobicContact CG2-CG2 3.97Å; A538-T565 HydrophobicContact CB-CG2 4.32Å; F555-T565 HydrophobicContact CE2-CG2 4.27Å; F555-T565 HydrophobicContact CZ-CG2 4.36Å; R561-T565 WeakPolarHBondContact O-CG2 3.4Å; R561-T565 PolarHBondContact O-N 3.35Å; R561-T565 PolarHBondContact O-OG1 3.4Å; L562-T565 PolarHBondContact O-OG1 3.24Å; L562-T565 VanDerWaalsContact O-OG1 3.07Å; T565-F567 VanDerWaalsContact C-N 3.33Å; T565-F567 PolarHBondContact O-N 2.72Å; T565-I568 PolarHBondContact O-N 3.08Å; T565-F569 PolarHBondContact O-N 2.87Å
566	R	97.9	Very high	96.6	Very high	24 Å²	24	8 Å²	8	9%	0.091	4%	0.041	C	C	.	.	H	α-helix	trans	-62.6	-38.1	174.1	-71.1	177.2	178.5	176.6	-4.5	112.5	L502 N503 P505 L562 F569 C570	L502-R566 HydrophobicContact CD2-CB 4.32Å; L502-R566 WeakPolarHBondContact O-CD 3.24Å; L502-R566 PolarHBondContact O-NH1 3.49Å; N503-R566 VanDerWaalsContact O-CZ 3.27Å; N503-R566 PolarHBondContact O-NH1 2.8Å; N503-R566 PolarHBondContact O-NH2 2.92Å; P505-R566 HydrophobicContact CB-CG 4.46Å; P505-R566 HydrophobicContact CG-CG 3.97Å; L562-R566 HydrophobicContact CD1-CG 4.5Å; L562-R566 WeakPolarHBondContact O-CB 3.48Å; L562-R566 WeakPolarHBondContact O-CG 3.41Å; L562-R566 PolarHBondContact O-N 2.86Å; R566-F569 PolarHBondContact O-N 3.46Å; R566-C570 VanDerWaalsContact O-CB 3.31Å; R566-C570 WeakPolarHBondContact O-CB 3.04Å; R566-C570 PolarHBondContact O-N 3.12Å
567	F	98.6	Very high	96.9	Very high	3 Å²	3	7.2 Å²	7.2	1%	0.013	3%	0.032	C	C	.	.	H	α-helix	trans	-62.8	-45.3	175.4	172.4	-92.3	0	0	0	112.3	L478 F498 L502 L563 L564 T565 C570 S571 P587 E588 L593	L478-F567 HydrophobicContact CB-CD2 3.82Å; L478-F567 HydrophobicContact CB-CE2 3.96Å; L478-F567 HydrophobicContact CD1-CB 3.96Å; L478-F567 HydrophobicContact CD1-CD2 4.09Å; L478-F567 HydrophobicContact CD1-CG 4.1Å; L478-F567 HydrophobicContact CD2-CB 4.44Å; L478-F567 HydrophobicContact CD2-CD1 3.98Å; L478-F567 HydrophobicContact CD2-CD2 3.9Å; L478-F567 HydrophobicContact CD2-CE1 4.21Å; L478-F567 HydrophobicContact CD2-CE2 4.12Å; L478-F567 HydrophobicContact CD2-CG 3.83Å; L478-F567 HydrophobicContact CD2-CZ 4.29Å; L478-F567 HydrophobicContact CG-CD2 4.15Å; L478-F567 HydrophobicContact CG-CG 4.38Å; F498-F567 AromaticContact CE2-CD2 3.68Å; F498-F567 HydrophobicContact CE2-CD2 3.68Å; F498-F567 AromaticContact CE2-CE2 3.89Å; F498-F567 HydrophobicContact CE2-CE2 3.89Å; F498-F567 AromaticContact CZ-CD2 3.85Å; F498-F567 HydrophobicContact CZ-CD2 3.85Å; F498-F567 HydrophobicContact CZ-CE2 4.04Å; L502-F567 HydrophobicContact CD2-CB 4.01Å; L563-F567 VanDerWaalsContact O-CB 3.25Å; L563-F567 WeakPolarHBondContact O-CB 3.25Å; L563-F567 PolarHBondContact O-N 3.2Å; L564-F567 WeakPolarHBondContact O-CB 3.5Å; L564-F567 PolarHBondContact O-N 3.44Å; T565-F567 VanDerWaalsContact C-N 3.33Å; T565-F567 PolarHBondContact O-N 2.72Å; F567-C570 WeakPolarHBondContact O-CB 3.24Å; F567-C570 PolarHBondContact O-N 3.35Å; F567-S571 PolarHBondContact O-N 3.27Å; F567-P587 HydrophobicContact CE2-CB 3.77Å; F567-P587 HydrophobicContact CE2-CG 4.43Å; F567-P587 HydrophobicContact CZ-CB 4.24Å; F567-E588 WeakPolarHBondContact CE2-O 3.31Å; F567-E588 VanDerWaalsContact CZ-O 3.24Å; F567-E588 WeakPolarHBondContact CZ-O 3.43Å; F567-L593 HydrophobicContact CD1-CD1 4.3Å; F567-L593 HydrophobicContact CE1-CD1 3.93Å
568	I	98.4	Very high	97	Very high	3 Å²	3	10 Å²	10	2%	0.015	4%	0.043	C	C	.	.	H	α-helix	trans	-64.1	-44.7	177.4	-69.8	172.4	0	0	0	110.4	I537 L541 L564 T565 C570 S571 A572 L593 V599 L604	I537-I568 HydrophobicContact CD1-CB 4.39Å; I537-I568 HydrophobicContact CD1-CG2 4.07Å; I537-I568 HydrophobicContact CG1-CG2 4.14Å; I537-I568 HydrophobicContact CG2-CB 3.77Å; I537-I568 HydrophobicContact CG2-CD1 3.64Å; I537-I568 HydrophobicContact CG2-CG1 4.29Å; I537-I568 HydrophobicContact CG2-CG2 3.77Å; L541-I568 HydrophobicContact CD1-CD1 3.61Å; L541-I568 HydrophobicContact CD2-CD1 3.51Å; L541-I568 HydrophobicContact CG-CD1 3.53Å; L564-I568 PolarHBondContact O-N 3.37Å; L564-I568 VanDerWaalsContact O-N 3.08Å; T565-I568 PolarHBondContact O-N 3.08Å; I568-C570 VanDerWaalsContact C-N 3.32Å; I568-C570 PolarHBondContact O-N 3.48Å; I568-S571 PolarHBondContact O-N 2.92Å; I568-A572 WeakPolarHBondContact O-CB 3.4Å; I568-A572 PolarHBondContact O-N 3.3Å; I568-L593 HydrophobicContact CD1-CD1 4.38Å; I568-L593 HydrophobicContact CG1-CD1 4.11Å; I568-V599 HydrophobicContact CG2-CG1 4.21Å; I568-L604 HydrophobicContact CG2-CD2 3.71Å
569	F	98.6	Very high	97.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.4	-42.3	175.1	-178.3	-104.9	0	0	0	112.1	F501 P505 F509 L530 I533 I537 T565 R566 T573 I608 L611	F501-F569 HydrophobicContact CD1-CD1 4.11Å; F501-F569 HydrophobicContact CD1-CE1 4.35Å; F501-F569 HydrophobicContact CE1-CD1 4.06Å; F501-F569 AromaticContact CE1-CE1 3.94Å; F501-F569 HydrophobicContact CE1-CE1 3.94Å; P505-F569 HydrophobicContact CB-CD1 3.65Å; P505-F569 HydrophobicContact CB-CE1 3.92Å; F509-F569 HydrophobicContact CB-CE1 4.28Å; F509-F569 HydrophobicContact CB-CZ 4.4Å; F509-F569 HydrophobicContact CD2-CE1 4.14Å; F509-F569 AromaticContact CD2-CZ 3.64Å; F509-F569 HydrophobicContact CD2-CZ 3.64Å; F509-F569 HydrophobicContact CE2-CZ 4.29Å; F509-F569 HydrophobicContact CG-CZ 4.27Å; L530-F569 HydrophobicContact CD1-CD1 4.13Å; L530-F569 HydrophobicContact CD1-CD2 4.02Å; L530-F569 HydrophobicContact CD1-CE1 3.83Å; L530-F569 HydrophobicContact CD1-CE2 3.72Å; L530-F569 HydrophobicContact CD1-CG 4.21Å; L530-F569 HydrophobicContact CD1-CZ 3.61Å; I533-F569 HydrophobicContact CD1-CE2 4.07Å; I533-F569 HydrophobicContact CG2-CD2 3.91Å; I533-F569 HydrophobicContact CG2-CE2 4.33Å; I537-F569 HydrophobicContact CD1-CB 3.9Å; T565-F569 PolarHBondContact O-N 2.87Å; R566-F569 PolarHBondContact O-N 3.46Å; F569-T573 VanDerWaalsContact O-CB 3.25Å; F569-T573 WeakPolarHBondContact O-CB 3.47Å; F569-T573 PolarHBondContact O-N 3.01Å; F569-T573 PolarHBondContact O-OG1 3.1Å; F569-I608 HydrophobicContact CD2-CG1 4.48Å; F569-I608 HydrophobicContact CE2-CG1 4.05Å; F569-L611 HydrophobicContact CE2-CD2 4.31Å; F569-L611 HydrophobicContact CZ-CD2 3.87Å
570	C	98.6	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.8	-51.5	173.8	-178.8	0	0	0	0	111.8	F501 R566 F567 I568 T573 M574	F501-C570 HydrophobicContact CB-CB 3.67Å; F501-C570 HydrophobicContact CD1-CB 3.87Å; F501-C570 HydrophobicContact CD2-CB 4.25Å; F501-C570 WeakPolarHBondContact CD2-SG 3.49Å; F501-C570 HydrophobicContact CG-CB 3.68Å; F501-C570 VanDerWaalsContact CG-SG 3.51Å; R566-C570 VanDerWaalsContact O-CB 3.31Å; R566-C570 WeakPolarHBondContact O-CB 3.04Å; R566-C570 PolarHBondContact O-N 3.12Å; F567-C570 WeakPolarHBondContact O-CB 3.24Å; F567-C570 PolarHBondContact O-N 3.35Å; I568-C570 VanDerWaalsContact C-N 3.32Å; I568-C570 PolarHBondContact O-N 3.48Å; C570-T573 PolarHBondContact O-N 3.23Å; C570-M574 WeakPolarHBondContact O-CG 3.43Å; C570-M574 PolarHBondContact O-N 3.12Å; C570-M574 VanDerWaalsContact SG-CE 3.59Å
571	S	98	Very high	96.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-63.4	-47	-177.4	-162.8	0	0	0	0	111.5	F567 I568 M574 R575 P587	F567-S571 PolarHBondContact O-N 3.27Å; I568-S571 PolarHBondContact O-N 2.92Å; S571-M574 PolarHBondContact O-N 3.38Å; S571-R575 WeakPolarHBondContact O-CB 3.47Å; S571-R575 VanDerWaalsContact O-CG 3.25Å; S571-R575 WeakPolarHBondContact O-CG 3.41Å; S571-R575 PolarHBondContact O-N 3.11Å; S571-R575 PolarHBondContact OG-NE 2.72Å; S571-P587 PolarHBondContact OG-O 3.11Å
572	A	98	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-45.3	178.1	0	0	0	0	0	111.7	I568 M574 R575 M576 V599 L604 I608	I568-A572 WeakPolarHBondContact O-CB 3.4Å; I568-A572 PolarHBondContact O-N 3.3Å; A572-M574 PolarHBondContact O-N 2.63Å; A572-R575 PolarHBondContact O-N 2.88Å; A572-M576 WeakPolarHBondContact O-CG 3.39Å; A572-M576 PolarHBondContact O-N 2.81Å; A572-M576 VanDerWaalsContact O-N 3.08Å; A572-V599 WeakPolarHBondContact CA-O 3.49Å; A572-V599 VanDerWaalsContact CB-O 3.28Å; A572-V599 WeakPolarHBondContact CB-O 3.25Å; A572-L604 HydrophobicContact CB-CD2 3.57Å; A572-L604 HydrophobicContact CB-CG 4.06Å; A572-I608 HydrophobicContact CB-CD1 3.49Å; A572-I608 VanDerWaalsContact CB-CD1 3.49Å
573	T	98	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-47.4	177.7	-60.4	0	0	0	0	111.4	F501 F509 V512 F569 C570 M576 H577 F621	F501-T573 HydrophobicContact CE1-CG2 4.18Å; F501-T573 HydrophobicContact CZ-CG2 3.82Å; F509-T573 HydrophobicContact CD2-CG2 3.58Å; F509-T573 HydrophobicContact CE2-CG2 3.84Å; V512-T573 HydrophobicContact CG2-CG2 4.25Å; F569-T573 VanDerWaalsContact O-CB 3.25Å; F569-T573 WeakPolarHBondContact O-CB 3.47Å; F569-T573 PolarHBondContact O-N 3.01Å; F569-T573 PolarHBondContact O-OG1 3.1Å; C570-T573 PolarHBondContact O-N 3.23Å; T573-M576 PolarHBondContact O-N 2.74Å; T573-H577 VanDerWaalsContact O-CB 3.3Å; T573-H577 WeakPolarHBondContact O-CB 3.49Å; T573-H577 PolarHBondContact O-N 2.95Å; T573-F621 HydrophobicContact CG2-CE1 4.08Å; T573-F621 HydrophobicContact CG2-CZ 4.48Å
574	M	97.3	Very high	96.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-42.2	178.9	-70.6	179.9	179	0	0	111.6	P481 Y484 L497 F501 C570 S571 A572 M576 H577 F580 Y586 P587	P481-M574 HydrophobicContact CG-CE 4.35Å; P481-M574 HydrophobicContact CG-SD 3.76Å; Y484-M574 HydrophobicContact CE1-CE 4.09Å; L497-M574 HydrophobicContact CD2-CE 3.68Å; L497-M574 HydrophobicContact CG-CE 3.73Å; F501-M574 HydrophobicContact CD2-CE 3.88Å; F501-M574 HydrophobicContact CE2-CE 3.86Å; C570-M574 WeakPolarHBondContact O-CG 3.43Å; C570-M574 PolarHBondContact O-N 3.12Å; C570-M574 VanDerWaalsContact SG-CE 3.59Å; S571-M574 PolarHBondContact O-N 3.38Å; A572-M574 PolarHBondContact O-N 2.63Å; M574-M576 VanDerWaalsContact C-N 3.3Å; M574-M576 PolarHBondContact O-N 3.01Å; M574-H577 PolarHBondContact O-N 3.25Å; M574-F580 HydrophobicContact CB-CD1 4.16Å; M574-F580 HydrophobicContact CB-CE1 4.49Å; M574-F580 HydrophobicContact CB-CG 4.26Å; M574-F580 HydrophobicContact CE-CE1 4.45Å; M574-F580 HydrophobicContact CG-CD1 4.12Å; M574-F580 HydrophobicContact CG-CE1 3.96Å; M574-F580 HydrophobicContact CG-CZ 4.22Å; M574-F580 VanDerWaalsContact O-CB 3.25Å; M574-F580 WeakPolarHBondContact O-CB 3.47Å; M574-F580 HydrophobicContact SD-CE1 4.26Å; M574-Y586 HydrophobicContact CB-CD1 4.1Å; M574-P587 HydrophobicContact SD-CG 4.38Å
575	R	96.1	Very high	96.1	Very high	34 Å²	34	35.9 Å²	35.9	13%	0.128	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-34.2	178.5	-72.6	168.8	-171.4	-80.7	-13.8	113.4	S571 A572 Y586 E600	S571-R575 WeakPolarHBondContact O-CB 3.47Å; S571-R575 VanDerWaalsContact O-CG 3.25Å; S571-R575 WeakPolarHBondContact O-CG 3.41Å; S571-R575 PolarHBondContact O-N 3.11Å; S571-R575 PolarHBondContact OG-NE 2.72Å; A572-R575 PolarHBondContact O-N 2.88Å; R575-Y586 HydrophobicContact CB-CD1 4.48Å; R575-Y586 HydrophobicContact CB-CE1 4.38Å; R575-Y586 HydrophobicContact CG-CD1 3.74Å; R575-Y586 HydrophobicContact CG-CD2 4.13Å; R575-Y586 HydrophobicContact CG-CE1 4.02Å; R575-Y586 HydrophobicContact CG-CE2 4.37Å; R575-Y586 HydrophobicContact CG-CG 3.82Å; R575-E600 IonicContact CZ-OE1 2.72Å; R575-E600 IonicContact NE-OE1 3.91Å; R575-E600 IonicContact NH1-OE1 2.81Å; R575-E600 PolarHBondContact NH1-OE1 2.98Å
576	M	96.3	Very high	96	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.059	17%	0.166	C	C	.	.	H	α-helix	trans	-83.5	-18.6	-179.7	-67.4	-171.1	76.8	0	0	114	A572 T573 M574 Q605 I608 L609 F621 F622	A572-M576 WeakPolarHBondContact O-CG 3.39Å; A572-M576 PolarHBondContact O-N 2.81Å; A572-M576 VanDerWaalsContact O-N 3.08Å; T573-M576 PolarHBondContact O-N 2.74Å; M574-M576 VanDerWaalsContact C-N 3.3Å; M574-M576 PolarHBondContact O-N 3.01Å; M576-Q605 HydrophobicContact CE-CB 3.66Å; M576-Q605 HydrophobicContact CE-CG 4.06Å; M576-Q605 HydrophobicContact CG-CG 4.28Å; M576-Q605 VanDerWaalsContact SD-CA 3.5Å; M576-Q605 HydrophobicContact SD-CB 3.66Å; M576-Q605 HydrophobicContact SD-CG 3.65Å; M576-I608 HydrophobicContact CE-CG2 4.42Å; M576-I608 HydrophobicContact SD-CB 3.73Å; M576-I608 HydrophobicContact SD-CD1 3.8Å; M576-I608 HydrophobicContact SD-CG1 4.38Å; M576-I608 HydrophobicContact SD-CG2 3.64Å; M576-L609 HydrophobicContact CE-CD1 3.98Å; M576-L609 HydrophobicContact CE-CD2 4.06Å; M576-L609 HydrophobicContact CE-CG 3.68Å; M576-F621 HydrophobicContact CB-CD1 3.92Å; M576-F621 CarbonylContact O-C 3.5Å; M576-F621 WeakPolarHBondContact O-CA 3.42Å; M576-F622 VanDerWaalsContact O-CD2 3.28Å; M576-F622 WeakPolarHBondContact O-CD2 3.28Å; M576-F622 PolarHBondContact O-N 3.47Å
577	H	97	Very high	96	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-87.2	127.9	-169.7	-172.2	-64.5	0	0	0	111.8	V512 T573 M574 I579 F580 V620 F621	V512-H577 PolarHBondContact O-NE2 3.32Å; T573-H577 VanDerWaalsContact O-CB 3.3Å; T573-H577 WeakPolarHBondContact O-CB 3.49Å; T573-H577 PolarHBondContact O-N 2.95Å; M574-H577 PolarHBondContact O-N 3.25Å; H577-I579 WeakPolarHBondContact ND1-CG1 3.43Å; H577-I579 PolarHBondContact ND1-N 3.2Å; H577-I579 PolarHBondContact O-N 2.95Å; H577-F580 HydrophobicContact CB-CD2 3.7Å; H577-F580 HydrophobicContact CB-CE2 4.02Å; H577-F580 AromaticContact CG-CD2 3.89Å; H577-F580 AromaticContact CG-CE2 3.88Å; H577-F580 AromaticContact ND1-CD2 3.73Å; H577-F580 AromaticContact ND1-CE2 3.77Å; H577-F580 PolarHBondContact O-N 3.49Å; H577-V620 WeakPolarHBondContact NE2-CG2 3.25Å; H577-F621 HydrophobicContact CB-CD1 4.06Å; H577-F621 HydrophobicContact CB-CE1 3.9Å; H577-F621 AromaticContact CD2-CE1 3.73Å; H577-F621 AromaticContact CD2-CZ 3.75Å
578	K	95.9	Very high	95.9	Very high	78 Å²	78	38.7 Å²	38.7	34%	0.339	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.7	-167.2	-72.7	176.4	-179.4	170.9	0	116.8	R581 N619 V620 F621 F622	K578-R581 WeakPolarHBondContact O-CG 3.36Å; K578-R581 PolarHBondContact O-NE 3.12Å; K578-N619 WeakPolarHBondContact CE-O 3.49Å; K578-N619 PolarHBondContact NZ-O 3.37Å; K578-V620 WeakPolarHBondContact CB-O 3.4Å; K578-V620 VanDerWaalsContact CG-O 3.25Å; K578-V620 WeakPolarHBondContact CG-O 3.48Å; K578-V620 PolarHBondContact N-O 3.42Å; K578-F621 WeakPolarHBondContact CE-O 3.48Å; K578-F622 HydrophobicContact CB-CE2 4.4Å; K578-F622 HydrophobicContact CB-CZ 4.23Å; K578-F622 HydrophobicContact CG-CD1 4Å; K578-F622 HydrophobicContact CG-CD2 4.25Å; K578-F622 HydrophobicContact CG-CE1 3.86Å; K578-F622 HydrophobicContact CG-CE2 4.12Å; K578-F622 HydrophobicContact CG-CG 4.19Å; K578-F622 HydrophobicContact CG-CZ 3.92Å
579	I	94.9	Very high	95.9	Very high	64 Å²	64	39.1 Å²	39.1	33%	0.328	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-19.9	179.8	78.6	-172.5	0	0	0	113.2	P485 L488 H577	P485-I579 HydrophobicContact CB-CG1 4.36Å; P485-I579 HydrophobicContact CG-CG1 4.11Å; P485-I579 VanDerWaalsContact CG-O 3.28Å; P485-I579 WeakPolarHBondContact CG-O 3.34Å; L488-I579 HydrophobicContact CD1-CD1 3.99Å; L488-I579 HydrophobicContact CG-CD1 4.3Å; H577-I579 WeakPolarHBondContact ND1-CG1 3.43Å; H577-I579 PolarHBondContact ND1-N 3.2Å; H577-I579 PolarHBondContact O-N 2.95Å
580	F	95.2	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.185	C	C	.	.			trans	-96	108.6	175.4	-54.7	-102.4	0	0	0	106.4	Y484 P485 L488 L497 V512 M574 H577 N585 Y586	Y484-F580 HydrophobicContact CD1-CE1 4.36Å; P485-F580 HydrophobicContact CG-CD1 3.73Å; P485-F580 HydrophobicContact CG-CE1 4.01Å; P485-F580 HydrophobicContact CG-CG 4.04Å; L488-F580 HydrophobicContact CD1-CE1 4.01Å; L488-F580 HydrophobicContact CD1-CE2 4.41Å; L488-F580 HydrophobicContact CD1-CZ 3.56Å; L497-F580 HydrophobicContact CD2-CE1 4.17Å; L497-F580 HydrophobicContact CD2-CZ 3.91Å; V512-F580 HydrophobicContact CB-CE2 4.46Å; V512-F580 HydrophobicContact CG1-CE2 4.48Å; V512-F580 HydrophobicContact CG1-CZ 4.12Å; M574-F580 HydrophobicContact CB-CD1 4.16Å; M574-F580 HydrophobicContact CB-CE1 4.49Å; M574-F580 HydrophobicContact CB-CG 4.26Å; M574-F580 HydrophobicContact CE-CE1 4.45Å; M574-F580 HydrophobicContact CG-CD1 4.12Å; M574-F580 HydrophobicContact CG-CE1 3.96Å; M574-F580 HydrophobicContact CG-CZ 4.22Å; M574-F580 VanDerWaalsContact O-CB 3.25Å; M574-F580 WeakPolarHBondContact O-CB 3.47Å; M574-F580 HydrophobicContact SD-CE1 4.26Å; H577-F580 HydrophobicContact CB-CD2 3.7Å; H577-F580 HydrophobicContact CB-CE2 4.02Å; H577-F580 AromaticContact CG-CD2 3.89Å; H577-F580 AromaticContact CG-CE2 3.88Å; H577-F580 AromaticContact ND1-CD2 3.73Å; H577-F580 AromaticContact ND1-CE2 3.77Å; H577-F580 PolarHBondContact O-N 3.49Å; F580-N585 HydrophobicContact CB-CB 3.96Å; F580-N585 HydrophobicContact CD1-CB 4.02Å; F580-N585 HydrophobicContact CG-CB 4.49Å; F580-Y586 HydrophobicContact CB-CD1 4.48Å; F580-Y586 HydrophobicContact CB-CE1 3.8Å; F580-Y586 PolarHBondContact O-OH 3.04Å
581	R	89.6	Confident	95.7	Very high	196 Å²	196	42 Å²	42	74%	0.74	19%	0.19	S	C	*	.			trans	-123.4	-20.1	-170.2	-62.2	-175.8	-177.9	-178.2	-0.6	113.1	K578 N585	K578-R581 WeakPolarHBondContact O-CG 3.36Å; K578-R581 PolarHBondContact O-NE 3.12Å; R581-N585 PolarHBondContact N-OD1 3.35Å; R581-N585 VanDerWaalsContact N-OD1 3.13Å
582	E	92.8	Very high	95.6	Very high	94 Å²	94	48.1 Å²	48.1	44%	0.439	22%	0.218	S	C	.	.	S	Bend	trans	-102.2	146.7	-175.3	-58.2	170.2	-178.8	0	0	109.4	R584 N585 Y586	E582-R584 HydrophobicContact CB-CG 3.9Å; E582-R584 PolarHBondContact O-N 2.92Å; E582-R584 VanDerWaalsContact O-N 3.13Å; E582-R584 IonicContact OE2-CZ 2.6Å; E582-R584 VanDerWaalsContact OE2-CZ 3.28Å; E582-R584 IonicContact OE2-NE 2.68Å; E582-R584 PolarHBondContact OE2-NE 2.85Å; E582-R584 IonicContact OE2-NH2 2.64Å; E582-R584 PolarHBondContact OE2-NH2 3.5Å; E582-R584 VanDerWaalsContact OE2-NH2 3.1Å; E582-N585 WeakPolarHBondContact CB-OD1 3.48Å; E582-N585 PolarHBondContact N-OD1 3.2Å; E582-N585 WeakPolarHBondContact O-CB 3.28Å; E582-N585 PolarHBondContact O-N 2.87Å; E582-Y586 WeakPolarHBondContact O-CE2 3.47Å
583	T	90.4	Very high	95.4	Very high	111 Å²	111	48.6 Å²	48.6	68%	0.681	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-55.1	-34.6	178	49.9	0	0	0	0	112.8	N585 Y586	T583-N585 PolarHBondContact O-N 3.18Å; T583-Y586 WeakPolarHBondContact O-CD2 3.42Å; T583-Y586 PolarHBondContact O-N 3.28Å
584	R	94.1	Very high	95.3	Very high	123 Å²	123	50.1 Å²	50.1	46%	0.464	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-67.6	-11.4	176	68.6	171.2	-166.4	163.7	2.8	114.9	T482 A483 E582 Y586	T482-R584 PolarHBondContact N-O 3.01Å; T482-R584 VanDerWaalsContact N-O 3.07Å; T482-R584 WeakPolarHBondContact OG1-CB 3.47Å; A483-R584 HydrophobicContact CB-CG 4.14Å; A483-R584 VanDerWaalsContact CB-CZ 3.46Å; A483-R584 PolarHBondContact N-O 2.92Å; E582-R584 HydrophobicContact CB-CG 3.9Å; E582-R584 PolarHBondContact O-N 2.92Å; E582-R584 VanDerWaalsContact O-N 3.13Å; E582-R584 IonicContact OE2-CZ 2.6Å; E582-R584 VanDerWaalsContact OE2-CZ 3.28Å; E582-R584 IonicContact OE2-NE 2.68Å; E582-R584 PolarHBondContact OE2-NE 2.85Å; E582-R584 IonicContact OE2-NH2 2.64Å; E582-R584 PolarHBondContact OE2-NH2 3.5Å; E582-R584 VanDerWaalsContact OE2-NH2 3.1Å; R584-Y586 VanDerWaalsContact C-N 3.29Å
585	N	94.8	Very high	95	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.027	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.3	-5.5	175.9	-59	150.4	0	0	0	112.9	P481 A483 F580 R581 E582 T583	P481-N585 WeakPolarHBondContact CG-O 3.43Å; A483-N585 WeakPolarHBondContact O-CA 3.24Å; A483-N585 PolarHBondContact O-ND2 3.01Å; F580-N585 HydrophobicContact CB-CB 3.96Å; F580-N585 HydrophobicContact CD1-CB 4.02Å; F580-N585 HydrophobicContact CG-CB 4.49Å; R581-N585 PolarHBondContact N-OD1 3.35Å; R581-N585 VanDerWaalsContact N-OD1 3.13Å; E582-N585 WeakPolarHBondContact CB-OD1 3.48Å; E582-N585 PolarHBondContact N-OD1 3.2Å; E582-N585 WeakPolarHBondContact O-CB 3.28Å; E582-N585 PolarHBondContact O-N 2.87Å; T583-N585 PolarHBondContact O-N 3.18Å
586	Y	95.4	Very high	94.9	Very high	32 Å²	32	58.4 Å²	58.4	13%	0.125	27%	0.271	C	S	.	.	S	Bend	trans	-107.6	144.1	-176.5	-47	-46.3	0	0	0	111.2	M574 R575 F580 E582 T583 R584	M574-Y586 HydrophobicContact CB-CD1 4.1Å; R575-Y586 HydrophobicContact CB-CD1 4.48Å; R575-Y586 HydrophobicContact CB-CE1 4.38Å; R575-Y586 HydrophobicContact CG-CD1 3.74Å; R575-Y586 HydrophobicContact CG-CD2 4.13Å; R575-Y586 HydrophobicContact CG-CE1 4.02Å; R575-Y586 HydrophobicContact CG-CE2 4.37Å; R575-Y586 HydrophobicContact CG-CG 3.82Å; F580-Y586 HydrophobicContact CB-CD1 4.48Å; F580-Y586 HydrophobicContact CB-CE1 3.8Å; F580-Y586 PolarHBondContact O-OH 3.04Å; E582-Y586 WeakPolarHBondContact O-CE2 3.47Å; T583-Y586 WeakPolarHBondContact O-CD2 3.42Å; T583-Y586 PolarHBondContact O-N 3.28Å; R584-Y586 VanDerWaalsContact C-N 3.29Å
587	P	97.4	Very high	94.7	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	29%	0.286	C	S	.	.			trans	-70.6	149.3	170	30	-32.9	0	0	0	110.3	L479 F498 F567 S571 M574	L479-P587 CarbonylContact O-C 3.49Å; L479-P587 WeakPolarHBondContact O-CA 3.46Å; L479-P587 WeakPolarHBondContact O-CB 3.07Å; F498-P587 HydrophobicContact CD2-CB 4.09Å; F498-P587 HydrophobicContact CE2-CB 3.74Å; F498-P587 HydrophobicContact CE2-CG 4.48Å; F567-P587 HydrophobicContact CE2-CB 3.77Å; F567-P587 HydrophobicContact CE2-CG 4.43Å; F567-P587 HydrophobicContact CZ-CB 4.24Å; S571-P587 PolarHBondContact OG-O 3.11Å; M574-P587 HydrophobicContact SD-CG 4.38Å
588	E	97.1	Very high	94.4	Very high	52 Å²	52	61.5 Å²	61.5	24%	0.243	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	169.4	-179.8	-65.4	-163.1	-113.2	0	0	110.8	L479 F567	L479-E588 WeakPolarHBondContact CA-O 3.39Å; L479-E588 HydrophobicContact CB-CB 4.43Å; L479-E588 VanDerWaalsContact CB-O 3.31Å; L479-E588 WeakPolarHBondContact CB-O 3.27Å; L479-E588 PolarHBondContact N-O 3.17Å; L479-E588 PolarHBondContact O-N 2.93Å; F567-E588 WeakPolarHBondContact CE2-O 3.31Å; F567-E588 VanDerWaalsContact CZ-O 3.24Å; F567-E588 WeakPolarHBondContact CZ-O 3.43Å
589	S	97.7	Very high	94.3	Very high	12 Å²	12	58.1 Å²	58.1	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.4	178.5	68.1	0	0	0	0	112.1	C477 P591 L593	C477-S589 CarbonylContact O-C 3.58Å; C477-S589 WeakPolarHBondContact O-CA 3.29Å; C477-S589 WeakPolarHBondContact O-CB 3.49Å; S589-P591 CarbonylContact C-O 3.52Å; S589-P591 CarbonylContact O-C 3.48Å; S589-P591 PolarHBondContact OG-O 3.07Å; S589-L593 PolarHBondContact OG-N 2.84Å
590	Y	97.3	Very high	94.2	Very high	45 Å²	45	57.2 Å²	57.2	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.9	160.8	172.8	-90.1	0	0	0	109.1	K465 F467 L475 V476 C477	K465-Y590 WeakPolarHBondContact O-CD2 3.16Å; F467-Y590 HydrophobicContact CB-CD1 4.26Å; F467-Y590 HydrophobicContact CB-CE1 3.67Å; F467-Y590 HydrophobicContact CB-CE2 4.2Å; F467-Y590 HydrophobicContact CD2-CD1 4.21Å; F467-Y590 HydrophobicContact CD2-CE1 4.43Å; F467-Y590 HydrophobicContact CG-CE1 4.42Å; F467-Y590 PolarHBondContact O-OH 2.68Å; L475-Y590 HydrophobicContact CB-CE1 4.44Å; L475-Y590 HydrophobicContact CD2-CD1 4.25Å; L475-Y590 HydrophobicContact CD2-CE1 3.88Å; L475-Y590 HydrophobicContact CG-CD1 4.2Å; L475-Y590 HydrophobicContact CG-CE1 4.05Å; V476-Y590 CarbonylContact C-O 3.57Å; V476-Y590 VanDerWaalsContact CA-O 3.25Å; V476-Y590 WeakPolarHBondContact CA-O 3.22Å; C477-Y590 PolarHBondContact N-O 3.46Å; C477-Y590 PolarHBondContact O-N 3.42Å
591	P	96.4	Very high	94.2	Very high	17 Å²	17	58.4 Å²	58.4	11%	0.11	27%	0.272	C	S	.	.	S	Bend	cis	-56.3	160.4	-14	-23.7	35.8	0	0	0	111.7	L475 D548 F551 S589 L593	L475-P591 WeakPolarHBondContact O-CD 3.24Å; D548-P591 HydrophobicContact CB-CB 3.85Å; D548-P591 HydrophobicContact CB-CG 3.87Å; F551-P591 HydrophobicContact CE2-CB 4.18Å; F551-P591 HydrophobicContact CE2-CG 4.39Å; F551-P591 WeakPolarHBondContact CE2-O 3.12Å; F551-P591 VanDerWaalsContact CZ-O 3.29Å; F551-P591 WeakPolarHBondContact CZ-O 3.34Å; S589-P591 CarbonylContact C-O 3.52Å; S589-P591 CarbonylContact O-C 3.48Å; S589-P591 PolarHBondContact OG-O 3.07Å; P591-L593 PolarHBondContact O-N 3.07Å
592	Q	95.4	Very high	94.5	Very high	129 Å²	129	53.1 Å²	53.1	60%	0.603	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-68.7	126.5	-179.1	-174.3	171.2	21.6	0	0	109.9
593	L	95	Very high	94.6	Very high	11 Å²	11	53 Å²	53	6%	0.058	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-71	137.4	172.5	-72.3	172	0	0	0	110.7	L541 F551 F567 I568 S589 P591 R595	L541-L593 HydrophobicContact CD2-CD2 4.27Å; F551-L593 HydrophobicContact CD1-CD2 4.16Å; F551-L593 HydrophobicContact CD2-CD2 3.96Å; F551-L593 HydrophobicContact CE1-CD1 4.48Å; F551-L593 HydrophobicContact CE1-CD2 3.91Å; F551-L593 HydrophobicContact CE1-CG 4.21Å; F551-L593 HydrophobicContact CE2-CD2 3.69Å; F551-L593 HydrophobicContact CE2-CG 4.22Å; F551-L593 HydrophobicContact CG-CD2 4.19Å; F551-L593 HydrophobicContact CZ-CD2 3.68Å; F551-L593 HydrophobicContact CZ-CG 3.84Å; F567-L593 HydrophobicContact CD1-CD1 4.3Å; F567-L593 HydrophobicContact CE1-CD1 3.93Å; I568-L593 HydrophobicContact CD1-CD1 4.38Å; I568-L593 HydrophobicContact CG1-CD1 4.11Å; S589-L593 PolarHBondContact OG-N 2.84Å; P591-L593 PolarHBondContact O-N 3.07Å; L593-R595 PolarHBondContact O-N 2.99Å; L593-R595 VanDerWaalsContact O-N 3.1Å
594	P	94.6	Very high	94.9	Very high	32 Å²	32	47.9 Å²	47.9	21%	0.208	23%	0.23	C	C	.	.			trans	-61.8	109.3	171.7	-18.5	30.2	0	0	0	110.1	S546 I547 E597 T598	S546-P594 WeakPolarHBondContact OG-CG 3.44Å; I547-P594 HydrophobicContact CG1-CG 4.18Å; P594-E597 HydrophobicContact CB-CB 4.32Å; P594-E597 PolarHBondContact O-N 3.19Å; P594-T598 WeakPolarHBondContact O-CB 3.44Å; P594-T598 WeakPolarHBondContact O-CG2 3.49Å; P594-T598 PolarHBondContact O-N 3.37Å; P594-T598 VanDerWaalsContact O-N 3.12Å; P594-T598 PolarHBondContact O-OG1 3.49Å
595	R	92.5	Very high	95	Very high	89 Å²	89	43.4 Å²	43.4	34%	0.336	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-50	-166.9	-65.6	-177.3	-177.5	172.7	3	112.7	L593 E597 T598 V599 E600	L593-R595 PolarHBondContact O-N 2.99Å; L593-R595 VanDerWaalsContact O-N 3.1Å; R595-E597 PolarHBondContact O-N 2.83Å; R595-T598 CarbonylContact O-C 3.45Å; R595-T598 PolarHBondContact O-N 3.03Å; R595-V599 HydrophobicContact CB-CG2 4.1Å; R595-V599 HydrophobicContact CG-CG2 4.14Å; R595-V599 PolarHBondContact O-N 3.19Å; R595-V599 VanDerWaalsContact O-N 3.12Å; R595-E600 WeakPolarHBondContact CB-OE2 3.33Å; R595-E600 PolarHBondContact O-N 2.98Å
596	D	92.8	Very high	95.1	Very high	119 Å²	119	50.3 Å²	50.3	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-31	-177.1	-53.9	-31.1	0	0	0	112.8	N601	D596-N601 WeakPolarHBondContact O-CA 3.43Å
597	E	91.4	Very high	95.2	Very high	82 Å²	82	49.1 Å²	49.1	38%	0.383	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.4	178.1	-62.3	-176.4	-135.7	0	0	113.1	S544 S546 P594 R595	S544-E597 WeakPolarHBondContact CB-OE2 3.48Å; S544-E597 PolarHBondContact OG-OE2 3.4Å; S546-E597 PolarHBondContact OG-OE1 3.05Å; S546-E597 PolarHBondContact OG-OE2 3.17Å; P594-E597 HydrophobicContact CB-CB 4.32Å; P594-E597 PolarHBondContact O-N 3.19Å; R595-E597 PolarHBondContact O-N 2.83Å
598	T	92	Very high	95.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-90.5	-173.6	61.2	0	0	0	0	112.7	I547 P594 R595 E600 N601 L604	I547-T598 HydrophobicContact CD1-CG2 3.86Å; I547-T598 HydrophobicContact CG1-CG2 4.4Å; P594-T598 WeakPolarHBondContact O-CB 3.44Å; P594-T598 WeakPolarHBondContact O-CG2 3.49Å; P594-T598 PolarHBondContact O-N 3.37Å; P594-T598 VanDerWaalsContact O-N 3.12Å; P594-T598 PolarHBondContact O-OG1 3.49Å; R595-T598 CarbonylContact O-C 3.45Å; R595-T598 PolarHBondContact O-N 3.03Å; T598-E600 PolarHBondContact O-N 3.42Å; T598-N601 VanDerWaalsContact O-CB 3.24Å; T598-N601 WeakPolarHBondContact O-CB 3.5Å; T598-N601 PolarHBondContact O-N 3.2Å; T598-L604 WeakPolarHBondContact O-CD2 3.42Å
599	V	92.5	Very high	95.3	Very high	6 Å²	6	47.4 Å²	47.4	4%	0.036	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-21	-169.7	-59.9	0	0	0	0	113.6	I568 A572 R595	I568-V599 HydrophobicContact CG2-CG1 4.21Å; A572-V599 WeakPolarHBondContact CA-O 3.49Å; A572-V599 VanDerWaalsContact CB-O 3.28Å; A572-V599 WeakPolarHBondContact CB-O 3.25Å; R595-V599 HydrophobicContact CB-CG2 4.1Å; R595-V599 HydrophobicContact CG-CG2 4.14Å; R595-V599 PolarHBondContact O-N 3.19Å; R595-V599 VanDerWaalsContact O-N 3.12Å
600	E	94.6	Very high	95.3	Very high	45 Å²	45	50.9 Å²	50.9	21%	0.21	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	11.2	176.6	-74.3	162.1	-164.3	0	0	111.7	R575 R595 T598 Q605	R575-E600 IonicContact CZ-OE1 2.72Å; R575-E600 IonicContact NE-OE1 3.91Å; R575-E600 IonicContact NH1-OE1 2.81Å; R575-E600 PolarHBondContact NH1-OE1 2.98Å; R595-E600 WeakPolarHBondContact CB-OE2 3.33Å; R595-E600 PolarHBondContact O-N 2.98Å; T598-E600 PolarHBondContact O-N 3.42Å; E600-Q605 PolarHBondContact O-NE2 3.36Å
601	N	95.1	Very high	95.4	Very high	26 Å²	26	48.7 Å²	48.7	14%	0.139	24%	0.239	C	C	.	.			trans	-60.6	126.1	179.3	-177.1	-82.7	0	0	0	111.6	L540 D596 T598 H603 L604 Q605	L540-N601 HydrophobicContact CD1-CB 4.07Å; D596-N601 WeakPolarHBondContact O-CA 3.43Å; T598-N601 VanDerWaalsContact O-CB 3.24Å; T598-N601 WeakPolarHBondContact O-CB 3.5Å; T598-N601 PolarHBondContact O-N 3.2Å; N601-H603 VanDerWaalsContact C-N 3.27Å; N601-H603 PolarHBondContact O-N 2.99Å; N601-H603 WeakPolarHBondContact OD1-CA 3.09Å; N601-H603 VanDerWaalsContact OD1-CB 3.25Å; N601-H603 WeakPolarHBondContact OD1-CB 3.38Å; N601-H603 PolarHBondContact OD1-N 3.03Å; N601-L604 HydrophobicContact CB-CB 4.19Å; N601-L604 WeakPolarHBondContact O-CB 3.45Å; N601-L604 PolarHBondContact O-N 3.08Å; N601-L604 VanDerWaalsContact O-N 3.08Å; N601-L604 PolarHBondContact OD1-N 2.86Å; N601-Q605 WeakPolarHBondContact O-CG 3.47Å; N601-Q605 PolarHBondContact O-N 3.32Å
602	P	95.2	Very high	95.5	Very high	85 Å²	85	47.9 Å²	47.9	55%	0.552	23%	0.234	S	C	*	.	H	α-helix	trans	-59	-32.6	-176.4	-27.9	35.1	0	0	0	114.7	Q605 K606	P602-Q605 PolarHBondContact O-N 3.25Å; P602-K606 PolarHBondContact O-N 3.28Å
603	H	94.9	Very high	95.6	Very high	91 Å²	91	43.9 Å²	43.9	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-69.3	-41.8	177.5	-176.8	66.8	0	0	0	111.1	D536 N601 Q605 K606 H607	D536-H603 IonicContact OD2-CD2 3.28Å; D536-H603 IonicContact OD2-CE1 3.78Å; D536-H603 IonicContact OD2-NE2 3.1Å; D536-H603 PolarHBondContact OD2-NE2 3.37Å; N601-H603 VanDerWaalsContact C-N 3.27Å; N601-H603 PolarHBondContact O-N 2.99Å; N601-H603 WeakPolarHBondContact OD1-CA 3.09Å; N601-H603 VanDerWaalsContact OD1-CB 3.25Å; N601-H603 WeakPolarHBondContact OD1-CB 3.38Å; N601-H603 PolarHBondContact OD1-N 3.03Å; H603-Q605 VanDerWaalsContact C-N 3.35Å; H603-K606 PolarHBondContact O-N 3.05Å; H603-H607 AromaticContact CD2-CD2 3.69Å; H603-H607 AromaticContact CD2-NE2 3.81Å; H603-H607 AromaticContact CE1-CD2 3.73Å; H603-H607 AromaticContact CE1-NE2 3.22Å; H603-H607 PolarHBondContact CE1-NE2 3.03Å; H603-H607 AromaticContact NE2-CD2 3.37Å; H603-H607 PolarHBondContact NE2-CD2 3.27Å; H603-H607 AromaticContact NE2-NE2 2.99Å; H603-H607 PolarHBondContact NE2-NE2 2.95Å; H603-H607 PolarHBondContact O-CD2 3.22Å; H603-H607 VanDerWaalsContact O-CD2 3.25Å; H603-H607 PolarHBondContact O-N 3.16Å
604	L	96.4	Very high	95.7	Very high	4 Å²	4	45 Å²	45	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-40.3	173.1	179.8	57.7	0	0	0	111.8	I533 I537 I568 A572 T598 N601 K606 H607 I608	I533-L604 HydrophobicContact CG2-CD1 3.67Å; I537-L604 HydrophobicContact CD1-CD1 3.88Å; I537-L604 HydrophobicContact CD1-CD2 4.41Å; I537-L604 HydrophobicContact CG1-CD1 3.83Å; I537-L604 HydrophobicContact CG1-CD2 4.26Å; I568-L604 HydrophobicContact CG2-CD2 3.71Å; A572-L604 HydrophobicContact CB-CD2 3.57Å; A572-L604 HydrophobicContact CB-CG 4.06Å; T598-L604 WeakPolarHBondContact O-CD2 3.42Å; N601-L604 HydrophobicContact CB-CB 4.19Å; N601-L604 WeakPolarHBondContact O-CB 3.45Å; N601-L604 PolarHBondContact O-N 3.08Å; N601-L604 VanDerWaalsContact O-N 3.08Å; N601-L604 PolarHBondContact OD1-N 2.86Å; L604-K606 PolarHBondContact O-N 3.05Å; L604-H607 WeakPolarHBondContact O-CB 3.35Å; L604-H607 PolarHBondContact O-N 3.44Å; L604-I608 HydrophobicContact CD1-CD1 4.49Å; L604-I608 HydrophobicContact CG-CD1 4.29Å; L604-I608 PolarHBondContact O-N 3.18Å
605	Q	96.7	Very high	95.8	Very high	29 Å²	29	44.2 Å²	44.2	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-44.1	176.3	-68.8	-179.4	-8.3	0	0	112	M576 E600 N601 P602 H603 H607 I608 L609	M576-Q605 HydrophobicContact CE-CB 3.66Å; M576-Q605 HydrophobicContact CE-CG 4.06Å; M576-Q605 HydrophobicContact CG-CG 4.28Å; M576-Q605 VanDerWaalsContact SD-CA 3.5Å; M576-Q605 HydrophobicContact SD-CB 3.66Å; M576-Q605 HydrophobicContact SD-CG 3.65Å; E600-Q605 PolarHBondContact O-NE2 3.36Å; N601-Q605 WeakPolarHBondContact O-CG 3.47Å; N601-Q605 PolarHBondContact O-N 3.32Å; P602-Q605 PolarHBondContact O-N 3.25Å; H603-Q605 VanDerWaalsContact C-N 3.35Å; Q605-H607 VanDerWaalsContact C-N 3.28Å; Q605-H607 PolarHBondContact O-N 3.2Å; Q605-I608 PolarHBondContact O-N 2.98Å; Q605-L609 PolarHBondContact O-N 3.24Å
606	K	96.9	Very high	96	Very high	149 Å²	149	47 Å²	47	65%	0.648	24%	0.241	S	C	*	.	H	α-helix	trans	-58.5	-41	174	-175.5	178.7	-179.6	177.4	0	111.8	P602 H603 L604 L609 E610	P602-K606 PolarHBondContact O-N 3.28Å; H603-K606 PolarHBondContact O-N 3.05Å; L604-K606 PolarHBondContact O-N 3.05Å; K606-L609 PolarHBondContact O-N 2.95Å; K606-E610 WeakPolarHBondContact O-CB 3.43Å; K606-E610 PolarHBondContact O-N 3.4Å
607	H	97.8	Very high	96.2	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-42.8	175.2	-88.8	-56	0	0	0	113.3	Y529 I533 D536 H603 L604 Q605 E610 L611	Y529-H607 AromaticContact CE1-ND1 3.86Å; Y529-H607 WeakPolarHBondContact CE1-O 3.37Å; Y529-H607 AromaticContact CZ-ND1 3.5Å; Y529-H607 PolarHBondContact OH-ND1 3.44Å; I533-H607 HydrophobicContact CD1-CB 4.03Å; I533-H607 HydrophobicContact CG1-CB 3.89Å; D536-H607 IonicContact OD2-CD2 2.72Å; D536-H607 IonicContact OD2-CE1 3.67Å; D536-H607 IonicContact OD2-NE2 3.99Å; D536-H607 PolarHBondContact OD2-NE2 3.15Å; H603-H607 AromaticContact CD2-CD2 3.69Å; H603-H607 AromaticContact CD2-NE2 3.81Å; H603-H607 AromaticContact CE1-CD2 3.73Å; H603-H607 AromaticContact CE1-NE2 3.22Å; H603-H607 PolarHBondContact CE1-NE2 3.03Å; H603-H607 AromaticContact NE2-CD2 3.37Å; H603-H607 PolarHBondContact NE2-CD2 3.27Å; H603-H607 AromaticContact NE2-NE2 2.99Å; H603-H607 PolarHBondContact NE2-NE2 2.95Å; H603-H607 PolarHBondContact O-CD2 3.22Å; H603-H607 VanDerWaalsContact O-CD2 3.25Å; H603-H607 PolarHBondContact O-N 3.16Å; L604-H607 WeakPolarHBondContact O-CB 3.35Å; L604-H607 PolarHBondContact O-N 3.44Å; Q605-H607 VanDerWaalsContact C-N 3.28Å; Q605-H607 PolarHBondContact O-N 3.2Å; H607-E610 PolarHBondContact O-N 3.44Å; H607-L611 PolarHBondContact O-N 3.21Å
608	I	98.1	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-44.8	176.3	-74.5	165.6	0	0	0	110.9	F509 F569 A572 M576 L604 Q605 E610 L611 A612 F621	F509-I608 HydrophobicContact CE2-CG2 4.07Å; F569-I608 HydrophobicContact CD2-CG1 4.48Å; F569-I608 HydrophobicContact CE2-CG1 4.05Å; A572-I608 HydrophobicContact CB-CD1 3.49Å; A572-I608 VanDerWaalsContact CB-CD1 3.49Å; M576-I608 HydrophobicContact CE-CG2 4.42Å; M576-I608 HydrophobicContact SD-CB 3.73Å; M576-I608 HydrophobicContact SD-CD1 3.8Å; M576-I608 HydrophobicContact SD-CG1 4.38Å; M576-I608 HydrophobicContact SD-CG2 3.64Å; L604-I608 HydrophobicContact CD1-CD1 4.49Å; L604-I608 HydrophobicContact CG-CD1 4.29Å; L604-I608 PolarHBondContact O-N 3.18Å; Q605-I608 PolarHBondContact O-N 2.98Å; I608-E610 VanDerWaalsContact C-N 3.34Å; I608-E610 PolarHBondContact O-N 3.08Å; I608-L611 PolarHBondContact O-N 3.38Å; I608-A612 WeakPolarHBondContact O-CB 3.28Å; I608-A612 PolarHBondContact O-N 3.01Å; I608-F621 HydrophobicContact CG2-CD1 4.07Å; I608-F621 HydrophobicContact CG2-CE1 4.01Å
609	L	98.2	Very high	96.7	Very high	17 Å²	17	47.4 Å²	47.4	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-36.8	177	-70.4	172.4	0	0	0	112.6	M576 Q605 K606 A612 S613 R618 F621	M576-L609 HydrophobicContact CE-CD1 3.98Å; M576-L609 HydrophobicContact CE-CD2 4.06Å; M576-L609 HydrophobicContact CE-CG 3.68Å; Q605-L609 PolarHBondContact O-N 3.24Å; K606-L609 PolarHBondContact O-N 2.95Å; L609-A612 PolarHBondContact O-N 2.57Å; L609-S613 WeakPolarHBondContact O-CB 3.48Å; L609-S613 PolarHBondContact O-N 2.97Å; L609-S613 PolarHBondContact O-OG 3.08Å; L609-R618 HydrophobicContact CD2-CG 4.29Å; L609-F621 HydrophobicContact CD2-CB 3.74Å
610	E	98.2	Very high	96.9	Very high	84 Å²	84	48.8 Å²	48.8	39%	0.393	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-43.8	174.8	-175	61.8	-156.6	0	0	111.2	Y529 K606 H607 I608 A612 S613 I614	Y529-E610 HydrophobicContact CE1-CB 4.17Å; Y529-E610 HydrophobicContact CE1-CG 4.18Å; Y529-E610 HydrophobicContact CE2-CG 4.05Å; Y529-E610 WeakPolarHBondContact OH-CB 3.33Å; Y529-E610 WeakPolarHBondContact OH-CG 3.48Å; K606-E610 WeakPolarHBondContact O-CB 3.43Å; K606-E610 PolarHBondContact O-N 3.4Å; H607-E610 PolarHBondContact O-N 3.44Å; I608-E610 VanDerWaalsContact C-N 3.34Å; I608-E610 PolarHBondContact O-N 3.08Å; E610-A612 VanDerWaalsContact C-N 3.31Å; E610-A612 PolarHBondContact O-N 3.4Å; E610-S613 WeakPolarHBondContact O-CA 3.41Å; E610-S613 WeakPolarHBondContact O-CB 3.32Å; E610-S613 PolarHBondContact O-N 3.06Å; E610-I614 WeakPolarHBondContact O-CG1 3.47Å; E610-I614 PolarHBondContact O-N 2.92Å
611	L	98.3	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-43.9	173.5	179.8	60.5	0	0	0	111.2	F509 C526 Y529 I533 F569 H607 I608 S613 I614 L615	F509-L611 HydrophobicContact CD1-CD2 4.07Å; F509-L611 HydrophobicContact CD1-CG 4.3Å; F509-L611 HydrophobicContact CD2-CD2 4.16Å; F509-L611 HydrophobicContact CE1-CD2 4.1Å; F509-L611 HydrophobicContact CE1-CG 3.97Å; F509-L611 HydrophobicContact CE2-CD2 4.17Å; F509-L611 HydrophobicContact CG-CD2 4.11Å; F509-L611 HydrophobicContact CZ-CB 4.46Å; F509-L611 HydrophobicContact CZ-CD2 4.14Å; F509-L611 HydrophobicContact CZ-CG 4.15Å; C526-L611 HydrophobicContact CB-CD1 3.96Å; Y529-L611 HydrophobicContact CD1-CB 4.03Å; Y529-L611 HydrophobicContact CD1-CD1 4.18Å; Y529-L611 HydrophobicContact CE1-CB 4.14Å; I533-L611 HydrophobicContact CD1-CB 4.48Å; I533-L611 HydrophobicContact CD1-CD2 4.33Å; F569-L611 HydrophobicContact CE2-CD2 4.31Å; F569-L611 HydrophobicContact CZ-CD2 3.87Å; H607-L611 PolarHBondContact O-N 3.21Å; I608-L611 PolarHBondContact O-N 3.38Å; L611-S613 VanDerWaalsContact C-N 3.26Å; L611-S613 PolarHBondContact O-N 2.63Å; L611-I614 PolarHBondContact O-N 3.2Å; L611-L615 HydrophobicContact CD1-CD1 4.27Å; L611-L615 HydrophobicContact CG-CD1 4.26Å; L611-L615 WeakPolarHBondContact O-CD1 3.17Å; L611-L615 WeakPolarHBondContact O-CG 3.4Å; L611-L615 PolarHBondContact O-N 2.92Å
612	A	97.9	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-33.6	174.2	0	0	0	0	0	112.5	F509 I608 L609 E610 L615 D616 V617 R618 F621	F509-A612 HydrophobicContact CZ-CB 4.09Å; I608-A612 WeakPolarHBondContact O-CB 3.28Å; I608-A612 PolarHBondContact O-N 3.01Å; L609-A612 PolarHBondContact O-N 2.57Å; E610-A612 VanDerWaalsContact C-N 3.31Å; E610-A612 PolarHBondContact O-N 3.4Å; A612-L615 CarbonylContact O-C 3.55Å; A612-L615 PolarHBondContact O-N 3.28Å; A612-D616 PolarHBondContact O-N 3.42Å; A612-V617 HydrophobicContact CB-CG2 4.1Å; A612-V617 PolarHBondContact O-N 2.91Å; A612-R618 HydrophobicContact CB-CB 4.42Å; A612-R618 PolarHBondContact O-N 3.21Å; A612-F621 HydrophobicContact CB-CD2 3.62Å; A612-F621 HydrophobicContact CB-CE2 3.65Å
613	S	97.8	Very high	96.1	Very high	45 Å²	45	51.4 Å²	51.4	32%	0.315	25%	0.251	S	S	.	.	H	α-helix	trans	-71.6	-39.2	178.1	-54.9	0	0	0	0	111.8	L609 E610 L611 L615 D616 R618	L609-S613 WeakPolarHBondContact O-CB 3.48Å; L609-S613 PolarHBondContact O-N 2.97Å; L609-S613 PolarHBondContact O-OG 3.08Å; E610-S613 WeakPolarHBondContact O-CA 3.41Å; E610-S613 WeakPolarHBondContact O-CB 3.32Å; E610-S613 PolarHBondContact O-N 3.06Å; L611-S613 VanDerWaalsContact C-N 3.26Å; L611-S613 PolarHBondContact O-N 2.63Å; S613-L615 PolarHBondContact O-N 3.48Å; S613-L615 VanDerWaalsContact O-N 3.16Å; S613-D616 PolarHBondContact O-N 3.23Å; S613-R618 WeakPolarHBondContact OG-CD 3.39Å; S613-R618 PolarHBondContact OG-NH1 2.71Å
614	I	97.6	Very high	94.5	Very high	34 Å²	34	53.3 Å²	53.3	17%	0.174	26%	0.264	C	S	.	.	H	α-helix	trans	-57.5	-29.3	172.1	-65.9	167	0	0	0	111.1	L522 K525 Y529 E610 L611	L522-I614 HydrophobicContact CD1-CG2 3.8Å; K525-I614 HydrophobicContact CD-CG2 4.16Å; Y529-I614 HydrophobicContact CD1-CD1 4.25Å; Y529-I614 HydrophobicContact CD2-CD1 4.14Å; Y529-I614 HydrophobicContact CG-CD1 3.97Å; E610-I614 WeakPolarHBondContact O-CG1 3.47Å; E610-I614 PolarHBondContact O-N 2.92Å; L611-I614 PolarHBondContact O-N 3.2Å
615	L	96.8	Very high	92.2	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.079	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.8	-175.3	-67.6	171.8	0	0	0	114.3	F509 L510 L515 M518 L522 C526 L611 A612 S613 V617	F509-L615 HydrophobicContact CD1-CD1 3.77Å; F509-L615 HydrophobicContact CE1-CD1 3.61Å; L510-L615 HydrophobicContact CD2-CD1 3.49Å; L510-L615 VanDerWaalsContact CD2-CD1 3.49Å; L510-L615 HydrophobicContact CD2-CD2 3.8Å; L510-L615 HydrophobicContact CD2-CG 4.28Å; L515-L615 HydrophobicContact CD1-CD2 4.5Å; M518-L615 HydrophobicContact CE-CD2 3.13Å; L522-L615 HydrophobicContact CD2-CD2 4.13Å; L522-L615 HydrophobicContact CG-CD2 4.3Å; C526-L615 VanDerWaalsContact SG-CD2 3.55Å; L611-L615 HydrophobicContact CD1-CD1 4.27Å; L611-L615 HydrophobicContact CG-CD1 4.26Å; L611-L615 WeakPolarHBondContact O-CD1 3.17Å; L611-L615 WeakPolarHBondContact O-CG 3.4Å; L611-L615 PolarHBondContact O-N 2.92Å; A612-L615 CarbonylContact O-C 3.55Å; A612-L615 PolarHBondContact O-N 3.28Å; S613-L615 PolarHBondContact O-N 3.48Å; S613-L615 VanDerWaalsContact O-N 3.16Å; L615-V617 HydrophobicContact CB-CG2 3.72Å; L615-V617 PolarHBondContact O-N 2.82Å
616	D	96.7	Very high	89.8	Confident	148 Å²	148	62.4 Å²	62.4	79%	0.791	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	35.2	-174.3	-159.4	31	0	0	0	114.2	A612 S613	A612-D616 PolarHBondContact O-N 3.42Å; S613-D616 PolarHBondContact O-N 3.23Å
617	V	97	Very high	87	Confident	11 Å²	11	62.1 Å²	62.1	7%	0.067	32%	0.321	C	S	.	.			trans	-122.7	20.3	178.7	-62.4	0	0	0	0	112.1	L515 A612 L615 N619 V620 F621	L515-V617 HydrophobicContact CD1-CG1 4.1Å; L515-V617 HydrophobicContact CD2-CG1 4.16Å; L515-V617 HydrophobicContact CG-CG1 4.16Å; A612-V617 HydrophobicContact CB-CG2 4.1Å; A612-V617 PolarHBondContact O-N 2.91Å; L615-V617 HydrophobicContact CB-CG2 3.72Å; L615-V617 PolarHBondContact O-N 2.82Å; V617-N619 PolarHBondContact O-N 3.37Å; V617-N619 VanDerWaalsContact O-N 3.15Å; V617-N619 PolarHBondContact O-OD1 2.91Å; V617-V620 HydrophobicContact CB-CG2 4.47Å; V617-V620 VanDerWaalsContact O-CG2 3.26Å; V617-V620 WeakPolarHBondContact O-CG2 3.35Å; V617-V620 PolarHBondContact O-N 3.17Å; V617-F621 HydrophobicContact CG2-CE2 4.43Å
618	R	96.7	Very high	84.1	Confident	88 Å²	88	68.7 Å²	68.7	33%	0.332	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-57.2	-32	-179.6	-168.6	-174.8	178.3	103.4	2.4	112.5	L609 A612 S613 V620 F621 E623	L609-R618 HydrophobicContact CD2-CG 4.29Å; A612-R618 HydrophobicContact CB-CB 4.42Å; A612-R618 PolarHBondContact O-N 3.21Å; S613-R618 WeakPolarHBondContact OG-CD 3.39Å; S613-R618 PolarHBondContact OG-NH1 2.71Å; R618-V620 PolarHBondContact O-N 2.96Å; R618-V620 VanDerWaalsContact O-N 3.14Å; R618-F621 PolarHBondContact O-N 2.96Å; R618-F621 VanDerWaalsContact O-N 3.08Å; R618-E623 WeakPolarHBondContact CD-OE1 3.22Å; R618-E623 IonicContact CZ-OE1 3.86Å; R618-E623 IonicContact NE-OE1 3.73Å; R618-E623 PolarHBondContact NE-OE1 3.19Å; R618-E623 IonicContact NH2-OE1 2.74Å
619	N	96.3	Very high	81	Confident	111 Å²	111	83.5 Å²	83.5	59%	0.594	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-60.8	-19.5	-179.3	66.4	-37.1	0	0	0	115	K578 V617	K578-N619 WeakPolarHBondContact CE-O 3.49Å; K578-N619 PolarHBondContact NZ-O 3.37Å; V617-N619 PolarHBondContact O-N 3.37Å; V617-N619 VanDerWaalsContact O-N 3.15Å; V617-N619 PolarHBondContact O-OD1 2.91Å
620	V	96.6	Very high	80.1	Confident	35 Å²	35	86.8 Å²	86.8	21%	0.212	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-86.9	-4.8	176.8	-55.8	0	0	0	0	113.7	H577 K578 V617 R618	H577-V620 WeakPolarHBondContact NE2-CG2 3.25Å; K578-V620 WeakPolarHBondContact CB-O 3.4Å; K578-V620 VanDerWaalsContact CG-O 3.25Å; K578-V620 WeakPolarHBondContact CG-O 3.48Å; K578-V620 PolarHBondContact N-O 3.42Å; V617-V620 HydrophobicContact CB-CG2 4.47Å; V617-V620 VanDerWaalsContact O-CG2 3.26Å; V617-V620 WeakPolarHBondContact O-CG2 3.35Å; V617-V620 PolarHBondContact O-N 3.17Å; R618-V620 PolarHBondContact O-N 2.96Å; R618-V620 VanDerWaalsContact O-N 3.14Å
621	F	96.9	Very high	79.1	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	43%	0.433	C	S	.	.	B	Isolated β-bridge	trans	-107.9	149.2	178.8	-63.4	-86.7	0	0	0	111.8	F509 T573 M576 H577 K578 I608 L609 A612 V617 R618	F509-F621 HydrophobicContact CD2-CZ 4.42Å; F509-F621 HydrophobicContact CE1-CE2 4.35Å; F509-F621 HydrophobicContact CE1-CZ 4.19Å; F509-F621 HydrophobicContact CE2-CE1 4.04Å; F509-F621 HydrophobicContact CE2-CE2 4.31Å; F509-F621 AromaticContact CE2-CZ 3.52Å; F509-F621 HydrophobicContact CE2-CZ 3.52Å; F509-F621 HydrophobicContact CZ-CE1 4.26Å; F509-F621 AromaticContact CZ-CE2 3.71Å; F509-F621 HydrophobicContact CZ-CE2 3.71Å; F509-F621 AromaticContact CZ-CZ 3.38Å; F509-F621 HydrophobicContact CZ-CZ 3.38Å; T573-F621 HydrophobicContact CG2-CE1 4.08Å; T573-F621 HydrophobicContact CG2-CZ 4.48Å; M576-F621 HydrophobicContact CB-CD1 3.92Å; M576-F621 CarbonylContact O-C 3.5Å; M576-F621 WeakPolarHBondContact O-CA 3.42Å; H577-F621 HydrophobicContact CB-CD1 4.06Å; H577-F621 HydrophobicContact CB-CE1 3.9Å; H577-F621 AromaticContact CD2-CE1 3.73Å; H577-F621 AromaticContact CD2-CZ 3.75Å; K578-F621 WeakPolarHBondContact CE-O 3.48Å; I608-F621 HydrophobicContact CG2-CD1 4.07Å; I608-F621 HydrophobicContact CG2-CE1 4.01Å; L609-F621 HydrophobicContact CD2-CB 3.74Å; A612-F621 HydrophobicContact CB-CD2 3.62Å; A612-F621 HydrophobicContact CB-CE2 3.65Å; V617-F621 HydrophobicContact CG2-CE2 4.43Å; R618-F621 PolarHBondContact O-N 2.96Å; R618-F621 VanDerWaalsContact O-N 3.08Å
622	F	92.8	Very high	78.1	Confident	95 Å²	95	91.8 Å²	91.8	42%	0.417	46%	0.457	S	S	.	.			trans	-69.4	135.5	170.5	-66.4	-71	0	0	0	110.3	M576 K578	M576-F622 VanDerWaalsContact O-CD2 3.28Å; M576-F622 WeakPolarHBondContact O-CD2 3.28Å; M576-F622 PolarHBondContact O-N 3.47Å; K578-F622 HydrophobicContact CB-CE2 4.4Å; K578-F622 HydrophobicContact CB-CZ 4.23Å; K578-F622 HydrophobicContact CG-CD1 4Å; K578-F622 HydrophobicContact CG-CD2 4.25Å; K578-F622 HydrophobicContact CG-CE1 3.86Å; K578-F622 HydrophobicContact CG-CE2 4.12Å; K578-F622 HydrophobicContact CG-CG 4.19Å; K578-F622 HydrophobicContact CG-CZ 3.92Å
623	E	79.1	Confident	76.9	Confident	116 Å²	116	97.2 Å²	97.2	54%	0.542	48%	0.484	S	S	.	.			trans	-96.2	-9.6	-179.3	-61	-165.6	133.5	0	0	113.3	R618 T625	R618-E623 WeakPolarHBondContact CD-OE1 3.22Å; R618-E623 IonicContact CZ-OE1 3.86Å; R618-E623 IonicContact NE-OE1 3.73Å; R618-E623 PolarHBondContact NE-OE1 3.19Å; R618-E623 IonicContact NH2-OE1 2.74Å; E623-T625 PolarHBondContact O-N 2.88Å
624	N	62.4	Low	75.6	Confident	131 Å²	131	100.4 Å²	100.4	70%	0.701	50%	0.495	S	S	*	.			trans	-76.2	113.5	-173.4	-67.1	4.1	0	0	0	110.6
625	T	48.1	Very low	74.1	Confident	98 Å²	98	104.9 Å²	104.9	60%	0.601	52%	0.516	S	S	*	.			trans	-56.4	132.9	146.7	41.2	0	0	0	0	108	E623 D627	E623-T625 PolarHBondContact O-N 2.88Å; T625-D627 VanDerWaalsContact C-N 3.32Å; T625-D627 PolarHBondContact O-N 3.4Å
626	I	44.6	Very low	72.5	Confident	126 Å²	126	111.3 Å²	111.3	65%	0.646	55%	0.547	S	S	*	.	S	Bend	trans	-60.2	92.1	176.6	-60.8	163.8	0	0	0	108.1
627	D	39.1	Very low	70.7	Confident	142 Å²	142	108.5 Å²	108.5	76%	0.759	53%	0.529	S	S	*	.			trans	-140.4	-0.3	167.5	-88	-36.4	0	0	0	113.2	T625	T625-D627 VanDerWaalsContact C-N 3.32Å; T625-D627 PolarHBondContact O-N 3.4Å
628	D	36.7	Very low	68.5	Low	147 Å²	147	116.6 Å²	116.6	79%	0.786	57%	0.567	S	S	*	*			trans	-124.3	79.3	174.6	-77.6	-34.3	0	0	0	110.6
629	Y	32.4	Very low	65.9	Low	310 Å²	310	119.2 Å²	119.2	100%	1.216	59%	0.588	S	S	*	*			trans	-151.8	0	152.9	-100.6	-73.2	0	0	0	111.7

Retrieved 629 of 629 residues in 1569.5 ms (Link to these results)

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