A0A5K4F8M1_SCHMA Loading...

Neprilysin-1-like

AlphaFold DB , UniProt , Accession A0A5K4F8M1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 679 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	30.9	Very low	242 Å²	242	147.4 Å²	147.4	100%	1.192	75%	0.753	S	S	*	*				0	136	0	-89.4	173.9	124.6	0	0	107.9
2	S	37.1	Very low	31	Very low	101 Å²	101	145.9 Å²	145.9	71%	0.706	76%	0.757	S	S	*	*			trans	71.5	113.1	160.9	100.8	0	0	0	0	116.8
3	T	33.3	Very low	30.8	Very low	114 Å²	114	143.6 Å²	143.6	70%	0.699	75%	0.754	S	S	*	*				94.9	142.9	77.9	62.1	0	0	0	0	109.6
4	D	34.2	Very low	31.1	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	76%	0.76	S	S	*	*			cis	-158.1	136.9	25.2	-80.1	-56.1	0	0	0	105.8
5	Q	30.2	Very low	30.8	Very low	145 Å²	145	144.3 Å²	144.3	68%	0.678	75%	0.751	S	S	*	*				46.5	99.9	59.7	-86.2	-164.1	-7.5	0	0	116.4	Y7	Q5-Y7 HydrophobicContact CB-CD2 4.38Å; Q5-Y7 HydrophobicContact CG-CD2 4.36Å; Q5-Y7 HydrophobicContact CG-CE2 4.35Å
6	L	34.4	Very low	30.7	Very low	173 Å²	173	147.6 Å²	147.6	91%	0.906	75%	0.752	S	S	*	*			trans	-152	93.2	144.1	-132.9	90.3	0	0	0	107.3
7	Y	28.6	Very low	30.6	Very low	156 Å²	156	145.5 Å²	145.5	61%	0.612	75%	0.748	S	S	*	*				70.5	136.7	69.8	-100.2	-76.3	0	0	0	117.1	Q5	Q5-Y7 HydrophobicContact CB-CD2 4.38Å; Q5-Y7 HydrophobicContact CG-CD2 4.36Å; Q5-Y7 HydrophobicContact CG-CE2 4.35Å
8	F	30.5	Very low	30.4	Very low	170 Å²	170	143.5 Å²	143.5	75%	0.746	75%	0.749	S	S	*	*			trans	90.2	100.3	167	-70.3	-91.4	0	0	0	117.2
9	T	26.7	Very low	30.5	Very low	97 Å²	97	142.5 Å²	142.5	60%	0.595	75%	0.749	S	S	*	*				54.4	136.6	69.7	71.2	0	0	0	0	111.6
10	T	27.3	Very low	30.3	Very low	101 Å²	101	143.2 Å²	143.2	62%	0.62	75%	0.75	S	S	*	*			cis	175.7	149.9	23.6	7.8	0	0	0	0	105.8
11	K	25.4	Very low	30.6	Very low	187 Å²	187	143.9 Å²	143.9	81%	0.813	75%	0.753	S	S	*	*			trans	59.5	132.6	145.3	-62.9	170.7	177.3	-178.7	0	116
12	T	32.4	Very low	30.5	Very low	130 Å²	130	140.9 Å²	140.9	80%	0.798	73%	0.73	S	S	*	*				-174.2	139.7	68.4	-44.9	0	0	0	0	110.3
13	T	28.1	Very low	30.1	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	73%	0.73	S	S	*	*			trans	-45.1	132.4	166.8	-34.8	0	0	0	0	116.5
14	I	36.2	Very low	30	Very low	165 Å²	165	145.2 Å²	145.2	85%	0.846	74%	0.738	S	S	*	*			trans	-153.9	96.4	149.9	-57	-176.2	0	0	0	105.5
15	Q	26	Very low	29.7	Very low	133 Å²	133	147.3 Å²	147.3	62%	0.621	74%	0.741	S	S	*	*				62.6	111.5	68.5	-121	-175.4	4.1	0	0	115.3
16	Y	28.4	Very low	29.6	Very low	197 Å²	197	145.1 Å²	145.1	77%	0.773	74%	0.742	S	S	*	*			trans	108.4	136.6	144	-71.8	-72.1	0	0	0	122.6
17	V	29.9	Very low	29.3	Very low	112 Å²	112	141.9 Å²	141.9	68%	0.679	73%	0.732	S	S	*	*			trans	99.7	86	148.4	-160.8	0	0	0	0	118.9
18	S	26.1	Very low	29.4	Very low	109 Å²	109	140.6 Å²	140.6	76%	0.762	75%	0.745	S	S	*	*				-2.9	117.2	126	49.5	0	0	0	0	118.4
19	V	34	Very low	29.5	Very low	124 Å²	124	141.2 Å²	141.2	75%	0.752	75%	0.749	S	S	*	*			trans	-133.7	109.9	150.9	178.1	0	0	0	0	109.4	I21	V19-I21 HydrophobicContact CG1-CG1 4.25Å; V19-I21 PolarHBondContact O-N 3.15Å
20	M	25.8	Very low	29.6	Very low	156 Å²	156	139.8 Å²	139.8	77%	0.768	75%	0.754	S	S	*	*			trans	-50.6	121.7	160	-76.9	-90.2	-134.8	0	0	110.8	Y22	M20-Y22 HydrophobicContact CE-CE2 4.37Å; M20-Y22 HydrophobicContact SD-CE2 4.34Å
21	I	35.7	Very low	29.7	Very low	159 Å²	159	142.4 Å²	142.4	82%	0.815	76%	0.763	S	S	*	*			trans	-124.5	109.3	156.2	-62.5	-177.6	0	0	0	107.7	V19	V19-I21 HydrophobicContact CG1-CG1 4.25Å; V19-I21 PolarHBondContact O-N 3.15Å
22	Y	31	Very low	30.1	Very low	179 Å²	179	137.9 Å²	137.9	70%	0.702	76%	0.76	S	S	*	*			trans	-61.3	142.8	177.7	-99	-101.8	0	0	0	112.6	M20	M20-Y22 HydrophobicContact CE-CE2 4.37Å; M20-Y22 HydrophobicContact SD-CE2 4.34Å
23	F	27.5	Very low	30	Very low	164 Å²	164	138.9 Å²	138.9	72%	0.719	76%	0.76	S	S	*	*			trans	-9.5	117	152.5	-76.8	-87.1	0	0	0	117.2	F25	F23-F25 AromaticContact CD1-CD2 3.44Å; F23-F25 HydrophobicContact CD1-CD2 3.44Å; F23-F25 VanDerWaalsContact CD1-CD2 3.44Å; F23-F25 AromaticContact CD1-CE2 3.43Å; F23-F25 HydrophobicContact CD1-CE2 3.43Å; F23-F25 VanDerWaalsContact CD1-CE2 3.43Å; F23-F25 AromaticContact CE1-CD2 3.95Å; F23-F25 HydrophobicContact CE1-CD2 3.95Å; F23-F25 AromaticContact CE1-CE2 3.4Å; F23-F25 HydrophobicContact CE1-CE2 3.4Å; F23-F25 HydrophobicContact CE1-CZ 4.33Å; F23-F25 HydrophobicContact CG-CD2 4.44Å
24	V	31.3	Very low	30.2	Very low	142 Å²	142	137.7 Å²	137.7	86%	0.861	76%	0.756	S	S	*	*			trans	-115	92.6	145.7	179.3	0	0	0	0	107.2
25	F	28.4	Very low	29.9	Very low	178 Å²	178	138.7 Å²	138.7	78%	0.781	76%	0.757	S	S	*	*			trans	-70.1	114.4	156.6	-95.6	-84.3	0	0	0	107.7	F23	F23-F25 AromaticContact CD1-CD2 3.44Å; F23-F25 HydrophobicContact CD1-CD2 3.44Å; F23-F25 VanDerWaalsContact CD1-CD2 3.44Å; F23-F25 AromaticContact CD1-CE2 3.43Å; F23-F25 HydrophobicContact CD1-CE2 3.43Å; F23-F25 VanDerWaalsContact CD1-CE2 3.43Å; F23-F25 AromaticContact CE1-CD2 3.95Å; F23-F25 HydrophobicContact CE1-CD2 3.95Å; F23-F25 AromaticContact CE1-CE2 3.4Å; F23-F25 HydrophobicContact CE1-CE2 3.4Å; F23-F25 HydrophobicContact CE1-CZ 4.33Å; F23-F25 HydrophobicContact CG-CD2 4.44Å
26	S	28	Very low	30.2	Very low	100 Å²	100	137.8 Å²	137.8	70%	0.699	76%	0.761	S	S	*	*			trans	-168.5	121.3	133	-144.5	0	0	0	0	112.2
27	C	27.2	Very low	30.2	Very low	104 Å²	104	138 Å²	138	70%	0.703	76%	0.76	S	S	*	*			trans	57.8	80.2	142.1	-66.8	0	0	0	0	119.2
28	C	32.6	Very low	30.4	Very low	130 Å²	130	140.5 Å²	140.5	88%	0.878	77%	0.769	S	S	*	*			trans	-137.5	115	133.1	-108	0	0	0	0	107.6	G30	C28-G30 PolarHBondContact O-N 2.96Å
29	H	30.6	Very low	30.5	Very low	182 Å²	182	141.6 Å²	141.6	84%	0.843	76%	0.761	S	S	*	*			trans	-60.5	87.7	177.4	-82.3	56.9	0	0	0	109.4	I31	H29-I31 PolarHBondContact O-N 3.05Å; H29-I31 VanDerWaalsContact O-N 3.13Å
30	G	30.4	Very low	30.3	Very low	67 Å²	67	141.4 Å²	141.4	69%	0.691	76%	0.756	S	S	*	*			trans	-63.7	106.6	155.5	0	0	0	0	0	106.9	C28 A32	C28-G30 PolarHBondContact O-N 2.96Å; G30-A32 PolarHBondContact O-N 3.34Å
31	I	29.5	Very low	30.9	Very low	156 Å²	156	138.7 Å²	138.7	80%	0.8	76%	0.759	S	S	*	*			trans	-62.5	75.8	154.6	-58.7	169.8	0	0	0	105.2	H29 L33	H29-I31 PolarHBondContact O-N 3.05Å; H29-I31 VanDerWaalsContact O-N 3.13Å; I31-L33 PolarHBondContact O-N 2.8Å
32	A	32	Very low	31.2	Very low	92 Å²	92	135.3 Å²	135.3	76%	0.76	75%	0.746	S	S	*	*			trans	-69.5	95.6	159.3	0	0	0	0	0	103.7	G30 S34	G30-A32 PolarHBondContact O-N 3.34Å; A32-S34 PolarHBondContact O-N 2.67Å
33	L	31.3	Very low	31.6	Very low	151 Å²	151	132.8 Å²	132.8	79%	0.791	75%	0.749	S	S	*	*			trans	-36	107.3	163	-74	160.4	0	0	0	106.7	I31 Q35	I31-L33 PolarHBondContact O-N 2.8Å; L33-Q35 PolarHBondContact O-N 3.35Å
34	S	31.4	Very low	32.5	Very low	91 Å²	91	127.6 Å²	127.6	64%	0.636	74%	0.742	S	S	*	*			trans	-50.9	115.5	171.8	52.9	0	0	0	0	105.2	A32 T36	A32-S34 PolarHBondContact O-N 2.67Å; S34-T36 PolarHBondContact O-N 2.86Å
35	Q	31.3	Very low	33.2	Very low	186 Å²	186	128 Å²	128	87%	0.869	74%	0.738	S	S	*	*			trans	-58	82.8	152.4	-71.2	176.5	-13	0	0	104.7	L33 R37	L33-Q35 PolarHBondContact O-N 3.35Å; Q35-R37 PolarHBondContact O-N 3.39Å
36	T	31.9	Very low	34.5	Very low	114 Å²	114	123.1 Å²	123.1	70%	0.699	72%	0.718	S	S	*	*			trans	-58.8	99.1	163.6	34.5	0	0	0	0	103.8	S34 I38	S34-T36 PolarHBondContact O-N 2.86Å; T36-I38 PolarHBondContact O-N 3.18Å
37	R	28.4	Very low	36.5	Very low	201 Å²	201	123.4 Å²	123.4	76%	0.758	72%	0.715	S	S	*	*			trans	-31.2	107.4	163.6	-68.4	173.8	-178.6	-172.9	3.6	107.8	Q35 Q39	Q35-R37 PolarHBondContact O-N 3.39Å; R37-Q39 HydrophobicContact CB-CB 4.1Å; R37-Q39 HydrophobicContact CB-CG 4.09Å; R37-Q39 PolarHBondContact O-N 2.79Å
38	I	34.2	Very low	39.3	Very low	166 Å²	166	122.4 Å²	122.4	85%	0.851	70%	0.701	S	S	*	*			trans	-71.7	67.5	151.8	-55.7	175.4	0	0	0	104.3	T36	T36-I38 PolarHBondContact O-N 3.18Å
39	Q	28.4	Very low	42.3	Very low	131 Å²	131	120.2 Å²	120.2	61%	0.612	68%	0.681	S	S	*	*			trans	-99.8	106.2	163.2	-83.9	-174.6	-28.5	0	0	104.8	R37	R37-Q39 HydrophobicContact CB-CB 4.1Å; R37-Q39 HydrophobicContact CB-CG 4.09Å; R37-Q39 PolarHBondContact O-N 2.79Å
40	N	30.2	Very low	45.4	Very low	121 Å²	121	112.7 Å²	112.7	65%	0.647	65%	0.648	S	S	*	*			trans	64.8	73.4	161.7	-56	-16.8	0	0	0	116.2	T42	N40-T42 PolarHBondContact O-N 3.3Å
41	A	38.1	Very low	48.6	Very low	99 Å²	99	109.9 Å²	109.9	82%	0.818	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	26.9	160.5	0	0	0	0	0	113.9
42	T	40.9	Very low	51.8	Low	88 Å²	88	107.6 Å²	107.6	54%	0.54	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.2	7.7	-178	38.4	0	0	0	0	114.5	N40	N40-T42 PolarHBondContact O-N 3.3Å
43	T	40.7	Very low	54.8	Low	126 Å²	126	104.1 Å²	104.1	77%	0.773	57%	0.573	S	S	*	*			trans	-112.3	8.6	178.7	55.9	0	0	0	0	114.9	L45	T43-L45 PolarHBondContact O-N 2.81Å
44	G	45.2	Very low	57.9	Low	55 Å²	55	97 Å²	97	57%	0.567	54%	0.535	S	S	*	.	S	Bend	trans	-71.4	96.3	162.3	0	0	0	0	0	109.3	H46	G44-H46 PolarHBondContact O-N 3.36Å
45	L	46.6	Very low	61	Low	150 Å²	150	92.7 Å²	92.7	79%	0.785	51%	0.505	S	S	*	.			trans	-22.5	98.2	174.3	-161	76.5	0	0	0	112.6	T43 T47	T43-L45 PolarHBondContact O-N 2.81Å; L45-T47 VanDerWaalsContact C-N 3.25Å; L45-T47 HydrophobicContact CD2-CG2 3.9Å; L45-T47 HydrophobicContact CG-CG2 4.17Å; L45-T47 PolarHBondContact O-N 3.41Å
46	H	56.1	Low	64.1	Low	76 Å²	76	85.9 Å²	85.9	35%	0.352	47%	0.474	S	S	.	.			trans	-66.7	88.8	172.3	-68.3	-80.2	0	0	0	107.9	G44 M48 Y57	G44-H46 PolarHBondContact O-N 3.36Å; H46-M48 PolarHBondContact O-N 3.43Å; H46-Y57 HydrophobicContact CB-CD2 3.65Å; H46-Y57 HydrophobicContact CB-CE2 3.34Å; H46-Y57 AromaticContact CD2-CE2 3.84Å; H46-Y57 AromaticContact CD2-CZ 3.76Å; H46-Y57 AromaticContact CE1-CZ 3.98Å; H46-Y57 PolarHBondContact CE1-O 3.41Å; H46-Y57 AromaticContact CG-CD2 3.85Å; H46-Y57 AromaticContact CG-CE2 3.38Å; H46-Y57 AromaticContact CG-CZ 3.71Å; H46-Y57 AromaticContact ND1-CD2 3.86Å; H46-Y57 AromaticContact ND1-CE2 3.71Å; H46-Y57 AromaticContact ND1-CZ 3.83Å; H46-Y57 PolarHBondContact ND1-O 3Å; H46-Y57 AromaticContact NE2-CZ 3.95Å
47	T	69.5	Low	67.2	Low	106 Å²	106	82.6 Å²	82.6	65%	0.65	45%	0.449	S	S	*	.			trans	-72.2	-10	-179.4	48.5	0	0	0	0	113.1	L45	L45-T47 VanDerWaalsContact C-N 3.25Å; L45-T47 HydrophobicContact CD2-CG2 3.9Å; L45-T47 HydrophobicContact CG-CG2 4.17Å; L45-T47 PolarHBondContact O-N 3.41Å
48	M	87.1	Confident	70.5	Confident	82 Å²	82	73.4 Å²	73.4	40%	0.404	42%	0.416	S	S	.	.	S	Bend	trans	-97.4	136.1	-178.9	-61.6	-69.4	106.1	0	0	110.2	H46 L56 Y57	H46-M48 PolarHBondContact O-N 3.43Å; M48-L56 HydrophobicContact CB-CB 4.48Å; M48-L56 HydrophobicContact CG-CB 4.12Å; M48-Y57 WeakPolarHBondContact O-CD2 3.41Å
49	D	94.3	Very high	73.5	Confident	85 Å²	85	65.5 Å²	65.5	46%	0.455	38%	0.376	S	S	.	.			trans	-70	122.2	173.8	-176.4	-13.3	0	0	0	110.4	C51 E52 N53	D49-C51 PolarHBondContact O-N 3.13Å; D49-C51 VanDerWaalsContact O-N 3.16Å; D49-C51 VanDerWaalsContact OD1-CB 3.3Å; D49-C51 WeakPolarHBondContact OD1-CB 3.46Å; D49-C51 PolarHBondContact OD1-N 2.64Å; D49-E52 HydrophobicContact CB-CB 4.1Å; D49-E52 HydrophobicContact CB-CG 3.93Å; D49-E52 PolarHBondContact O-N 2.75Å; D49-N53 PolarHBondContact O-N 3.05Å
50	P	96.5	Very high	76.6	Confident	24 Å²	24	61.5 Å²	61.5	16%	0.156	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.6	175.8	24.7	-34.6	0	0	0	113.5	F54 Y57 Y662 M670	P50-F54 HydrophobicContact CB-CD2 3.55Å; P50-F54 HydrophobicContact CB-CE2 3.85Å; P50-F54 PolarHBondContact O-N 3.1Å; P50-Y57 HydrophobicContact CB-CD1 4.33Å; P50-Y57 HydrophobicContact CB-CD2 3.99Å; P50-Y57 HydrophobicContact CB-CE2 4.37Å; P50-Y57 HydrophobicContact CB-CG 3.98Å; P50-Y57 HydrophobicContact CG-CD2 4.28Å; P50-Y57 HydrophobicContact CG-CE2 4.37Å; P50-Y662 HydrophobicContact CB-CD1 3.72Å; P50-Y662 HydrophobicContact CB-CE1 4.2Å; P50-Y662 HydrophobicContact CB-CG 4.34Å; P50-Y662 HydrophobicContact CG-CD1 3.82Å; P50-Y662 HydrophobicContact CG-CE1 4.49Å; P50-M670 WeakPolarHBondContact O-CG 3.39Å
51	C	97.7	Very high	79.6	Confident	7 Å²	7	60.1 Å²	60.1	5%	0.047	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-16.6	-178.6	-58	0	0	0	0	114	D49 C664 M670	D49-C51 PolarHBondContact O-N 3.13Å; D49-C51 VanDerWaalsContact O-N 3.16Å; D49-C51 VanDerWaalsContact OD1-CB 3.3Å; D49-C51 WeakPolarHBondContact OD1-CB 3.46Å; D49-C51 PolarHBondContact OD1-N 2.64Å; C51-C664 WeakPolarHBondContact CA-SG 3.29Å; C51-C664 HydrophobicContact CB-CB 3.63Å; C51-C664 WeakPolarHBondContact CB-SG 3.29Å; C51-C664 WeakPolarHBondContact SG-CA 3.45Å; C51-C664 WeakPolarHBondContact SG-CB 3.38Å; C51-C664 CovalentContact SG-SG 2.05Å; C51-C664 PolarHBondContact SG-SG 3.12Å; C51-M670 VanDerWaalsContact O-CB 3.23Å; C51-M670 WeakPolarHBondContact O-CB 3.07Å; C51-M670 VanDerWaalsContact O-CG 3.24Å; C51-M670 WeakPolarHBondContact O-CG 3.16Å; C51-M670 PolarHBondContact O-N 2.61Å
52	E	96	Very high	82.4	Confident	108 Å²	108	58 Å²	58	51%	0.505	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-46.5	171.5	-72.6	-60.8	129.6	0	0	111.2	D49 P669	D49-E52 HydrophobicContact CB-CB 4.1Å; D49-E52 HydrophobicContact CB-CG 3.93Å; D49-E52 PolarHBondContact O-N 2.75Å; E52-P669 WeakPolarHBondContact O-CB 3.48Å; E52-P669 WeakPolarHBondContact OE1-CD 3.49Å; E52-P669 WeakPolarHBondContact OE2-CG 3.32Å
53	N	94.9	Very high	84.9	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.107	30%	0.301	C	S	.	.			trans	-159.1	92.9	179.9	-171.5	-28	0	0	0	112.3	D49 Y55 L56 Y57 R645	D49-N53 PolarHBondContact O-N 3.05Å; N53-Y55 VanDerWaalsContact C-N 3.27Å; N53-Y55 PolarHBondContact O-N 2.05Å; N53-Y55 PolarHBondContact OD1-N 3.45Å; N53-L56 HydrophobicContact CB-CB 4.33Å; N53-L56 HydrophobicContact CB-CD1 4.19Å; N53-L56 HydrophobicContact CB-CG 4.31Å; N53-L56 VanDerWaalsContact ND2-CD1 3.28Å; N53-L56 WeakPolarHBondContact ND2-CD1 3.19Å; N53-L56 WeakPolarHBondContact ND2-CG 3.3Å; N53-L56 PolarHBondContact O-N 3.2Å; N53-L56 VanDerWaalsContact O-N 3.12Å; N53-L56 PolarHBondContact OD1-N 2.99Å; N53-L56 VanDerWaalsContact OD1-N 3.17Å; N53-Y57 PolarHBondContact O-N 2.91Å; N53-Y57 VanDerWaalsContact O-N 3.11Å; N53-R645 VanDerWaalsContact ND2-CZ 3.25Å; N53-R645 PolarHBondContact ND2-NE 3.33Å; N53-R645 PolarHBondContact ND2-NH2 2.93Å
54	F	97.2	Very high	87.3	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-30	-176.6	-162.3	-101.5	0	0	0	114.4	P50 Y57 A58 F616 A620 L652 F658 Y662 M670	P50-F54 HydrophobicContact CB-CD2 3.55Å; P50-F54 HydrophobicContact CB-CE2 3.85Å; P50-F54 PolarHBondContact O-N 3.1Å; F54-Y57 HydrophobicContact CD2-CD1 4.01Å; F54-Y57 HydrophobicContact CD2-CG 4.45Å; F54-Y57 AromaticContact CE2-CD1 3.57Å; F54-Y57 HydrophobicContact CE2-CD1 3.57Å; F54-Y57 AromaticContact CE2-CE1 3.95Å; F54-Y57 HydrophobicContact CE2-CE1 3.95Å; F54-Y57 HydrophobicContact CE2-CG 4.38Å; F54-Y57 HydrophobicContact CZ-CD1 4.02Å; F54-Y57 HydrophobicContact CZ-CE1 4.29Å; F54-Y57 WeakPolarHBondContact O-CB 3.21Å; F54-Y57 PolarHBondContact O-N 3.32Å; F54-A58 HydrophobicContact CE1-CB 4.32Å; F54-A58 WeakPolarHBondContact O-CB 3.43Å; F54-A58 PolarHBondContact O-N 3.25Å; F54-F616 HydrophobicContact CE1-CB 4.4Å; F54-F616 HydrophobicContact CZ-CB 4.41Å; F54-A620 HydrophobicContact CD1-CB 3.86Å; F54-A620 HydrophobicContact CE1-CB 3.71Å; F54-L652 HydrophobicContact CB-CD1 4.21Å; F54-L652 HydrophobicContact CD1-CD1 3.24Å; F54-L652 HydrophobicContact CE1-CD1 3.85Å; F54-L652 HydrophobicContact CG-CD1 3.94Å; F54-F658 HydrophobicContact CB-CE2 4.29Å; F54-F658 HydrophobicContact CB-CZ 3.93Å; F54-F658 HydrophobicContact CD1-CE2 4.01Å; F54-F658 AromaticContact CD2-CE2 3.41Å; F54-F658 HydrophobicContact CD2-CE2 3.41Å; F54-F658 VanDerWaalsContact CD2-CE2 3.41Å; F54-F658 AromaticContact CD2-CZ 3.52Å; F54-F658 HydrophobicContact CD2-CZ 3.52Å; F54-F658 HydrophobicContact CE1-CE2 4.14Å; F54-F658 AromaticContact CE2-CE2 3.62Å; F54-F658 HydrophobicContact CE2-CE2 3.62Å; F54-F658 HydrophobicContact CE2-CZ 4.15Å; F54-F658 AromaticContact CG-CE2 3.61Å; F54-F658 HydrophobicContact CG-CE2 3.61Å; F54-F658 AromaticContact CG-CZ 3.72Å; F54-F658 HydrophobicContact CG-CZ 3.72Å; F54-F658 AromaticContact CZ-CE2 3.96Å; F54-F658 HydrophobicContact CZ-CE2 3.96Å; F54-Y662 HydrophobicContact CE2-CD1 4.02Å; F54-Y662 AromaticContact CE2-CD2 3.98Å; F54-Y662 HydrophobicContact CE2-CD2 3.98Å; F54-Y662 AromaticContact CE2-CE1 3.58Å; F54-Y662 HydrophobicContact CE2-CE1 3.58Å; F54-Y662 AromaticContact CE2-CE2 3.51Å; F54-Y662 HydrophobicContact CE2-CE2 3.51Å; F54-Y662 HydrophobicContact CE2-CG 4.21Å; F54-Y662 AromaticContact CE2-CZ 3.3Å; F54-Y662 HydrophobicContact CZ-CD2 4.43Å; F54-Y662 HydrophobicContact CZ-CE1 4.2Å; F54-Y662 AromaticContact CZ-CE2 3.61Å; F54-Y662 HydrophobicContact CZ-CE2 3.61Å; F54-Y662 AromaticContact CZ-CZ 3.48Å; F54-Y662 VanDerWaalsContact CZ-CZ 3.48Å; F54-Y662 WeakPolarHBondContact CZ-OH 3.31Å; F54-M670 HydrophobicContact CB-CE 3.59Å; F54-M670 HydrophobicContact CB-CG 4.49Å; F54-M670 HydrophobicContact CB-SD 4.19Å
55	Y	96.8	Very high	89.6	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-44.9	175	175.1	-88.9	0	0	0	111.3	N53 Y57 A58 C59 E63 G625 R645 V648	N53-Y55 VanDerWaalsContact C-N 3.27Å; N53-Y55 PolarHBondContact O-N 2.05Å; N53-Y55 PolarHBondContact OD1-N 3.45Å; Y55-Y57 VanDerWaalsContact C-N 3.32Å; Y55-A58 PolarHBondContact O-N 3.11Å; Y55-C59 HydrophobicContact CD1-CB 4.39Å; Y55-C59 HydrophobicContact CD2-CB 4.22Å; Y55-C59 HydrophobicContact CE1-CB 4Å; Y55-C59 HydrophobicContact CE2-CB 3.87Å; Y55-C59 VanDerWaalsContact CE2-SG 3.58Å; Y55-C59 HydrophobicContact CG-CB 4.48Å; Y55-C59 VanDerWaalsContact O-CB 3.24Å; Y55-C59 WeakPolarHBondContact O-CB 3.3Å; Y55-C59 PolarHBondContact O-N 3.19Å; Y55-E63 VanDerWaalsContact CE1-OE1 3.22Å; Y55-E63 WeakPolarHBondContact CE1-OE1 3.25Å; Y55-E63 VanDerWaalsContact CZ-OE1 3.3Å; Y55-E63 PolarHBondContact OH-OE1 3.27Å; Y55-G625 PolarHBondContact OH-N 3.29Å; Y55-G625 PolarHBondContact OH-O 2.89Å; Y55-R645 HydrophobicContact CD1-CB 3.73Å; Y55-R645 HydrophobicContact CD1-CG 3.67Å; Y55-R645 VanDerWaalsContact CD2-CA 3.47Å; Y55-R645 HydrophobicContact CD2-CB 4.08Å; Y55-R645 HydrophobicContact CE1-CB 3.92Å; Y55-R645 HydrophobicContact CE1-CG 4.3Å; Y55-R645 HydrophobicContact CE2-CB 4.21Å; Y55-R645 HydrophobicContact CG-CB 3.83Å; Y55-R645 HydrophobicContact CG-CG 3.8Å; Y55-V648 HydrophobicContact CD2-CB 4.08Å; Y55-V648 HydrophobicContact CD2-CG1 4.45Å; Y55-V648 HydrophobicContact CD2-CG2 3.99Å
56	L	95.8	Very high	91.8	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-37.9	177	-66.3	179.5	0	0	0	111.2	M48 N53 A58 T60	M48-L56 HydrophobicContact CB-CB 4.48Å; M48-L56 HydrophobicContact CG-CB 4.12Å; N53-L56 HydrophobicContact CB-CB 4.33Å; N53-L56 HydrophobicContact CB-CD1 4.19Å; N53-L56 HydrophobicContact CB-CG 4.31Å; N53-L56 VanDerWaalsContact ND2-CD1 3.28Å; N53-L56 WeakPolarHBondContact ND2-CD1 3.19Å; N53-L56 WeakPolarHBondContact ND2-CG 3.3Å; N53-L56 PolarHBondContact O-N 3.2Å; N53-L56 VanDerWaalsContact O-N 3.12Å; N53-L56 PolarHBondContact OD1-N 2.99Å; N53-L56 VanDerWaalsContact OD1-N 3.17Å; L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 3.12Å; L56-T60 WeakPolarHBondContact O-CB 3.46Å; L56-T60 PolarHBondContact O-N 3.25Å; L56-T60 PolarHBondContact O-OG1 2.85Å
57	Y	96.4	Very high	93.4	Very high	45 Å²	45	54 Å²	54	18%	0.176	27%	0.274	C	S	.	.	H	α-helix	trans	-56.1	-47.3	172.6	173.6	-90.2	0	0	0	112.2	H46 M48 P50 N53 F54 Y55 L617 Y662	H46-Y57 HydrophobicContact CB-CD2 3.65Å; H46-Y57 HydrophobicContact CB-CE2 3.34Å; H46-Y57 AromaticContact CD2-CE2 3.84Å; H46-Y57 AromaticContact CD2-CZ 3.76Å; H46-Y57 AromaticContact CE1-CZ 3.98Å; H46-Y57 PolarHBondContact CE1-O 3.41Å; H46-Y57 AromaticContact CG-CD2 3.85Å; H46-Y57 AromaticContact CG-CE2 3.38Å; H46-Y57 AromaticContact CG-CZ 3.71Å; H46-Y57 AromaticContact ND1-CD2 3.86Å; H46-Y57 AromaticContact ND1-CE2 3.71Å; H46-Y57 AromaticContact ND1-CZ 3.83Å; H46-Y57 PolarHBondContact ND1-O 3Å; H46-Y57 AromaticContact NE2-CZ 3.95Å; M48-Y57 WeakPolarHBondContact O-CD2 3.41Å; P50-Y57 HydrophobicContact CB-CD1 4.33Å; P50-Y57 HydrophobicContact CB-CD2 3.99Å; P50-Y57 HydrophobicContact CB-CE2 4.37Å; P50-Y57 HydrophobicContact CB-CG 3.98Å; P50-Y57 HydrophobicContact CG-CD2 4.28Å; P50-Y57 HydrophobicContact CG-CE2 4.37Å; N53-Y57 PolarHBondContact O-N 2.91Å; N53-Y57 VanDerWaalsContact O-N 3.11Å; F54-Y57 HydrophobicContact CD2-CD1 4.01Å; F54-Y57 HydrophobicContact CD2-CG 4.45Å; F54-Y57 AromaticContact CE2-CD1 3.57Å; F54-Y57 HydrophobicContact CE2-CD1 3.57Å; F54-Y57 AromaticContact CE2-CE1 3.95Å; F54-Y57 HydrophobicContact CE2-CE1 3.95Å; F54-Y57 HydrophobicContact CE2-CG 4.38Å; F54-Y57 HydrophobicContact CZ-CD1 4.02Å; F54-Y57 HydrophobicContact CZ-CE1 4.29Å; F54-Y57 WeakPolarHBondContact O-CB 3.21Å; F54-Y57 PolarHBondContact O-N 3.32Å; Y55-Y57 VanDerWaalsContact C-N 3.32Å; Y57-L617 HydrophobicContact CE1-CD1 4.21Å; Y57-Y662 HydrophobicContact CE1-CE1 4.16Å
58	A	97.1	Very high	94.1	Very high	8 Å²	8	50.8 Å²	50.8	7%	0.066	25%	0.252	C	S	.	.	H	α-helix	trans	-83.8	-34	-174	0	0	0	0	0	114.7	F54 Y55 L56 L617 A620	F54-A58 HydrophobicContact CE1-CB 4.32Å; F54-A58 WeakPolarHBondContact O-CB 3.43Å; F54-A58 PolarHBondContact O-N 3.25Å; Y55-A58 PolarHBondContact O-N 3.11Å; L56-A58 VanDerWaalsContact C-N 3.35Å; L56-A58 PolarHBondContact O-N 3.12Å; A58-L617 HydrophobicContact CB-CD1 3.77Å; A58-A620 HydrophobicContact CB-CB 3.65Å
59	C	97.1	Very high	93.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-114.2	-7.6	-165.6	-65.5	0	0	0	0	115.3	Y55 E61 W62 E63 C624	Y55-C59 HydrophobicContact CD1-CB 4.39Å; Y55-C59 HydrophobicContact CD2-CB 4.22Å; Y55-C59 HydrophobicContact CE1-CB 4Å; Y55-C59 HydrophobicContact CE2-CB 3.87Å; Y55-C59 VanDerWaalsContact CE2-SG 3.58Å; Y55-C59 HydrophobicContact CG-CB 4.48Å; Y55-C59 VanDerWaalsContact O-CB 3.24Å; Y55-C59 WeakPolarHBondContact O-CB 3.3Å; Y55-C59 PolarHBondContact O-N 3.19Å; C59-E61 VanDerWaalsContact C-N 3.34Å; C59-E61 PolarHBondContact O-N 3.16Å; C59-W62 PolarHBondContact O-N 3.14Å; C59-E63 WeakPolarHBondContact O-CG 3.24Å; C59-E63 PolarHBondContact O-N 3.19Å; C59-C624 WeakPolarHBondContact CA-SG 3.45Å; C59-C624 HydrophobicContact CB-CB 3.74Å; C59-C624 WeakPolarHBondContact CB-SG 3.48Å; C59-C624 WeakPolarHBondContact SG-CA 3.25Å; C59-C624 WeakPolarHBondContact SG-CB 3.5Å; C59-C624 CovalentContact SG-SG 2.04Å; C59-C624 PolarHBondContact SG-SG 2.93Å
60	T	95.1	Very high	92.3	Very high	48 Å²	48	53.7 Å²	53.7	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-45	-176.7	-68.9	0	0	0	0	112.4	L56 E63 R64	L56-T60 WeakPolarHBondContact O-CB 3.46Å; L56-T60 PolarHBondContact O-N 3.25Å; L56-T60 PolarHBondContact O-OG1 2.85Å; T60-E63 PolarHBondContact O-N 2.97Å; T60-R64 WeakPolarHBondContact O-CB 3.43Å; T60-R64 PolarHBondContact O-N 3.32Å
61	E	93.6	Very high	91.1	Very high	92 Å²	92	59 Å²	59	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-68.9	-38.2	179.1	-172.1	55.5	-147.6	0	0	111.4	C59 R64 N65	C59-E61 VanDerWaalsContact C-N 3.34Å; C59-E61 PolarHBondContact O-N 3.16Å; E61-R64 PolarHBondContact O-N 2.65Å; E61-R64 IonicContact OE2-CZ 3.49Å; E61-R64 IonicContact OE2-NE 2.85Å; E61-R64 IonicContact OE2-NH1 2.73Å; E61-R64 PolarHBondContact OE2-NH1 3.4Å; E61-N65 PolarHBondContact O-N 2.94Å; E61-N65 VanDerWaalsContact O-N 3.07Å; E61-N65 PolarHBondContact O-ND2 2.92Å; E61-N65 VanDerWaalsContact O-ND2 3.08Å; E61-N65 PolarHBondContact OE1-ND2 2.73Å
62	W	95.5	Very high	90.1	Very high	55 Å²	55	62.8 Å²	62.8	21%	0.208	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-45.6	174	-175.9	94.8	0	0	0	111.5	C59 R64 N65 N66 I75 N76 T77 Q80 C624	C59-W62 PolarHBondContact O-N 3.14Å; W62-R64 VanDerWaalsContact C-N 3.33Å; W62-R64 PolarHBondContact O-N 3.18Å; W62-N65 PolarHBondContact O-N 3.31Å; W62-N66 HydrophobicContact CD2-CB 4.42Å; W62-N66 HydrophobicContact CE3-CB 4.33Å; W62-N66 HydrophobicContact CH2-CB 3.99Å; W62-N66 HydrophobicContact CZ2-CB 4.11Å; W62-N66 HydrophobicContact CZ3-CB 4.11Å; W62-N66 WeakPolarHBondContact O-CB 3.23Å; W62-N66 PolarHBondContact O-N 3.43Å; W62-N66 PolarHBondContact O-ND2 3.04Å; W62-I75 HydrophobicContact CH2-CG1 4.19Å; W62-N76 VanDerWaalsContact CH2-C 3.49Å; W62-T77 HydrophobicContact CZ2-CG2 4.13Å; W62-Q80 HydrophobicContact CZ2-CB 4.35Å; W62-C624 HydrophobicContact CB-CB 4.32Å; W62-C624 HydrophobicContact CD2-CB 3.55Å; W62-C624 HydrophobicContact CE3-CB 3.48Å; W62-C624 VanDerWaalsContact CE3-CB 3.48Å; W62-C624 HydrophobicContact CG-CB 3.92Å; W62-C624 HydrophobicContact CZ3-CB 4.08Å
63	E	93.4	Very high	89.7	Confident	26 Å²	26	64.5 Å²	64.5	12%	0.121	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-38.3	177.7	-74.9	-166.7	175.1	0	0	112.1	Y55 C59 T60 N65 N66 R626	Y55-E63 VanDerWaalsContact CE1-OE1 3.22Å; Y55-E63 WeakPolarHBondContact CE1-OE1 3.25Å; Y55-E63 VanDerWaalsContact CZ-OE1 3.3Å; Y55-E63 PolarHBondContact OH-OE1 3.27Å; C59-E63 WeakPolarHBondContact O-CG 3.24Å; C59-E63 PolarHBondContact O-N 3.19Å; T60-E63 PolarHBondContact O-N 2.97Å; E63-N65 VanDerWaalsContact C-N 3.31Å; E63-N65 PolarHBondContact O-N 2.03Å; E63-N66 CarbonylContact O-C 3.57Å; E63-N66 VanDerWaalsContact O-C 3.28Å; E63-N66 PolarHBondContact O-N 2.84Å; E63-R626 WeakPolarHBondContact OE2-CD 3.47Å; E63-R626 IonicContact OE2-CZ 3.9Å; E63-R626 IonicContact OE2-NH1 3.92Å; E63-R626 PolarHBondContact OE2-NH1 3.35Å
64	R	92.2	Very high	89.4	Confident	165 Å²	165	66 Å²	66	62%	0.623	32%	0.323	S	S	*	.	H	α-helix	trans	-61	-42	175.9	-177.3	-175.3	-66.2	162.6	-6.2	111.5	T60 E61 W62 N66	T60-R64 WeakPolarHBondContact O-CB 3.43Å; T60-R64 PolarHBondContact O-N 3.32Å; E61-R64 PolarHBondContact O-N 2.65Å; E61-R64 IonicContact OE2-CZ 3.49Å; E61-R64 IonicContact OE2-NE 2.85Å; E61-R64 IonicContact OE2-NH1 2.73Å; E61-R64 PolarHBondContact OE2-NH1 3.4Å; W62-R64 VanDerWaalsContact C-N 3.33Å; W62-R64 PolarHBondContact O-N 3.18Å; R64-N66 VanDerWaalsContact C-N 3.31Å
65	N	93.4	Very high	89.2	Confident	103 Å²	103	66.4 Å²	66.4	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-81.1	-10.8	179.7	-66.8	-37.2	0	0	0	113.4	E61 W62 E63 P67	E61-N65 PolarHBondContact O-N 2.94Å; E61-N65 VanDerWaalsContact O-N 3.07Å; E61-N65 PolarHBondContact O-ND2 2.92Å; E61-N65 VanDerWaalsContact O-ND2 3.08Å; E61-N65 PolarHBondContact OE1-ND2 2.73Å; W62-N65 PolarHBondContact O-N 3.31Å; E63-N65 VanDerWaalsContact C-N 3.31Å; E63-N65 PolarHBondContact O-N 2.03Å; N65-P67 VanDerWaalsContact C-CD 3.49Å
66	N	92.8	Very high	89.2	Confident	26 Å²	26	67.3 Å²	67.3	14%	0.139	33%	0.33	C	S	.	.	S	Bend	trans	-128.9	64.5	179.9	-63.2	-87.9	0	0	0	111.1	W62 E63 R64 I75 Q80	W62-N66 HydrophobicContact CD2-CB 4.42Å; W62-N66 HydrophobicContact CE3-CB 4.33Å; W62-N66 HydrophobicContact CH2-CB 3.99Å; W62-N66 HydrophobicContact CZ2-CB 4.11Å; W62-N66 HydrophobicContact CZ3-CB 4.11Å; W62-N66 WeakPolarHBondContact O-CB 3.23Å; W62-N66 PolarHBondContact O-N 3.43Å; W62-N66 PolarHBondContact O-ND2 3.04Å; E63-N66 CarbonylContact O-C 3.57Å; E63-N66 VanDerWaalsContact O-C 3.28Å; E63-N66 PolarHBondContact O-N 2.84Å; R64-N66 VanDerWaalsContact C-N 3.31Å; N66-I75 HydrophobicContact CB-CG1 4.31Å; N66-I75 VanDerWaalsContact O-CG2 3.32Å; N66-I75 WeakPolarHBondContact O-CG2 3.28Å; N66-Q80 PolarHBondContact OD1-NE2 2.94Å
67	P	89.8	Confident	89.2	Confident	90 Å²	90	65.4 Å²	65.4	58%	0.584	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-65.8	147.9	-179	28.5	-35.3	0	0	0	112	N65 T69	N65-P67 VanDerWaalsContact C-CD 3.49Å; P67-T69 PolarHBondContact O-N 3.23Å
68	I	84.2	Confident	89.2	Confident	38 Å²	38	65.6 Å²	65.6	20%	0.195	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-70.5	118.1	170.4	-57.4	173.3	0	0	0	108.1	K72 I75 R626 H628	I68-K72 HydrophobicContact CG2-CB 4.2Å; I68-K72 VanDerWaalsContact CG2-O 3.24Å; I68-K72 WeakPolarHBondContact CG2-O 3.38Å; I68-I75 HydrophobicContact CD1-CG2 4.48Å; I68-I75 HydrophobicContact CG1-CB 4.3Å; I68-I75 HydrophobicContact CG1-CG2 3.5Å; I68-I75 VanDerWaalsContact CG1-CG2 3.5Å; I68-R626 HydrophobicContact CD1-CB 4.11Å; I68-R626 HydrophobicContact CD1-CG 4.24Å; I68-H628 HydrophobicContact CD1-CB 4.23Å; I68-H628 HydrophobicContact CG2-CB 4.21Å
69	T	79.4	Confident	89.1	Confident	74 Å²	74	70.5 Å²	70.5	45%	0.454	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-76.1	151.1	171.8	61	0	0	0	0	110.6	P67 N71 K72	P67-T69 PolarHBondContact O-N 3.23Å; T69-N71 PolarHBondContact O-N 3.06Å; T69-K72 PolarHBondContact O-N 3.3Å
70	N	64.4	Low	88.9	Confident	154 Å²	154	73.7 Å²	73.7	82%	0.824	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-24.6	-170.9	-68.4	-10.2	0	0	0	115.5
71	N	70.3	Confident	89	Confident	136 Å²	136	71.6 Å²	71.6	73%	0.727	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.5	-176.8	-62.7	-10.4	0	0	0	114	T69	T69-N71 PolarHBondContact O-N 3.06Å
72	K	77.5	Confident	89.1	Confident	87 Å²	87	68 Å²	68	38%	0.378	33%	0.332	S	S	.	.			trans	-103.1	135.9	-176.9	-70	-175	179.8	-179.7	0	111.4	I68 T69	I68-K72 HydrophobicContact CG2-CB 4.2Å; I68-K72 VanDerWaalsContact CG2-O 3.24Å; I68-K72 WeakPolarHBondContact CG2-O 3.38Å; T69-K72 PolarHBondContact O-N 3.3Å
73	R	86.1	Confident	88.9	Confident	144 Å²	144	67.6 Å²	67.6	54%	0.543	33%	0.333	S	S	.	.	S	Bend	trans	-73.6	-29.6	176.4	-63.8	-170.7	179.5	172.3	0.4	112.9	H628 S631	R73-H628 VanDerWaalsContact O-CB 3.26Å; R73-H628 WeakPolarHBondContact O-CB 3.37Å; R73-H628 PolarHBondContact O-N 2.94Å; R73-S631 WeakPolarHBondContact CA-OG 3.21Å; R73-S631 VanDerWaalsContact CB-OG 3.3Å; R73-S631 WeakPolarHBondContact CB-OG 3Å; R73-S631 WeakPolarHBondContact CG-OG 3.25Å; R73-S631 WeakPolarHBondContact O-CB 3.12Å
74	E	89.4	Confident	89	Confident	51 Å²	51	68.1 Å²	68.1	24%	0.238	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	162.2	-179	62.4	-180	-166.4	0	0	111	R626 V627 H635	E74-R626 CarbonylContact C-O 3.41Å; E74-R626 WeakPolarHBondContact CA-O 3.03Å; E74-R626 WeakPolarHBondContact CB-O 3Å; E74-V627 HydrophobicContact CB-CB 4.49Å; E74-V627 HydrophobicContact CB-CG2 4.14Å; E74-H635 IonicContact OE2-CD2 2.6Å
75	I	93.3	Very high	89.2	Confident	8 Å²	8	60.4 Å²	60.4	4%	0.041	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	133	167.9	-171.6	58.9	0	0	0	108.3	W62 N66 I68 K79 I83 G625 R626	W62-I75 HydrophobicContact CH2-CG1 4.19Å; N66-I75 HydrophobicContact CB-CG1 4.31Å; N66-I75 VanDerWaalsContact O-CG2 3.32Å; N66-I75 WeakPolarHBondContact O-CG2 3.28Å; I68-I75 HydrophobicContact CD1-CG2 4.48Å; I68-I75 HydrophobicContact CG1-CB 4.3Å; I68-I75 HydrophobicContact CG1-CG2 3.5Å; I68-I75 VanDerWaalsContact CG1-CG2 3.5Å; I75-K79 HydrophobicContact CD1-CB 4.09Å; I75-I83 HydrophobicContact CD1-CD1 4.37Å; I75-G625 CarbonylContact O-C 3.47Å; I75-G625 WeakPolarHBondContact O-CA 3.23Å; I75-R626 PolarHBondContact N-O 2.89Å; I75-R626 PolarHBondContact O-N 3.26Å
76	N	95.7	Very high	89.3	Confident	21 Å²	21	56.4 Å²	56.4	11%	0.112	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	173.2	176.7	60	36.7	0	0	0	109.2	W62 F78 K79 Q80 C624	W62-N76 VanDerWaalsContact CH2-C 3.49Å; N76-F78 VanDerWaalsContact C-N 3.32Å; N76-F78 PolarHBondContact O-N 2.58Å; N76-F78 PolarHBondContact OD1-N 3.25Å; N76-K79 PolarHBondContact O-N 2.93Å; N76-K79 WeakPolarHBondContact OD1-CG 3.4Å; N76-K79 PolarHBondContact OD1-N 3.49Å; N76-Q80 PolarHBondContact O-N 3.01Å; N76-C624 CarbonylContact C-O 3.5Å; N76-C624 VanDerWaalsContact CA-O 3.25Å; N76-C624 WeakPolarHBondContact CA-O 3.43Å; N76-C624 WeakPolarHBondContact CB-O 3.46Å
77	T	97.4	Very high	89.4	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-53.2	-43.1	177.5	47.6	0	0	0	0	113.8	W62 Q80 A81 P496 Q621 T622 C624	W62-T77 HydrophobicContact CZ2-CG2 4.13Å; T77-Q80 PolarHBondContact O-N 3.43Å; T77-Q80 VanDerWaalsContact O-N 3.15Å; T77-A81 PolarHBondContact O-N 3.47Å; T77-P496 HydrophobicContact CG2-CG 3.72Å; T77-Q621 WeakPolarHBondContact CG2-O 3.23Å; T77-T622 WeakPolarHBondContact CB-O 3.06Å; T77-T622 PolarHBondContact OG1-O 3.12Å; T77-C624 HydrophobicContact CG2-CB 4.12Å; T77-C624 PolarHBondContact N-O 3.32Å
78	F	96.3	Very high	89.7	Confident	50 Å²	50	57.5 Å²	57.5	22%	0.219	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-45.3	177.3	-65.5	-97.2	0	0	0	111.7	N76 Q80 A81 G82 P475 L492 F497 I514 L623	N76-F78 VanDerWaalsContact C-N 3.32Å; N76-F78 PolarHBondContact O-N 2.58Å; N76-F78 PolarHBondContact OD1-N 3.25Å; F78-Q80 VanDerWaalsContact C-N 3.26Å; F78-Q80 PolarHBondContact O-N 2.81Å; F78-A81 PolarHBondContact O-N 3.39Å; F78-G82 PolarHBondContact O-N 2.96Å; F78-P475 WeakPolarHBondContact CD1-O 3.21Å; F78-P475 WeakPolarHBondContact O-CG 3.24Å; F78-L492 HydrophobicContact CD1-CD2 4.05Å; F78-L492 HydrophobicContact CE1-CD2 3.87Å; F78-F497 HydrophobicContact CB-CZ 4.4Å; F78-F497 HydrophobicContact CD1-CE1 4.11Å; F78-F497 HydrophobicContact CD1-CE2 4.5Å; F78-F497 AromaticContact CD1-CZ 3.7Å; F78-F497 HydrophobicContact CD1-CZ 3.7Å; F78-F497 HydrophobicContact CD2-CE1 4.14Å; F78-F497 HydrophobicContact CD2-CZ 4.02Å; F78-F497 AromaticContact CE1-CE1 3.85Å; F78-F497 HydrophobicContact CE1-CE1 3.85Å; F78-F497 AromaticContact CE1-CZ 3.92Å; F78-F497 HydrophobicContact CE1-CZ 3.92Å; F78-F497 AromaticContact CE2-CE1 3.85Å; F78-F497 HydrophobicContact CE2-CE1 3.85Å; F78-F497 HydrophobicContact CE2-CZ 4.19Å; F78-F497 HydrophobicContact CG-CE1 4.27Å; F78-F497 AromaticContact CG-CZ 3.77Å; F78-F497 HydrophobicContact CG-CZ 3.77Å; F78-F497 AromaticContact CZ-CE1 3.71Å; F78-F497 HydrophobicContact CZ-CE1 3.71Å; F78-F497 HydrophobicContact CZ-CZ 4.16Å; F78-I514 HydrophobicContact CE1-CD1 3.88Å; F78-I514 HydrophobicContact CZ-CD1 3.71Å; F78-I514 HydrophobicContact CZ-CG1 4.24Å; F78-L623 HydrophobicContact CE2-CD2 4.43Å
79	K	93.6	Very high	90.3	Very high	110 Å²	110	55.7 Å²	55.7	48%	0.478	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-37.4	173.1	-73.3	-70.3	-178.5	-167.5	0	111.7	I75 N76 G82 I83	I75-K79 HydrophobicContact CD1-CB 4.09Å; N76-K79 PolarHBondContact O-N 2.93Å; N76-K79 WeakPolarHBondContact OD1-CG 3.4Å; N76-K79 PolarHBondContact OD1-N 3.49Å; K79-G82 PolarHBondContact O-N 3.41Å; K79-I83 WeakPolarHBondContact O-CG1 3.37Å; K79-I83 PolarHBondContact O-N 3.05Å
80	Q	94.5	Very high	91	Very high	68 Å²	68	54 Å²	54	32%	0.318	26%	0.264	S	S	.	.	H	α-helix	trans	-72.3	-39.2	-179.9	-170	62.7	-9.8	0	0	112.5	W62 N66 N76 T77 F78 G82 I83 A84	W62-Q80 HydrophobicContact CZ2-CB 4.35Å; N66-Q80 PolarHBondContact OD1-NE2 2.94Å; N76-Q80 PolarHBondContact O-N 3.01Å; T77-Q80 PolarHBondContact O-N 3.43Å; T77-Q80 VanDerWaalsContact O-N 3.15Å; F78-Q80 VanDerWaalsContact C-N 3.26Å; F78-Q80 PolarHBondContact O-N 2.81Å; Q80-G82 PolarHBondContact O-N 3.25Å; Q80-I83 WeakPolarHBondContact O-CB 3.35Å; Q80-I83 PolarHBondContact O-N 3.41Å; Q80-I83 VanDerWaalsContact O-N 3.13Å; Q80-I83 VanDerWaalsContact OE1-CD1 3.29Å; Q80-A84 PolarHBondContact O-N 2.73Å
81	A	96.1	Very high	92.5	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-37.6	168.7	0	0	0	0	0	111.4	T77 F78 I83 A84 T85 P475 Q494 F497	T77-A81 PolarHBondContact O-N 3.47Å; F78-A81 PolarHBondContact O-N 3.39Å; A81-I83 VanDerWaalsContact C-N 3.33Å; A81-I83 PolarHBondContact O-N 3.06Å; A81-A84 PolarHBondContact O-N 3.01Å; A81-T85 PolarHBondContact O-N 3.33Å; A81-T85 PolarHBondContact O-OG1 3.47Å; A81-T85 VanDerWaalsContact O-OG1 3.12Å; A81-P475 HydrophobicContact CB-CB 3.76Å; A81-P475 HydrophobicContact CB-CG 4.1Å; A81-Q494 HydrophobicContact CB-CG 4.15Å; A81-Q494 PolarHBondContact O-NE2 2.98Å; A81-F497 HydrophobicContact CB-CE2 3.69Å
82	G	95.2	Very high	93.7	Very high	17 Å²	17	45.3 Å²	45.3	18%	0.175	22%	0.217	C	C	.	.	H	α-helix	trans	-63.8	-37.8	174	0	0	0	0	0	112.8	F78 K79 Q80 T85 D86	F78-G82 PolarHBondContact O-N 2.96Å; K79-G82 PolarHBondContact O-N 3.41Å; Q80-G82 PolarHBondContact O-N 3.25Å; G82-T85 PolarHBondContact O-N 3.17Å; G82-D86 PolarHBondContact O-N 3.19Å
83	I	92.9	Very high	94.5	Very high	46 Å²	46	41.4 Å²	41.4	24%	0.236	20%	0.2	C	C	.	.	H	α-helix	trans	-67.6	-40.8	174.4	-69.8	161.6	0	0	0	111	I75 K79 Q80 A81 D86 Q87	I75-I83 HydrophobicContact CD1-CD1 4.37Å; K79-I83 WeakPolarHBondContact O-CG1 3.37Å; K79-I83 PolarHBondContact O-N 3.05Å; Q80-I83 WeakPolarHBondContact O-CB 3.35Å; Q80-I83 PolarHBondContact O-N 3.41Å; Q80-I83 VanDerWaalsContact O-N 3.13Å; Q80-I83 VanDerWaalsContact OE1-CD1 3.29Å; A81-I83 VanDerWaalsContact C-N 3.33Å; A81-I83 PolarHBondContact O-N 3.06Å; I83-D86 WeakPolarHBondContact O-CB 3.37Å; I83-D86 PolarHBondContact O-N 3.26Å; I83-Q87 WeakPolarHBondContact O-CG 3.48Å; I83-Q87 PolarHBondContact O-N 3.04Å
84	A	94.7	Very high	94.7	Very high	37 Å²	37	37 Å²	37	31%	0.306	19%	0.194	S	C	.	.	H	α-helix	trans	-62.5	-42.6	175.1	0	0	0	0	0	111.6	Q80 A81 D86 Q87 Y88	Q80-A84 PolarHBondContact O-N 2.73Å; A81-A84 PolarHBondContact O-N 3.01Å; A84-D86 VanDerWaalsContact C-N 3.33Å; A84-D86 PolarHBondContact O-N 2.88Å; A84-Q87 PolarHBondContact O-N 3.32Å; A84-Y88 PolarHBondContact O-N 3.09Å
85	T	96.5	Very high	94.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-43.3	171.6	-63.2	0	0	0	0	111.8	A81 G82 Q87 Y88 F89 F386 Y473 Q494	A81-T85 PolarHBondContact O-N 3.33Å; A81-T85 PolarHBondContact O-OG1 3.47Å; A81-T85 VanDerWaalsContact O-OG1 3.12Å; G82-T85 PolarHBondContact O-N 3.17Å; T85-Q87 PolarHBondContact O-N 3.27Å; T85-Y88 WeakPolarHBondContact O-CB 3.43Å; T85-Y88 PolarHBondContact O-N 3.01Å; T85-F89 HydrophobicContact CG2-CD2 4.02Å; T85-F89 HydrophobicContact CG2-CE2 3.38Å; T85-F89 HydrophobicContact CG2-CZ 3.7Å; T85-F89 WeakPolarHBondContact O-CD2 3.48Å; T85-F89 WeakPolarHBondContact O-CG 3.36Å; T85-F89 PolarHBondContact O-N 3.07Å; T85-F386 HydrophobicContact CG2-CD2 4.07Å; T85-F386 HydrophobicContact CG2-CE2 3.83Å; T85-Y473 HydrophobicContact CG2-CD2 3.9Å; T85-Y473 HydrophobicContact CG2-CG 4.29Å; T85-Q494 PolarHBondContact OG1-NE2 2.78Å; T85-Q494 VanDerWaalsContact OG1-NE2 3.15Å
86	D	95	Very high	94.7	Very high	20 Å²	20	44 Å²	44	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-37.2	177.6	-76.6	-9.1	0	0	0	112.9	G82 I83 A84 F89 Y90 F366 M371 K375	G82-D86 PolarHBondContact O-N 3.19Å; I83-D86 WeakPolarHBondContact O-CB 3.37Å; I83-D86 PolarHBondContact O-N 3.26Å; A84-D86 VanDerWaalsContact C-N 3.33Å; A84-D86 PolarHBondContact O-N 2.88Å; D86-F89 PolarHBondContact O-N 2.82Å; D86-Y90 WeakPolarHBondContact O-CB 3.39Å; D86-Y90 PolarHBondContact O-N 3.23Å; D86-F366 HydrophobicContact CB-CE2 4.28Å; D86-F366 HydrophobicContact CB-CZ 3.86Å; D86-M371 HydrophobicContact CB-CG 4.09Å; D86-K375 VanDerWaalsContact CG-NZ 3.3Å; D86-K375 WeakPolarHBondContact OD1-CD 3.34Å; D86-K375 VanDerWaalsContact OD1-CE 3.26Å; D86-K375 WeakPolarHBondContact OD1-CE 3.48Å; D86-K375 IonicContact OD1-NZ 3.94Å; D86-K375 PolarHBondContact OD1-NZ 3.33Å; D86-K375 IonicContact OD2-NZ 2.91Å; D86-K375 PolarHBondContact OD2-NZ 3.09Å; D86-K375 VanDerWaalsContact OD2-NZ 3.11Å
87	Q	94.3	Very high	94.6	Very high	109 Å²	109	47.5 Å²	47.5	51%	0.509	25%	0.254	S	S	.	.	H	α-helix	trans	-64.9	-41.8	174.2	-73	174.2	-17	0	0	111.5	I83 A84 T85 F89 Y90 N91	I83-Q87 WeakPolarHBondContact O-CG 3.48Å; I83-Q87 PolarHBondContact O-N 3.04Å; A84-Q87 PolarHBondContact O-N 3.32Å; T85-Q87 PolarHBondContact O-N 3.27Å; Q87-F89 PolarHBondContact O-N 3.46Å; Q87-Y90 PolarHBondContact O-N 3Å; Q87-N91 PolarHBondContact O-N 3.46Å; Q87-N91 PolarHBondContact O-ND2 2.96Å
88	Y	96.1	Very high	94.5	Very high	29 Å²	29	50.7 Å²	50.7	11%	0.114	27%	0.266	C	S	.	.	H	α-helix	trans	-58.1	-47.9	172.8	167.2	-99.5	0	0	0	111.5	A84 T85 Y90 N91 I92 H385 F386 S389 H390	A84-Y88 PolarHBondContact O-N 3.09Å; T85-Y88 WeakPolarHBondContact O-CB 3.43Å; T85-Y88 PolarHBondContact O-N 3.01Å; Y88-Y90 VanDerWaalsContact C-N 3.32Å; Y88-Y90 PolarHBondContact O-N 3.26Å; Y88-N91 PolarHBondContact O-N 3.1Å; Y88-N91 VanDerWaalsContact O-N 3.13Å; Y88-I92 HydrophobicContact CD2-CG2 4.38Å; Y88-I92 HydrophobicContact CE1-CD1 4.04Å; Y88-I92 HydrophobicContact CE1-CG2 4.33Å; Y88-I92 HydrophobicContact CE2-CG2 3.79Å; Y88-I92 PolarHBondContact O-N 2.85Å; Y88-I92 VanDerWaalsContact O-N 3.11Å; Y88-H385 PolarHBondContact OH-O 3.41Å; Y88-F386 AromaticContact CD1-CD2 3.93Å; Y88-F386 HydrophobicContact CD1-CD2 3.93Å; Y88-F386 HydrophobicContact CE1-CB 4.21Å; Y88-F386 HydrophobicContact CE1-CD2 4.14Å; Y88-S389 VanDerWaalsContact OH-CB 3.28Å; Y88-S389 WeakPolarHBondContact OH-CB 3.03Å; Y88-H390 AromaticContact CD1-CE1 3.73Å; Y88-H390 AromaticContact CD2-CE1 3.5Å; Y88-H390 VanDerWaalsContact CD2-CE1 3.5Å; Y88-H390 WeakPolarHBondContact CD2-CE1 3.26Å; Y88-H390 AromaticContact CE1-CE1 3.91Å; Y88-H390 AromaticContact CE2-CE1 3.67Å; Y88-H390 AromaticContact CG-CE1 3.52Å; Y88-H390 AromaticContact CZ-CE1 3.88Å
89	F	96.8	Very high	94.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-41.7	177.3	-67.6	-32.8	0	0	0	113	T85 D86 Q87 N91 I92 I93 M371 K375 L382 F386 Y473	T85-F89 HydrophobicContact CG2-CD2 4.02Å; T85-F89 HydrophobicContact CG2-CE2 3.38Å; T85-F89 HydrophobicContact CG2-CZ 3.7Å; T85-F89 WeakPolarHBondContact O-CD2 3.48Å; T85-F89 WeakPolarHBondContact O-CG 3.36Å; T85-F89 PolarHBondContact O-N 3.07Å; D86-F89 PolarHBondContact O-N 2.82Å; Q87-F89 PolarHBondContact O-N 3.46Å; F89-N91 VanDerWaalsContact C-N 3.3Å; F89-N91 PolarHBondContact O-N 3.32Å; F89-I92 HydrophobicContact CD1-CD1 4.11Å; F89-I92 VanDerWaalsContact O-CG1 3.23Å; F89-I92 WeakPolarHBondContact O-CG1 3.32Å; F89-I92 PolarHBondContact O-N 2.93Å; F89-I93 WeakPolarHBondContact O-CB 3.12Å; F89-I93 WeakPolarHBondContact O-CD1 3.49Å; F89-I93 VanDerWaalsContact O-CG1 3.24Å; F89-I93 WeakPolarHBondContact O-CG1 3.47Å; F89-I93 PolarHBondContact O-N 2.58Å; F89-M371 HydrophobicContact CB-CE 3.87Å; F89-M371 HydrophobicContact CB-SD 3.67Å; F89-M371 HydrophobicContact CD2-SD 4.44Å; F89-K375 HydrophobicContact CD2-CD 4.2Å; F89-K375 HydrophobicContact CD2-CG 4.22Å; F89-K375 HydrophobicContact CE2-CD 4.21Å; F89-K375 HydrophobicContact CE2-CG 4.33Å; F89-L382 HydrophobicContact CB-CD2 4.29Å; F89-L382 HydrophobicContact CD1-CB 4Å; F89-L382 HydrophobicContact CD1-CD2 3.81Å; F89-L382 HydrophobicContact CD1-CG 4.33Å; F89-L382 HydrophobicContact CD2-CD1 4.08Å; F89-L382 HydrophobicContact CE1-CB 3.61Å; F89-L382 HydrophobicContact CE1-CD2 4.32Å; F89-L382 HydrophobicContact CE1-CG 4.41Å; F89-L382 WeakPolarHBondContact CE1-O 3.42Å; F89-L382 HydrophobicContact CE2-CB 4.21Å; F89-L382 HydrophobicContact CE2-CD1 4.19Å; F89-L382 HydrophobicContact CG-CB 4.5Å; F89-L382 HydrophobicContact CG-CD1 4.29Å; F89-L382 HydrophobicContact CG-CD2 4.01Å; F89-L382 HydrophobicContact CG-CG 4.49Å; F89-L382 HydrophobicContact CZ-CB 3.74Å; F89-F386 HydrophobicContact CE1-CB 3.93Å; F89-F386 HydrophobicContact CE1-CD2 4.13Å; F89-F386 HydrophobicContact CE1-CG 4.47Å; F89-F386 HydrophobicContact CZ-CB 4.18Å; F89-F386 HydrophobicContact CZ-CD2 4.11Å; F89-F386 HydrophobicContact CZ-CG 4.44Å; F89-Y473 HydrophobicContact CE2-CD1 4.08Å; F89-Y473 AromaticContact CE2-CD2 3.53Å; F89-Y473 HydrophobicContact CE2-CD2 3.53Å; F89-Y473 HydrophobicContact CE2-CE1 4.21Å; F89-Y473 AromaticContact CE2-CE2 3.74Å; F89-Y473 HydrophobicContact CE2-CE2 3.74Å; F89-Y473 AromaticContact CE2-CG 3.71Å; F89-Y473 HydrophobicContact CE2-CG 3.71Å; F89-Y473 AromaticContact CZ-CD1 3.54Å; F89-Y473 HydrophobicContact CZ-CD1 3.54Å; F89-Y473 AromaticContact CZ-CD2 3.72Å; F89-Y473 HydrophobicContact CZ-CD2 3.72Å; F89-Y473 HydrophobicContact CZ-CE1 4.02Å; F89-Y473 HydrophobicContact CZ-CE2 4.21Å; F89-Y473 AromaticContact CZ-CG 3.35Å; F89-Y473 HydrophobicContact CZ-CG 3.35Å
90	Y	95.5	Very high	94.2	Very high	40 Å²	40	50.6 Å²	50.6	16%	0.157	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-44.6	174.5	179.1	-110.8	0	0	0	111.7	D86 Q87 Y88 I92 I93 A94 Y112 T364 F366	D86-Y90 WeakPolarHBondContact O-CB 3.39Å; D86-Y90 PolarHBondContact O-N 3.23Å; Q87-Y90 PolarHBondContact O-N 3Å; Y88-Y90 VanDerWaalsContact C-N 3.32Å; Y88-Y90 PolarHBondContact O-N 3.26Å; Y90-I92 PolarHBondContact O-N 3.09Å; Y90-I93 PolarHBondContact O-N 3.49Å; Y90-A94 HydrophobicContact CE1-CB 4.37Å; Y90-A94 HydrophobicContact CE2-CB 4.26Å; Y90-A94 VanDerWaalsContact O-CB 3.23Å; Y90-A94 WeakPolarHBondContact O-CB 3.48Å; Y90-A94 PolarHBondContact O-N 2.99Å; Y90-Y112 AromaticContact CD2-CE1 3.91Å; Y90-Y112 HydrophobicContact CD2-CE1 3.91Å; Y90-Y112 AromaticContact CD2-CZ 3.87Å; Y90-Y112 WeakPolarHBondContact CD2-OH 3.22Å; Y90-Y112 AromaticContact CE2-CE1 3.83Å; Y90-Y112 HydrophobicContact CE2-CE1 3.83Å; Y90-T364 PolarHBondContact OH-O 3Å; Y90-F366 HydrophobicContact CD1-CB 4.48Å; Y90-F366 HydrophobicContact CD1-CD2 4.39Å; Y90-F366 HydrophobicContact CD2-CB 4.38Å; Y90-F366 AromaticContact CD2-CD2 3.78Å; Y90-F366 HydrophobicContact CD2-CD2 3.78Å; Y90-F366 HydrophobicContact CE2-CB 4.43Å; Y90-F366 HydrophobicContact CG-CB 4.4Å; Y90-F366 AromaticContact CG-CD2 3.66Å; Y90-F366 HydrophobicContact CG-CD2 3.66Å; Y90-F366 HydrophobicContact CG-CE2 4.49Å; Y90-F366 HydrophobicContact CG-CG 4.5Å
91	N	95	Very high	94.2	Very high	99 Å²	99	54.1 Å²	54.1	53%	0.529	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-43.1	-178.8	-68.8	-21.5	0	0	0	112.6	Q87 Y88 F89 I93 N95	Q87-N91 PolarHBondContact O-N 3.46Å; Q87-N91 PolarHBondContact O-ND2 2.96Å; Y88-N91 PolarHBondContact O-N 3.1Å; Y88-N91 VanDerWaalsContact O-N 3.13Å; F89-N91 VanDerWaalsContact C-N 3.3Å; F89-N91 PolarHBondContact O-N 3.32Å; N91-I93 VanDerWaalsContact C-N 3.33Å; N91-I93 PolarHBondContact O-N 2.89Å; N91-N95 WeakPolarHBondContact O-CB 3.23Å; N91-N95 PolarHBondContact O-N 3.34Å
92	I	95.8	Very high	94.1	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-71.3	-28.7	178.2	66.2	170.8	0	0	0	112.8	Y88 F89 Y90 Y98 L105 R109 H385	Y88-I92 HydrophobicContact CD2-CG2 4.38Å; Y88-I92 HydrophobicContact CE1-CD1 4.04Å; Y88-I92 HydrophobicContact CE1-CG2 4.33Å; Y88-I92 HydrophobicContact CE2-CG2 3.79Å; Y88-I92 PolarHBondContact O-N 2.85Å; Y88-I92 VanDerWaalsContact O-N 3.11Å; F89-I92 HydrophobicContact CD1-CD1 4.11Å; F89-I92 VanDerWaalsContact O-CG1 3.23Å; F89-I92 WeakPolarHBondContact O-CG1 3.32Å; F89-I92 PolarHBondContact O-N 2.93Å; Y90-I92 PolarHBondContact O-N 3.09Å; I92-Y98 HydrophobicContact CB-CD1 3.71Å; I92-Y98 HydrophobicContact CB-CE1 3.72Å; I92-Y98 HydrophobicContact CB-CG 4.45Å; I92-Y98 HydrophobicContact CG2-CD1 4Å; I92-Y98 HydrophobicContact CG2-CE1 3.7Å; I92-Y98 HydrophobicContact CG2-CE2 4.43Å; I92-Y98 HydrophobicContact CG2-CG 4.49Å; I92-L105 HydrophobicContact CD1-CD1 4.33Å; I92-R109 PolarHBondContact O-NE 3.02Å; I92-R109 PolarHBondContact O-NH2 2.94Å; I92-H385 HydrophobicContact CD1-CB 3.75Å
93	I	93.8	Very high	93.8	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-75.3	-49.4	176.4	-73.5	168.6	0	0	0	110.2	F89 Y90 N91 N95 L105 T108 R109 Y112 M371 V374 L382	F89-I93 WeakPolarHBondContact O-CB 3.12Å; F89-I93 WeakPolarHBondContact O-CD1 3.49Å; F89-I93 VanDerWaalsContact O-CG1 3.24Å; F89-I93 WeakPolarHBondContact O-CG1 3.47Å; F89-I93 PolarHBondContact O-N 2.58Å; Y90-I93 PolarHBondContact O-N 3.49Å; N91-I93 VanDerWaalsContact C-N 3.33Å; N91-I93 PolarHBondContact O-N 2.89Å; I93-N95 VanDerWaalsContact C-N 3.34Å; I93-N95 PolarHBondContact O-N 3.24Å; I93-L105 HydrophobicContact CG1-CD1 4.48Å; I93-T108 HydrophobicContact CD1-CG2 4.03Å; I93-T108 HydrophobicContact CG1-CG2 4.31Å; I93-R109 HydrophobicContact CG2-CG 4.16Å; I93-R109 WeakPolarHBondContact O-CD 3.19Å; I93-R109 WeakPolarHBondContact O-CG 3.38Å; I93-R109 PolarHBondContact O-NE 2.85Å; I93-Y112 HydrophobicContact CG2-CD1 3.68Å; I93-Y112 HydrophobicContact CG2-CE1 4.42Å; I93-Y112 HydrophobicContact CG2-CG 3.96Å; I93-M371 HydrophobicContact CD1-CE 4.16Å; I93-V374 HydrophobicContact CD1-CG1 3.81Å; I93-L382 HydrophobicContact CD1-CD2 4.27Å
94	A	91.7	Very high	93.7	Very high	51 Å²	51	61.2 Å²	61.2	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-67.6	-33.3	-178.9	0	0	0	0	0	112.3	Y90 K96	Y90-A94 HydrophobicContact CE1-CB 4.37Å; Y90-A94 HydrophobicContact CE2-CB 4.26Å; Y90-A94 VanDerWaalsContact O-CB 3.23Å; Y90-A94 WeakPolarHBondContact O-CB 3.48Å; Y90-A94 PolarHBondContact O-N 2.99Å; A94-K96 PolarHBondContact O-N 3.19Å; A94-K96 VanDerWaalsContact O-N 3.08Å
95	N	93	Very high	93.6	Very high	81 Å²	81	59.4 Å²	59.4	43%	0.433	32%	0.317	S	S	.	.			trans	-76	95.1	174.2	-174.7	-5.5	0	0	0	111	N91 I93 S97 Y98 R109	N91-N95 WeakPolarHBondContact O-CB 3.23Å; N91-N95 PolarHBondContact O-N 3.34Å; I93-N95 VanDerWaalsContact C-N 3.34Å; I93-N95 PolarHBondContact O-N 3.24Å; N95-S97 PolarHBondContact O-N 2.89Å; N95-S97 WeakPolarHBondContact OD1-CB 3.46Å; N95-S97 PolarHBondContact OD1-N 3Å; N95-S97 VanDerWaalsContact OD1-N 3.07Å; N95-Y98 PolarHBondContact O-N 3.41Å; N95-Y98 PolarHBondContact OD1-N 2.82Å; N95-R109 PolarHBondContact O-NH2 2.89Å
96	K	89.2	Confident	93.3	Very high	125 Å²	125	61.3 Å²	61.3	54%	0.543	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.7	179.4	-63.3	-169.9	178.2	-163.2	0	113.8	A94 L100 E113	A94-K96 PolarHBondContact O-N 3.19Å; A94-K96 VanDerWaalsContact O-N 3.08Å; K96-L100 WeakPolarHBondContact O-CD2 3.41Å; K96-E113 WeakPolarHBondContact CE-OE1 3.24Å; K96-E113 IonicContact NZ-OE1 2.7Å; K96-E113 PolarHBondContact NZ-OE1 3.05Å
97	S	93.6	Very high	93	Very high	94 Å²	94	63.7 Å²	63.7	66%	0.657	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-13.7	-179.8	-52.3	0	0	0	0	113.6	N95	N95-S97 PolarHBondContact O-N 2.89Å; N95-S97 WeakPolarHBondContact OD1-CB 3.46Å; N95-S97 PolarHBondContact OD1-N 3Å; N95-S97 VanDerWaalsContact OD1-N 3.07Å
98	Y	95.1	Very high	92.7	Very high	69 Å²	69	58.5 Å²	58.5	27%	0.271	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	131.2	178.7	178.1	-97.3	0	0	0	110.5	I92 N95 L100 L105 R109 H385	I92-Y98 HydrophobicContact CB-CD1 3.71Å; I92-Y98 HydrophobicContact CB-CE1 3.72Å; I92-Y98 HydrophobicContact CB-CG 4.45Å; I92-Y98 HydrophobicContact CG2-CD1 4Å; I92-Y98 HydrophobicContact CG2-CE1 3.7Å; I92-Y98 HydrophobicContact CG2-CE2 4.43Å; I92-Y98 HydrophobicContact CG2-CG 4.49Å; N95-Y98 PolarHBondContact O-N 3.41Å; N95-Y98 PolarHBondContact OD1-N 2.82Å; Y98-L100 PolarHBondContact O-N 3.36Å; Y98-L105 HydrophobicContact CD1-CD2 3.66Å; Y98-L105 HydrophobicContact CE1-CD2 3.91Å; Y98-R109 PolarHBondContact O-NH1 3.37Å; Y98-R109 PolarHBondContact O-NH2 3.18Å; Y98-H385 AromaticContact CE1-CE1 3.78Å; Y98-H385 AromaticContact CE1-ND1 3.36Å; Y98-H385 WeakPolarHBondContact CE1-ND1 3.49Å; Y98-H385 AromaticContact CZ-ND1 3.65Å; Y98-H385 PolarHBondContact OH-ND1 3.42Å; Y98-H385 VanDerWaalsContact OH-ND1 3.13Å
99	A	93.4	Very high	92.5	Very high	25 Å²	25	57.9 Å²	57.9	21%	0.207	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.3	55.8	176.1	0	0	0	0	0	113.8	D101 D102 L105	A99-D101 PolarHBondContact O-N 3.34Å; A99-D102 HydrophobicContact CB-CB 4.29Å; A99-D102 PolarHBondContact O-N 3.45Å; A99-D102 VanDerWaalsContact O-N 3.13Å; A99-L105 HydrophobicContact CB-CD2 4.05Å
100	L	90.8	Very high	92.1	Very high	133 Å²	133	64.4 Å²	64.4	70%	0.696	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.5	-179.2	-79.7	168.1	0	0	0	113.3	K96 Y98 D102	K96-L100 WeakPolarHBondContact O-CD2 3.41Å; Y98-L100 PolarHBondContact O-N 3.36Å; L100-D102 VanDerWaalsContact C-N 3.33Å
101	D	93.1	Very high	91.5	Very high	142 Å²	142	65.6 Å²	65.6	76%	0.759	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.4	178.7	62	-48.7	0	0	0	113.6	A99 P103	A99-D101 PolarHBondContact O-N 3.34Å; D101-P103 WeakPolarHBondContact O-CD 3.49Å
102	D	93.8	Very high	91	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.037	33%	0.329	C	S	.	.			trans	-90.4	103.8	179	-166	-43.1	0	0	0	111.8	A99 L100 H104 L105 S106 K384 H385	A99-D102 HydrophobicContact CB-CB 4.29Å; A99-D102 PolarHBondContact O-N 3.45Å; A99-D102 VanDerWaalsContact O-N 3.13Å; L100-D102 VanDerWaalsContact C-N 3.33Å; D102-H104 VanDerWaalsContact C-N 3.29Å; D102-H104 PolarHBondContact O-N 3.07Å; D102-H104 WeakPolarHBondContact OD1-CA 3.48Å; D102-H104 WeakPolarHBondContact OD1-CB 3.48Å; D102-H104 PolarHBondContact OD1-N 3.08Å; D102-L105 HydrophobicContact CB-CB 3.99Å; D102-L105 PolarHBondContact O-N 2.94Å; D102-L105 PolarHBondContact OD1-N 2.89Å; D102-S106 PolarHBondContact O-N 3.09Å; D102-K384 IonicContact OD2-NZ 2.76Å; D102-K384 PolarHBondContact OD2-NZ 3.32Å; D102-H385 IonicContact OD2-NE2 3.69Å; D102-H385 PolarHBondContact OD2-NE2 3.5Å
103	P	90.8	Very high	90.4	Very high	84 Å²	84	64 Å²	64	55%	0.545	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-26.9	-179.7	28.3	-36.2	0	0	0	113.2	D101 T107	D101-P103 WeakPolarHBondContact O-CD 3.49Å; P103-T107 WeakPolarHBondContact O-CB 3.32Å; P103-T107 PolarHBondContact O-N 3.38Å; P103-T107 PolarHBondContact O-OG1 3.37Å
104	H	89.2	Confident	89.7	Confident	124 Å²	124	66.7 Å²	66.7	57%	0.574	36%	0.364	S	S	*	.	H	α-helix	trans	-72.6	-40.7	177.7	-61.7	-73.7	0	0	0	110.6	D102 T107 T108 T381	D102-H104 VanDerWaalsContact C-N 3.29Å; D102-H104 PolarHBondContact O-N 3.07Å; D102-H104 WeakPolarHBondContact OD1-CA 3.48Å; D102-H104 WeakPolarHBondContact OD1-CB 3.48Å; D102-H104 PolarHBondContact OD1-N 3.08Å; H104-T107 PolarHBondContact O-N 2.89Å; H104-T108 WeakPolarHBondContact O-CB 3.37Å; H104-T108 PolarHBondContact O-N 3.36Å; H104-T108 PolarHBondContact O-OG1 2.98Å; H104-T381 HydrophobicContact CB-CG2 3.84Å
105	L	92.6	Very high	89	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-67	-41.6	173.7	-173.5	63.2	0	0	0	111.1	I92 I93 Y98 A99 D102 T107 T108 R109 T381	I92-L105 HydrophobicContact CD1-CD1 4.33Å; I93-L105 HydrophobicContact CG1-CD1 4.48Å; Y98-L105 HydrophobicContact CD1-CD2 3.66Å; Y98-L105 HydrophobicContact CE1-CD2 3.91Å; A99-L105 HydrophobicContact CB-CD2 4.05Å; D102-L105 HydrophobicContact CB-CB 3.99Å; D102-L105 PolarHBondContact O-N 2.94Å; D102-L105 PolarHBondContact OD1-N 2.89Å; L105-T107 VanDerWaalsContact C-N 3.28Å; L105-T107 PolarHBondContact O-N 2.68Å; L105-T108 WeakPolarHBondContact O-CB 2.99Å; L105-T108 PolarHBondContact O-N 3.03Å; L105-T108 VanDerWaalsContact O-N 3.11Å; L105-R109 WeakPolarHBondContact O-CG 3.3Å; L105-R109 PolarHBondContact O-N 3.3Å; L105-T381 HydrophobicContact CB-CG2 4.19Å; L105-T381 HydrophobicContact CD1-CG2 4.44Å
106	S	90.7	Very high	88.2	Confident	43 Å²	43	64.9 Å²	64.9	30%	0.301	35%	0.349	S	S	.	.	H	α-helix	trans	-55.8	-42.4	173	-175.8	0	0	0	0	112.3	D102 R109 K110	D102-S106 PolarHBondContact O-N 3.09Å; S106-R109 WeakPolarHBondContact O-CB 3.32Å; S106-R109 PolarHBondContact O-N 3.33Å; S106-K110 WeakPolarHBondContact O-CG 3.49Å; S106-K110 PolarHBondContact O-N 3.14Å
107	T	89.1	Confident	87.3	Confident	69 Å²	69	65.7 Å²	65.7	42%	0.423	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-41.3	174.8	-56.8	0	0	0	0	112	P103 H104 L105 R109 K110 F111 F378	P103-T107 WeakPolarHBondContact O-CB 3.32Å; P103-T107 PolarHBondContact O-N 3.38Å; P103-T107 PolarHBondContact O-OG1 3.37Å; H104-T107 PolarHBondContact O-N 2.89Å; L105-T107 VanDerWaalsContact C-N 3.28Å; L105-T107 PolarHBondContact O-N 2.68Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 2.69Å; T107-K110 PolarHBondContact O-N 2.77Å; T107-F111 PolarHBondContact O-N 3.15Å; T107-F378 HydrophobicContact CG2-CE1 4.02Å; T107-F378 HydrophobicContact CG2-CZ 4.1Å
108	T	87.9	Confident	85.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.2	-41.2	175.3	-56.2	0	0	0	0	111.3	I93 H104 L105 F111 Y112 V374 F378 L382	I93-T108 HydrophobicContact CD1-CG2 4.03Å; I93-T108 HydrophobicContact CG1-CG2 4.31Å; H104-T108 WeakPolarHBondContact O-CB 3.37Å; H104-T108 PolarHBondContact O-N 3.36Å; H104-T108 PolarHBondContact O-OG1 2.98Å; L105-T108 WeakPolarHBondContact O-CB 2.99Å; L105-T108 PolarHBondContact O-N 3.03Å; L105-T108 VanDerWaalsContact O-N 3.11Å; T108-F111 PolarHBondContact O-N 3.33Å; T108-Y112 PolarHBondContact O-N 3.34Å; T108-V374 HydrophobicContact CG2-CG1 3.56Å; T108-F378 HydrophobicContact CG2-CB 4.08Å; T108-F378 HydrophobicContact CG2-CD2 4.02Å; T108-F378 HydrophobicContact CG2-CG 4.11Å; T108-F378 WeakPolarHBondContact OG1-CD1 3.48Å; T108-F378 WeakPolarHBondContact OG1-CG 3.16Å; T108-L382 HydrophobicContact CG2-CD2 4.34Å
109	R	91.2	Very high	84	Confident	17 Å²	17	60.1 Å²	60.1	6%	0.064	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-51.1	174.7	-68.4	179.9	179.2	121.6	8.6	112.3	I92 I93 N95 Y98 L105 S106 T107 F111 Y112 E113	I92-R109 PolarHBondContact O-NE 3.02Å; I92-R109 PolarHBondContact O-NH2 2.94Å; I93-R109 HydrophobicContact CG2-CG 4.16Å; I93-R109 WeakPolarHBondContact O-CD 3.19Å; I93-R109 WeakPolarHBondContact O-CG 3.38Å; I93-R109 PolarHBondContact O-NE 2.85Å; N95-R109 PolarHBondContact O-NH2 2.89Å; Y98-R109 PolarHBondContact O-NH1 3.37Å; Y98-R109 PolarHBondContact O-NH2 3.18Å; L105-R109 WeakPolarHBondContact O-CG 3.3Å; L105-R109 PolarHBondContact O-N 3.3Å; S106-R109 WeakPolarHBondContact O-CB 3.32Å; S106-R109 PolarHBondContact O-N 3.33Å; T107-R109 VanDerWaalsContact C-N 3.29Å; T107-R109 PolarHBondContact O-N 2.69Å; R109-F111 VanDerWaalsContact C-N 3.25Å; R109-F111 PolarHBondContact O-N 3.3Å; R109-Y112 PolarHBondContact O-N 2.75Å; R109-Y112 VanDerWaalsContact O-N 3.17Å; R109-E113 WeakPolarHBondContact O-CB 3.48Å; R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 3.29Å
110	K	87.8	Confident	81.9	Confident	136 Å²	136	64.9 Å²	64.9	59%	0.591	34%	0.339	S	S	*	.	H	α-helix	trans	-57.3	-41.5	178.3	-68.9	174.1	-176.2	177.9	0	111.3	S106 T107 A114	S106-K110 WeakPolarHBondContact O-CG 3.49Å; S106-K110 PolarHBondContact O-N 3.14Å; T107-K110 PolarHBondContact O-N 2.77Å; K110-A114 WeakPolarHBondContact O-CB 3.35Å; K110-A114 PolarHBondContact O-N 3.4Å
111	F	83.9	Confident	80.1	Confident	65 Å²	65	60.4 Å²	60.4	29%	0.285	33%	0.325	S	S	.	.	H	α-helix	trans	-63.8	-45.1	176.5	-179	-89.3	0	0	0	112.6	T107 T108 R109 A114 C115 R373 V374 V377 F378	T107-F111 PolarHBondContact O-N 3.15Å; T108-F111 PolarHBondContact O-N 3.33Å; R109-F111 VanDerWaalsContact C-N 3.25Å; R109-F111 PolarHBondContact O-N 3.3Å; F111-A114 PolarHBondContact O-N 3.06Å; F111-C115 WeakPolarHBondContact O-CB 3.43Å; F111-C115 PolarHBondContact O-N 2.8Å; F111-R373 HydrophobicContact CE1-CB 4.03Å; F111-R373 HydrophobicContact CZ-CB 4.39Å; F111-V374 HydrophobicContact CD1-CG2 3.71Å; F111-V374 HydrophobicContact CE1-CG2 4.11Å; F111-V377 HydrophobicContact CE1-CG2 4.32Å; F111-V377 HydrophobicContact CE2-CG2 4.33Å; F111-V377 HydrophobicContact CZ-CB 4.36Å; F111-V377 HydrophobicContact CZ-CG2 3.81Å; F111-F378 HydrophobicContact CB-CE2 3.57Å; F111-F378 HydrophobicContact CB-CZ 4.04Å; F111-F378 HydrophobicContact CD1-CD2 4.39Å; F111-F378 AromaticContact CD1-CE2 3.8Å; F111-F378 HydrophobicContact CD1-CE2 3.8Å; F111-F378 AromaticContact CD2-CE2 3.97Å; F111-F378 HydrophobicContact CD2-CE2 3.97Å; F111-F378 HydrophobicContact CD2-CZ 4.43Å; F111-F378 HydrophobicContact CE1-CE2 4.46Å; F111-F378 HydrophobicContact CG-CD2 4.49Å; F111-F378 AromaticContact CG-CE2 3.51Å; F111-F378 HydrophobicContact CG-CE2 3.51Å; F111-F378 HydrophobicContact CG-CZ 4.24Å
112	Y	84.1	Confident	78.2	Confident	8 Å²	8	57.1 Å²	57.1	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-44	177.1	-174.2	-104.7	0	0	0	112.2	Y90 I93 T108 R109 A114 C115 I116 S367 C370 M371 V374	Y90-Y112 AromaticContact CD2-CE1 3.91Å; Y90-Y112 HydrophobicContact CD2-CE1 3.91Å; Y90-Y112 AromaticContact CD2-CZ 3.87Å; Y90-Y112 WeakPolarHBondContact CD2-OH 3.22Å; Y90-Y112 AromaticContact CE2-CE1 3.83Å; Y90-Y112 HydrophobicContact CE2-CE1 3.83Å; I93-Y112 HydrophobicContact CG2-CD1 3.68Å; I93-Y112 HydrophobicContact CG2-CE1 4.42Å; I93-Y112 HydrophobicContact CG2-CG 3.96Å; T108-Y112 PolarHBondContact O-N 3.34Å; R109-Y112 PolarHBondContact O-N 2.75Å; R109-Y112 VanDerWaalsContact O-N 3.17Å; Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 2.84Å; Y112-C115 PolarHBondContact O-N 2.96Å; Y112-I116 HydrophobicContact CD1-CD1 3.82Å; Y112-I116 HydrophobicContact CD1-CG1 4.44Å; Y112-I116 HydrophobicContact CE1-CD1 3.16Å; Y112-I116 HydrophobicContact CE1-CG1 4.08Å; Y112-I116 HydrophobicContact CE2-CD1 4.33Å; Y112-I116 VanDerWaalsContact CZ-CD1 3.47Å; Y112-I116 PolarHBondContact O-N 3.1Å; Y112-S367 PolarHBondContact OH-N 3Å; Y112-C370 HydrophobicContact CD2-CB 3.73Å; Y112-C370 HydrophobicContact CE2-CB 3.57Å; Y112-M371 HydrophobicContact CE2-CB 4.49Å; Y112-M371 HydrophobicContact CE2-CE 4.26Å; Y112-V374 HydrophobicContact CD2-CG2 3.74Å; Y112-V374 HydrophobicContact CG-CG2 4.23Å
113	E	83.9	Confident	76.8	Confident	66 Å²	66	61.6 Å²	61.6	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-43.1	175.6	-73.2	-176.7	170.7	0	0	111.6	K96 R109 I116 K117	K96-E113 WeakPolarHBondContact CE-OE1 3.24Å; K96-E113 IonicContact NZ-OE1 2.7Å; K96-E113 PolarHBondContact NZ-OE1 3.05Å; R109-E113 WeakPolarHBondContact O-CB 3.48Å; R109-E113 WeakPolarHBondContact O-CG 3.34Å; R109-E113 PolarHBondContact O-N 3.29Å; E113-I116 PolarHBondContact O-N 2.6Å; E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 VanDerWaalsContact O-CG 3.29Å; E113-K117 WeakPolarHBondContact O-CG 3.19Å; E113-K117 PolarHBondContact O-N 3.34Å
114	A	79.2	Confident	75.7	Confident	61 Å²	61	62 Å²	62	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-41.7	175.4	0	0	0	0	0	111.9	K110 F111 Y112 K117 G118	K110-A114 WeakPolarHBondContact O-CB 3.35Å; K110-A114 PolarHBondContact O-N 3.4Å; F111-A114 PolarHBondContact O-N 3.06Å; Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 2.84Å; A114-K117 PolarHBondContact O-N 3.01Å; A114-G118 PolarHBondContact O-N 3.02Å; A114-G118 VanDerWaalsContact O-N 3.16Å
115	C	77.5	Confident	74.8	Confident	23 Å²	23	60.5 Å²	60.5	16%	0.155	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-45.1	176.8	-179.3	0	0	0	0	112.5	F111 Y112 G118 C370	F111-C115 WeakPolarHBondContact O-CB 3.43Å; F111-C115 PolarHBondContact O-N 2.8Å; Y112-C115 PolarHBondContact O-N 2.96Å; C115-G118 WeakPolarHBondContact O-CA 3.47Å; C115-G118 PolarHBondContact O-N 3.42Å; C115-G118 VanDerWaalsContact O-N 3.08Å; C115-C370 HydrophobicContact CB-CB 3.78Å; C115-C370 WeakPolarHBondContact CB-SG 3.46Å; C115-C370 WeakPolarHBondContact SG-CA 3.3Å; C115-C370 WeakPolarHBondContact SG-CB 3.42Å; C115-C370 CovalentContact SG-SG 2.05Å; C115-C370 PolarHBondContact SG-SG 3.49Å
116	I	75.1	Confident	73.7	Confident	71 Å²	71	61.7 Å²	61.7	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-42.4	177.8	-73.6	-177.5	0	0	0	111.5	Y112 E113 G118 C370	Y112-I116 HydrophobicContact CD1-CD1 3.82Å; Y112-I116 HydrophobicContact CD1-CG1 4.44Å; Y112-I116 HydrophobicContact CE1-CD1 3.16Å; Y112-I116 HydrophobicContact CE1-CG1 4.08Å; Y112-I116 HydrophobicContact CE2-CD1 4.33Å; Y112-I116 VanDerWaalsContact CZ-CD1 3.47Å; Y112-I116 PolarHBondContact O-N 3.1Å; E113-I116 PolarHBondContact O-N 2.6Å; I116-G118 PolarHBondContact O-N 3.14Å; I116-C370 HydrophobicContact CG1-CB 4.42Å
117	K	71.4	Confident	72.9	Confident	143 Å²	143	61.3 Å²	61.3	62%	0.622	33%	0.332	S	S	*	.	H	α-helix	trans	-62.9	-18.1	176.3	-73.8	174.7	-177.8	177.3	0	112	E113 A114 Y120	E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 VanDerWaalsContact O-CG 3.29Å; E113-K117 WeakPolarHBondContact O-CG 3.19Å; E113-K117 PolarHBondContact O-N 3.34Å; A114-K117 PolarHBondContact O-N 3.01Å; K117-Y120 WeakPolarHBondContact O-CD2 3.47Å; K117-Y120 WeakPolarHBondContact O-CE2 3.42Å
118	G	64.3	Low	72.2	Confident	20 Å²	20	61.5 Å²	61.5	21%	0.206	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	179.9	176.6	0	0	0	0	0	113.4	A114 C115 I116 Y120	A114-G118 PolarHBondContact O-N 3.02Å; A114-G118 VanDerWaalsContact O-N 3.16Å; C115-G118 WeakPolarHBondContact O-CA 3.47Å; C115-G118 PolarHBondContact O-N 3.42Å; C115-G118 VanDerWaalsContact O-N 3.08Å; I116-G118 PolarHBondContact O-N 3.14Å; G118-Y120 PolarHBondContact O-N 3.15Å
119	P	54.1	Low	71.8	Confident	25 Å²	25	65.7 Å²	65.7	16%	0.162	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	36.5	168.3	33.4	-34.3	0	0	0	111.9	G121 V126 E350	P119-G121 PolarHBondContact O-N 3.44Å; P119-V126 HydrophobicContact CB-CG2 3.94Å; P119-E350 HydrophobicContact CG-CG 4.31Å
120	Y	49.8	Very low	71.1	Confident	125 Å²	125	65.2 Å²	65.2	49%	0.49	35%	0.348	S	S	.	.			trans	-72.4	19.1	179.1	-56.5	-46.3	0	0	0	114.1	K117 G118 K357	K117-Y120 WeakPolarHBondContact O-CD2 3.47Å; K117-Y120 WeakPolarHBondContact O-CE2 3.42Å; G118-Y120 PolarHBondContact O-N 3.15Å; Y120-K357 VanDerWaalsContact OH-CE 3.25Å; Y120-K357 WeakPolarHBondContact OH-CE 3.34Å
121	G	52.2	Low	70.8	Confident	39 Å²	39	60.7 Å²	60.7	40%	0.402	33%	0.328	S	S	.	.	S	Bend	trans	-61.4	169.1	164.3	0	0	0	0	0	110.6	P119	P119-G121 PolarHBondContact O-N 3.44Å
122	S	53.3	Low	70.6	Confident	73 Å²	73	63.5 Å²	63.5	51%	0.51	34%	0.342	S	S	.	.			trans	-52.8	149.5	162.6	55.9	0	0	0	0	108.9	D124 H125	S122-D124 PolarHBondContact O-N 2.89Å; S122-H125 PolarHBondContact O-N 3.11Å; S122-H125 PolarHBondContact OG-N 3.46Å
123	T	65.4	Low	70.4	Confident	102 Å²	102	66.5 Å²	66.5	63%	0.626	36%	0.358	S	S	*	.	H	α-helix	trans	-48.2	-31.9	172.3	-47.4	0	0	0	0	111	K127	T123-K127 HydrophobicContact CG2-CD 4.18Å; T123-K127 WeakPolarHBondContact O-CB 3.25Å; T123-K127 WeakPolarHBondContact O-CD 3.35Å; T123-K127 WeakPolarHBondContact O-CG 3.45Å; T123-K127 PolarHBondContact O-N 2.98Å; T123-K127 VanDerWaalsContact O-N 3.14Å
124	D	67.3	Low	70.5	Confident	91 Å²	91	63.5 Å²	63.5	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-38.2	176.3	-55.6	-35.4	0	0	0	114	S122 V126 K127 D128	S122-D124 PolarHBondContact O-N 2.89Å; D124-V126 PolarHBondContact O-N 3.08Å; D124-K127 WeakPolarHBondContact O-CB 2.94Å; D124-K127 PolarHBondContact O-N 3.26Å; D124-D128 PolarHBondContact O-N 3.25Å
125	H	69	Low	70.7	Confident	94 Å²	94	63.2 Å²	63.2	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-41.9	178.7	-176.4	60	0	0	0	112.2	S122 D128 Q129	S122-H125 PolarHBondContact O-N 3.11Å; S122-H125 PolarHBondContact OG-N 3.46Å; H125-D128 PolarHBondContact O-N 3.06Å; H125-Q129 PolarHBondContact NE2-NE2 3.41Å; H125-Q129 VanDerWaalsContact NE2-NE2 3.12Å; H125-Q129 WeakPolarHBondContact O-CG 3.06Å; H125-Q129 PolarHBondContact O-N 2.94Å
126	V	69.9	Low	70.7	Confident	25 Å²	25	69.6 Å²	69.6	15%	0.152	37%	0.368	C	S	.	.	H	α-helix	trans	-65.2	-43	176.4	178.4	0	0	0	0	110.2	P119 D124 D128 Q129 L130 L346	P119-V126 HydrophobicContact CB-CG2 3.94Å; D124-V126 PolarHBondContact O-N 3.08Å; V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.44Å; V126-Q129 PolarHBondContact O-N 3.29Å; V126-L130 HydrophobicContact CG1-CD1 4.39Å; V126-L130 WeakPolarHBondContact O-CG 3.32Å; V126-L130 PolarHBondContact O-N 3.23Å; V126-L346 HydrophobicContact CG1-CD1 4.1Å
127	K	73.8	Confident	71	Confident	34 Å²	34	68 Å²	68	15%	0.148	37%	0.365	C	S	.	.	H	α-helix	trans	-55.7	-47.6	173.9	-74.5	168.6	165.4	-173.7	0	111.6	T123 D124 Q129 L130 R131 S227 N229	T123-K127 HydrophobicContact CG2-CD 4.18Å; T123-K127 WeakPolarHBondContact O-CB 3.25Å; T123-K127 WeakPolarHBondContact O-CD 3.35Å; T123-K127 WeakPolarHBondContact O-CG 3.45Å; T123-K127 PolarHBondContact O-N 2.98Å; T123-K127 VanDerWaalsContact O-N 3.14Å; D124-K127 WeakPolarHBondContact O-CB 2.94Å; D124-K127 PolarHBondContact O-N 3.26Å; K127-Q129 PolarHBondContact O-N 3.1Å; K127-L130 PolarHBondContact O-N 3.41Å; K127-R131 WeakPolarHBondContact O-CG 3.27Å; K127-R131 PolarHBondContact O-N 2.82Å; K127-S227 VanDerWaalsContact CG-O 3.28Å; K127-S227 WeakPolarHBondContact CG-O 3.42Å; K127-N229 HydrophobicContact CD-CB 4.16Å; K127-N229 PolarHBondContact NZ-OD1 2.97Å
128	D	75.9	Confident	71.7	Confident	73 Å²	73	62 Å²	62	39%	0.39	34%	0.339	S	S	.	.	H	α-helix	trans	-65.1	-38.7	179.6	-72.3	-22.2	0	0	0	112.4	D124 H125 V126 R131 Q132	D124-D128 PolarHBondContact O-N 3.25Å; H125-D128 PolarHBondContact O-N 3.06Å; V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.44Å; D128-R131 PolarHBondContact O-N 3.18Å; D128-R131 IonicContact OD1-NH1 3.11Å; D128-Q132 WeakPolarHBondContact O-CG 3.08Å; D128-Q132 PolarHBondContact O-N 2.9Å
129	Q	77.9	Confident	72.4	Confident	89 Å²	89	62.2 Å²	62.2	42%	0.416	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-42.1	173.7	-73.5	179.5	-28.2	0	0	112.1	H125 V126 K127 R131 Q132 L133	H125-Q129 PolarHBondContact NE2-NE2 3.41Å; H125-Q129 VanDerWaalsContact NE2-NE2 3.12Å; H125-Q129 WeakPolarHBondContact O-CG 3.06Å; H125-Q129 PolarHBondContact O-N 2.94Å; V126-Q129 PolarHBondContact O-N 3.29Å; K127-Q129 PolarHBondContact O-N 3.1Å; Q129-R131 VanDerWaalsContact C-N 3.31Å; Q129-R131 PolarHBondContact O-N 3.4Å; Q129-Q132 PolarHBondContact O-N 2.79Å; Q129-L133 WeakPolarHBondContact O-CG 3.12Å; Q129-L133 PolarHBondContact O-N 2.55Å
130	L	78	Confident	73.4	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-41.6	174.8	-71.8	170.7	0	0	0	111.4	V126 K127 L133 I134 L228 Q342 N343 L346	V126-L130 HydrophobicContact CG1-CD1 4.39Å; V126-L130 WeakPolarHBondContact O-CG 3.32Å; V126-L130 PolarHBondContact O-N 3.23Å; K127-L130 PolarHBondContact O-N 3.41Å; L130-L133 PolarHBondContact O-N 2.94Å; L130-I134 VanDerWaalsContact O-CG1 3.32Å; L130-I134 WeakPolarHBondContact O-CG1 3.47Å; L130-I134 PolarHBondContact O-N 2.88Å; L130-L228 HydrophobicContact CB-CD2 3.99Å; L130-Q342 HydrophobicContact CD2-CB 3.82Å; L130-N343 VanDerWaalsContact CD1-OD1 3.31Å; L130-N343 WeakPolarHBondContact CD1-OD1 3.16Å; L130-L346 HydrophobicContact CD2-CD1 4.33Å
131	R	80.6	Confident	74.9	Confident	42 Å²	42	59.4 Å²	59.4	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-42.2	175.6	-68.5	172.6	174.5	178.2	-8	112.4	K127 D128 Q129 L133 I134 S135 L144 L228	K127-R131 WeakPolarHBondContact O-CG 3.27Å; K127-R131 PolarHBondContact O-N 2.82Å; D128-R131 PolarHBondContact O-N 3.18Å; D128-R131 IonicContact OD1-NH1 3.11Å; Q129-R131 VanDerWaalsContact C-N 3.31Å; Q129-R131 PolarHBondContact O-N 3.4Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 3.29Å; R131-I134 PolarHBondContact O-N 3.34Å; R131-S135 WeakPolarHBondContact O-CB 3.32Å; R131-S135 PolarHBondContact O-N 3.26Å; R131-L144 HydrophobicContact CB-CD1 4.4Å; R131-L144 HydrophobicContact CG-CD1 3.97Å; R131-L144 HydrophobicContact CG-CD2 4.12Å; R131-L228 PolarHBondContact NE-O 2.93Å; R131-L228 PolarHBondContact NH2-O 2.81Å
132	Q	80.4	Confident	76.1	Confident	124 Å²	124	62.3 Å²	62.3	58%	0.579	34%	0.337	S	S	*	.	H	α-helix	trans	-62	-41.4	174.4	-72.2	174.6	13	0	0	111.5	D128 Q129 S135 M136	D128-Q132 WeakPolarHBondContact O-CG 3.08Å; D128-Q132 PolarHBondContact O-N 2.9Å; Q129-Q132 PolarHBondContact O-N 2.79Å; Q132-S135 PolarHBondContact O-N 2.75Å; Q132-M136 WeakPolarHBondContact O-CB 3.41Å; Q132-M136 VanDerWaalsContact O-CG 3.28Å; Q132-M136 WeakPolarHBondContact O-CG 3.32Å; Q132-M136 PolarHBondContact O-N 2.83Å
133	L	79.5	Confident	77.3	Confident	71 Å²	71	59.3 Å²	59.3	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.8	-70.6	174.1	0	0	0	112.1	Q129 L130 R131 S135 M136 A137 F338 Q342	Q129-L133 WeakPolarHBondContact O-CG 3.12Å; Q129-L133 PolarHBondContact O-N 2.55Å; L130-L133 PolarHBondContact O-N 2.94Å; R131-L133 VanDerWaalsContact C-N 3.32Å; R131-L133 PolarHBondContact O-N 3.29Å; L133-S135 VanDerWaalsContact C-N 3.35Å; L133-M136 PolarHBondContact O-N 2.04Å; L133-A137 WeakPolarHBondContact O-CB 3.48Å; L133-A137 PolarHBondContact O-N 3.4Å; L133-F338 HydrophobicContact CB-CE1 4.17Å; L133-F338 HydrophobicContact CB-CZ 4.4Å; L133-Q342 HydrophobicContact CD1-CG 4.49Å
134	I	85.5	Confident	77.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-47.4	173.8	-65.6	163.2	0	0	0	109.8	L130 R131 M136 A137 F138 W141 L144 L228 V335 F338 V339	L130-I134 VanDerWaalsContact O-CG1 3.32Å; L130-I134 WeakPolarHBondContact O-CG1 3.47Å; L130-I134 PolarHBondContact O-N 2.88Å; R131-I134 PolarHBondContact O-N 3.34Å; I134-M136 VanDerWaalsContact C-N 3.32Å; I134-M136 PolarHBondContact O-N 3.11Å; I134-A137 PolarHBondContact O-N 3.41Å; I134-A137 VanDerWaalsContact O-N 3.13Å; I134-F138 HydrophobicContact CG2-CB 4.5Å; I134-F138 HydrophobicContact CG2-CD2 4.4Å; I134-F138 PolarHBondContact O-N 2.97Å; I134-W141 HydrophobicContact CG2-CB 4.22Å; I134-L144 HydrophobicContact CD1-CD1 3.85Å; I134-L144 HydrophobicContact CG2-CD1 4.32Å; I134-L228 HydrophobicContact CD1-CD1 3.86Å; I134-L228 HydrophobicContact CD1-CD2 3.63Å; I134-L228 HydrophobicContact CD1-CG 4.42Å; I134-V335 HydrophobicContact CD1-CG1 4.26Å; I134-V335 HydrophobicContact CG1-CG1 4.36Å; I134-V335 HydrophobicContact CG2-CG1 4.13Å; I134-F338 HydrophobicContact CG1-CD1 4.46Å; I134-V339 HydrophobicContact CD1-CG2 3.58Å; I134-V339 HydrophobicContact CG1-CG2 3.88Å
135	S	83.3	Confident	77.4	Confident	56 Å²	56	54.5 Å²	54.5	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-58.3	-43.3	178.8	-176.1	0	0	0	0	112.5	R131 Q132 L133 G139	R131-S135 WeakPolarHBondContact O-CB 3.32Å; R131-S135 PolarHBondContact O-N 3.26Å; Q132-S135 PolarHBondContact O-N 2.75Å; L133-S135 VanDerWaalsContact C-N 3.35Å; S135-G139 WeakPolarHBondContact CA-O 3.22Å; S135-G139 WeakPolarHBondContact O-CA 3.43Å; S135-G139 PolarHBondContact O-N 3.49Å
136	M	77.5	Confident	76.5	Confident	157 Å²	157	53.9 Å²	53.9	77%	0.773	29%	0.294	S	S	*	.	H	α-helix	trans	-67.1	-36.4	176	-72.5	175.3	63.3	0	0	113	Q132 L133 I134	Q132-M136 WeakPolarHBondContact O-CB 3.41Å; Q132-M136 VanDerWaalsContact O-CG 3.28Å; Q132-M136 WeakPolarHBondContact O-CG 3.32Å; Q132-M136 PolarHBondContact O-N 2.83Å; L133-M136 PolarHBondContact O-N 2.04Å; I134-M136 VanDerWaalsContact C-N 3.32Å; I134-M136 PolarHBondContact O-N 3.11Å
137	A	82.8	Confident	75.4	Confident	36 Å²	36	56.8 Å²	56.8	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-85	-44.9	-173.1	0	0	0	0	0	113.2	L133 I134 P172 F338	L133-A137 WeakPolarHBondContact O-CB 3.48Å; L133-A137 PolarHBondContact O-N 3.4Å; I134-A137 PolarHBondContact O-N 3.41Å; I134-A137 VanDerWaalsContact O-N 3.13Å; A137-P172 HydrophobicContact CB-CB 3.99Å; A137-P172 HydrophobicContact CB-CG 4.43Å; A137-P172 VanDerWaalsContact O-CG 3.22Å; A137-P172 WeakPolarHBondContact O-CG 3.47Å; A137-F338 HydrophobicContact CB-CE1 4.4Å; A137-F338 HydrophobicContact CB-CE2 4.33Å; A137-F338 HydrophobicContact CB-CZ 4.03Å
138	F	85.4	Confident	74	Confident	18 Å²	18	58.6 Å²	58.6	8%	0.079	33%	0.326	C	S	.	.	H	α-helix	trans	-116.5	-5.8	-170.4	-66.2	-88.3	0	0	0	113.5	I134 P172 Y331 A334 V335 F338	I134-F138 HydrophobicContact CG2-CB 4.5Å; I134-F138 HydrophobicContact CG2-CD2 4.4Å; I134-F138 PolarHBondContact O-N 2.97Å; F138-P172 HydrophobicContact CD1-CG 3.97Å; F138-P172 HydrophobicContact CD2-CB 4.43Å; F138-P172 HydrophobicContact CD2-CG 4.46Å; F138-P172 HydrophobicContact CE1-CB 4.07Å; F138-P172 HydrophobicContact CE1-CG 3.77Å; F138-P172 HydrophobicContact CE2-CB 3.88Å; F138-P172 HydrophobicContact CE2-CG 4.27Å; F138-P172 HydrophobicContact CG-CG 4.32Å; F138-P172 HydrophobicContact CZ-CB 3.69Å; F138-P172 HydrophobicContact CZ-CG 3.93Å; F138-Y331 HydrophobicContact CB-CE2 4.38Å; F138-Y331 WeakPolarHBondContact CB-OH 3.38Å; F138-Y331 HydrophobicContact CD1-CE2 4.09Å; F138-Y331 PolarHBondContact O-OH 3.16Å; F138-A334 HydrophobicContact CE1-CB 4.28Å; F138-V335 HydrophobicContact CB-CG2 4.43Å; F138-V335 HydrophobicContact CD1-CG2 3.88Å; F138-V335 HydrophobicContact CD2-CG2 4.1Å; F138-V335 HydrophobicContact CE1-CG2 4.08Å; F138-V335 HydrophobicContact CE2-CG2 4.3Å; F138-V335 HydrophobicContact CG-CG2 3.89Å; F138-V335 HydrophobicContact CZ-CG2 4.29Å; F138-F338 HydrophobicContact CE2-CB 3.65Å; F138-F338 AromaticContact CE2-CD1 3.85Å; F138-F338 HydrophobicContact CE2-CD1 3.85Å; F138-F338 HydrophobicContact CE2-CD2 4.05Å; F138-F338 AromaticContact CE2-CG 3.59Å; F138-F338 HydrophobicContact CE2-CG 3.59Å; F138-F338 HydrophobicContact CZ-CB 3.85Å; F138-F338 HydrophobicContact CZ-CG 4.2Å
139	G	79.7	Confident	72.4	Confident	25 Å²	25	61.7 Å²	61.7	26%	0.258	35%	0.347	S	S	.	.	S	Bend	trans	78.6	-158.4	-170	0	0	0	0	0	112.2	S135 W141	S135-G139 WeakPolarHBondContact CA-O 3.22Å; S135-G139 WeakPolarHBondContact O-CA 3.43Å; S135-G139 PolarHBondContact O-N 3.49Å; G139-W141 PolarHBondContact O-N 3.41Å
140	E	73.8	Confident	70.6	Confident	86 Å²	86	64.8 Å²	64.8	40%	0.402	37%	0.367	S	S	.	.			trans	-65.1	124.4	174.9	-64.2	-171.3	171.1	0	0	110.6	T145 A158	E140-T145 HydrophobicContact CB-CG2 4.35Å; E140-A158 WeakPolarHBondContact OE2-CB 3.42Å
141	W	82.3	Confident	68.8	Low	5 Å²	5	69.4 Å²	69.4	2%	0.019	40%	0.395	C	S	.	.			trans	-100	119.7	171	-174.7	27.3	0	0	0	109.4	I134 G139 L143 L144 T145 L228 M230 L238 Y331 N332 V335	I134-W141 HydrophobicContact CG2-CB 4.22Å; G139-W141 PolarHBondContact O-N 3.41Å; W141-L143 HydrophobicContact CD2-CB 3.98Å; W141-L143 HydrophobicContact CE3-CB 4.27Å; W141-L143 HydrophobicContact CG-CB 4.49Å; W141-L143 HydrophobicContact CH2-CB 4.2Å; W141-L143 HydrophobicContact CH2-CD1 4.06Å; W141-L143 HydrophobicContact CZ2-CB 4Å; W141-L143 HydrophobicContact CZ2-CD1 3.37Å; W141-L143 HydrophobicContact CZ2-CG 4.12Å; W141-L143 HydrophobicContact CZ3-CB 4.3Å; W141-L143 PolarHBondContact O-N 3.43Å; W141-L144 HydrophobicContact CD2-CG 4.46Å; W141-L144 HydrophobicContact CE3-CD1 3.58Å; W141-L144 HydrophobicContact CE3-CD2 4.47Å; W141-L144 HydrophobicContact CE3-CG 3.52Å; W141-L144 HydrophobicContact CZ3-CD1 4.24Å; W141-L144 HydrophobicContact CZ3-CG 4.04Å; W141-L144 PolarHBondContact O-N 3.09Å; W141-T145 PolarHBondContact O-N 3.48Å; W141-L228 HydrophobicContact CE3-CD1 4.48Å; W141-L228 HydrophobicContact CH2-CD1 4.21Å; W141-L228 HydrophobicContact CZ3-CD1 3.54Å; W141-M230 HydrophobicContact CH2-CE 3.95Å; W141-M230 HydrophobicContact CH2-SD 3.92Å; W141-M230 HydrophobicContact CZ3-CE 4.44Å; W141-M230 HydrophobicContact CZ3-SD 4.17Å; W141-L238 HydrophobicContact CH2-CD2 4.34Å; W141-L238 HydrophobicContact CZ2-CD2 3.99Å; W141-Y331 AromaticContact CD1-CE1 3.45Å; W141-Y331 VanDerWaalsContact CD1-CE1 3.45Å; W141-Y331 HydrophobicContact CG-CE1 4.21Å; W141-Y331 AromaticContact NE1-CE1 3.8Å; W141-N332 PolarHBondContact NE1-OD1 3.26Å; W141-V335 HydrophobicContact CD2-CG1 4Å; W141-V335 HydrophobicContact CE3-CG1 3.87Å; W141-V335 HydrophobicContact CH2-CG1 4.13Å; W141-V335 HydrophobicContact CZ2-CB 4.45Å; W141-V335 HydrophobicContact CZ2-CG1 4.13Å; W141-V335 HydrophobicContact CZ3-CG1 4.02Å
142	D	76.5	Confident	66.8	Low	100 Å²	100	73.4 Å²	73.4	54%	0.535	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-22.9	-176.5	-67.6	-22.3	0	0	0	114.7	T145 I161	D142-T145 PolarHBondContact O-OG1 2.94Å; D142-T145 VanDerWaalsContact O-OG1 3.06Å; D142-I161 WeakPolarHBondContact OD2-CD1 3.5Å
143	L	78	Confident	64.7	Low	9 Å²	9	72.7 Å²	72.7	5%	0.047	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13	178.7	-61.1	177.2	0	0	0	113.6	W141 M230 Q234 K237 L238	W141-L143 HydrophobicContact CD2-CB 3.98Å; W141-L143 HydrophobicContact CE3-CB 4.27Å; W141-L143 HydrophobicContact CG-CB 4.49Å; W141-L143 HydrophobicContact CH2-CB 4.2Å; W141-L143 HydrophobicContact CH2-CD1 4.06Å; W141-L143 HydrophobicContact CZ2-CB 4Å; W141-L143 HydrophobicContact CZ2-CD1 3.37Å; W141-L143 HydrophobicContact CZ2-CG 4.12Å; W141-L143 HydrophobicContact CZ3-CB 4.3Å; W141-L143 PolarHBondContact O-N 3.43Å; L143-M230 HydrophobicContact CB-CE 3.87Å; L143-M230 HydrophobicContact CD1-CE 3.91Å; L143-M230 HydrophobicContact CG-CE 4.38Å; L143-Q234 VanDerWaalsContact O-CD 3.25Å; L143-Q234 PolarHBondContact O-NE2 2.8Å; L143-K237 HydrophobicContact CD1-CB 4.5Å; L143-K237 HydrophobicContact CD2-CB 3.74Å; L143-K237 HydrophobicContact CD2-CD 3.41Å; L143-K237 VanDerWaalsContact CD2-CD 3.41Å; L143-K237 HydrophobicContact CD2-CG 4.19Å; L143-L238 HydrophobicContact CD1-CD2 3.59Å; L143-L238 HydrophobicContact CD1-CG 4.29Å
144	L	73.3	Confident	62.7	Low	19 Å²	19	78.3 Å²	78.3	10%	0.099	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-17	177.9	-71.7	176.7	0	0	0	114.4	R131 I134 W141 S146 L147 L228	R131-L144 HydrophobicContact CB-CD1 4.4Å; R131-L144 HydrophobicContact CG-CD1 3.97Å; R131-L144 HydrophobicContact CG-CD2 4.12Å; I134-L144 HydrophobicContact CD1-CD1 3.85Å; I134-L144 HydrophobicContact CG2-CD1 4.32Å; W141-L144 HydrophobicContact CD2-CG 4.46Å; W141-L144 HydrophobicContact CE3-CD1 3.58Å; W141-L144 HydrophobicContact CE3-CD2 4.47Å; W141-L144 HydrophobicContact CE3-CG 3.52Å; W141-L144 HydrophobicContact CZ3-CD1 4.24Å; W141-L144 HydrophobicContact CZ3-CG 4.04Å; W141-L144 PolarHBondContact O-N 3.09Å; L144-S146 PolarHBondContact O-N 3.24Å; L144-L147 PolarHBondContact O-N 3.47Å; L144-L228 HydrophobicContact CD2-CB 4.21Å
145	T	61.9	Low	60.6	Low	73 Å²	73	81.9 Å²	81.9	45%	0.448	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-56.1	-22	-173	43.7	0	0	0	0	114	E140 W141 D142 L147	E140-T145 HydrophobicContact CB-CG2 4.35Å; W141-T145 PolarHBondContact O-N 3.48Å; D142-T145 PolarHBondContact O-OG1 2.94Å; D142-T145 VanDerWaalsContact O-OG1 3.06Å; T145-L147 VanDerWaalsContact C-N 3.29Å; T145-L147 PolarHBondContact O-N 2.98Å
146	S	50.5	Low	58.7	Low	82 Å²	82	86.1 Å²	86.1	57%	0.573	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-77.2	1.3	-179.6	75.8	0	0	0	0	115.9	L144 Q234	L144-S146 PolarHBondContact O-N 3.24Å; S146-Q234 PolarHBondContact OG-NE2 2.82Å
147	L	47.3	Very low	57	Low	85 Å²	85	82.7 Å²	82.7	45%	0.445	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-127.8	2.2	-172.4	-71	169.1	0	0	0	115.9	L144 T145	L144-L147 PolarHBondContact O-N 3.47Å; T145-L147 VanDerWaalsContact C-N 3.29Å; T145-L147 PolarHBondContact O-N 2.98Å
148	S	44.7	Very low	55.1	Low	73 Å²	73	83.7 Å²	83.7	51%	0.51	51%	0.505	S	S	.	.			trans	-112.8	99.4	-176.8	155.5	0	0	0	0	111.3	V151	S148-V151 WeakPolarHBondContact OG-CG2 3.44Å
149	T	41.1	Very low	53.6	Low	138 Å²	138	90.2 Å²	90.2	85%	0.847	53%	0.53	S	S	*	.			trans	-94.3	3.7	173.1	43	0	0	0	0	114.8
150	N	40.2	Very low	52.9	Low	154 Å²	154	91.6 Å²	91.6	82%	0.824	54%	0.535	S	S	*	.			trans	-131.7	35.6	-172.9	-81.1	-17.5	0	0	0	115.2
151	V	40.6	Very low	52.6	Low	102 Å²	102	88.2 Å²	88.2	62%	0.618	52%	0.52	S	S	*	.			trans	-89.5	109.8	163.8	178.2	0	0	0	0	108.2	S148 S153	S148-V151 WeakPolarHBondContact OG-CG2 3.44Å; V151-S153 PolarHBondContact O-N 3.25Å
152	T	37.4	Very low	51.9	Low	127 Å²	127	91.7 Å²	91.7	78%	0.779	54%	0.538	S	S	*	.			trans	-53.7	128.8	172.4	44	0	0	0	0	110.2	E154	T152-E154 VanDerWaalsContact C-N 3.31Å; T152-E154 PolarHBondContact O-N 2.82Å
153	S	36.9	Very low	52.2	Low	109 Å²	109	93.5 Å²	93.5	76%	0.762	55%	0.548	S	S	*	.	S	Bend	trans	-65.1	79	-176.6	58.9	0	0	0	0	112.9	V151	V151-S153 PolarHBondContact O-N 3.25Å
154	E	37.1	Very low	52.6	Low	188 Å²	188	93.8 Å²	93.8	88%	0.879	55%	0.549	S	S	*	.			trans	-121.8	48.8	142.1	-72.5	-172.3	169.9	0	0	107.2	T152 N156	T152-E154 VanDerWaalsContact C-N 3.31Å; T152-E154 PolarHBondContact O-N 2.82Å; E154-N156 PolarHBondContact O-N 2.87Å
155	S	42.9	Very low	53.5	Low	78 Å²	78	94.9 Å²	94.9	55%	0.545	56%	0.558	S	S	.	*			trans	-67	107.6	-172.4	56.5	0	0	0	0	110	A157	S155-A157 PolarHBondContact O-N 2.95Å
156	N	43	Very low	55	Low	145 Å²	145	91.4 Å²	91.4	78%	0.775	54%	0.537	S	S	*	.			trans	-38.1	111.2	150.3	-70.3	-47.2	0	0	0	107.6	E154 A158	E154-N156 PolarHBondContact O-N 2.87Å; N156-A158 PolarHBondContact O-N 2.96Å; N156-A158 VanDerWaalsContact O-N 3.1Å
157	A	41.5	Very low	57.2	Low	85 Å²	85	87.6 Å²	87.6	70%	0.702	51%	0.511	S	S	*	.			trans	-43.7	125.1	174.8	0	0	0	0	0	108.1	S155 R159	S155-A157 PolarHBondContact O-N 2.95Å; A157-R159 PolarHBondContact O-N 2.8Å
158	A	43.1	Very low	59.3	Low	56 Å²	56	85.3 Å²	85.3	46%	0.463	50%	0.499	S	S	.	.			trans	-40.4	107.1	178	0	0	0	0	0	108.1	E140 N156 S160	E140-A158 WeakPolarHBondContact OE2-CB 3.42Å; N156-A158 PolarHBondContact O-N 2.96Å; N156-A158 VanDerWaalsContact O-N 3.1Å; A158-S160 PolarHBondContact O-N 2.92Å
159	R	52.9	Low	61.7	Low	156 Å²	156	81.9 Å²	81.9	59%	0.589	48%	0.475	S	S	*	.			trans	-63.4	109.9	178.1	-79	-175.3	-178.3	-172.3	-0	104.5	A157 I161 L164 D168	A157-R159 PolarHBondContact O-N 2.8Å; R159-I161 PolarHBondContact O-N 2.69Å; R159-L164 HydrophobicContact CB-CD2 4.18Å; R159-D168 IonicContact NH1-OD1 2.61Å
160	S	65.7	Low	64.2	Low	54 Å²	54	75.5 Å²	75.5	38%	0.378	44%	0.435	S	S	.	.			trans	-50.5	120.2	173.5	174.6	0	0	0	0	107.5	A158 L162 N163	A158-S160 PolarHBondContact O-N 2.92Å; S160-L162 PolarHBondContact O-N 3.16Å; S160-L162 WeakPolarHBondContact OG-CB 3.42Å; S160-L162 PolarHBondContact OG-N 3.24Å; S160-N163 PolarHBondContact O-N 3.15Å
161	I	67.4	Low	66.7	Low	14 Å²	14	69.4 Å²	69.4	7%	0.072	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-50.3	-32.3	178.7	-65.6	173.2	0	0	0	109.8	D142 R159 N163 L164 K327 Y331	D142-I161 WeakPolarHBondContact OD2-CD1 3.5Å; R159-I161 PolarHBondContact O-N 2.69Å; I161-N163 PolarHBondContact O-N 2.81Å; I161-L164 WeakPolarHBondContact O-CB 3.43Å; I161-L164 PolarHBondContact O-N 3.24Å; I161-K327 VanDerWaalsContact O-CE 3.29Å; I161-K327 WeakPolarHBondContact O-CE 3.47Å; I161-Y331 HydrophobicContact CD1-CD1 4.05Å; I161-Y331 HydrophobicContact CD1-CE1 4.07Å; I161-Y331 HydrophobicContact CG1-CD1 4.44Å; I161-Y331 HydrophobicContact CG1-CE1 4.37Å; I161-Y331 HydrophobicContact CG2-CD1 4.49Å; I161-Y331 HydrophobicContact CG2-CD2 4.41Å; I161-Y331 HydrophobicContact CG2-CG 4.08Å
162	L	68.9	Low	69	Low	79 Å²	79	65.2 Å²	65.2	41%	0.414	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-63.9	-22.3	179.1	-52.6	-176	0	0	0	113.8	S160 D324 K327	S160-L162 PolarHBondContact O-N 3.16Å; S160-L162 WeakPolarHBondContact OG-CB 3.42Å; S160-L162 PolarHBondContact OG-N 3.24Å; L162-D324 HydrophobicContact CD2-CB 3.71Å; L162-D324 VanDerWaalsContact CD2-CG 3.45Å; L162-D324 WeakPolarHBondContact CD2-OD1 3.46Å; L162-K327 PolarHBondContact O-NZ 2.91Å
163	N	81.3	Confident	71.5	Confident	138 Å²	138	59.3 Å²	59.3	74%	0.738	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-94.6	-4	178.6	-68.6	-11.6	0	0	0	113.6	S160 I161	S160-N163 PolarHBondContact O-N 3.15Å; I161-N163 PolarHBondContact O-N 2.81Å
164	L	86.1	Confident	74	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.073	31%	0.306	C	S	.	.			trans	-74.4	133	-178.2	-62.2	177.2	0	0	0	111.3	R159 I161 D168 I169 K327 Y331	R159-L164 HydrophobicContact CB-CD2 4.18Å; I161-L164 WeakPolarHBondContact O-CB 3.43Å; I161-L164 PolarHBondContact O-N 3.24Å; L164-D168 HydrophobicContact CB-CB 4.13Å; L164-D168 HydrophobicContact CD2-CB 3.94Å; L164-I169 HydrophobicContact CB-CG1 4.21Å; L164-K327 WeakPolarHBondContact O-CE 3.48Å; L164-K327 PolarHBondContact O-NZ 2.76Å; L164-Y331 HydrophobicContact CD1-CD2 3.53Å; L164-Y331 HydrophobicContact CD1-CE2 3.42Å; L164-Y331 VanDerWaalsContact CD1-CE2 3.42Å
165	S	92.3	Very high	76.3	Confident	42 Å²	42	47 Å²	47	29%	0.294	28%	0.276	S	S	.	.			trans	-75.2	165.6	168	69.1	0	0	0	0	110.8	T167 D168 I169	S165-T167 PolarHBondContact O-N 3.5Å; S165-T167 WeakPolarHBondContact OG-CB 3.44Å; S165-T167 PolarHBondContact OG-N 2.75Å; S165-D168 WeakPolarHBondContact CB-OD2 3.15Å; S165-D168 PolarHBondContact N-OD2 3Å; S165-D168 PolarHBondContact O-N 3.3Å; S165-D168 VanDerWaalsContact O-N 3.09Å; S165-D168 VanDerWaalsContact OG-CG 3.29Å; S165-D168 PolarHBondContact OG-N 3.4Å; S165-D168 VanDerWaalsContact OG-N 3.09Å; S165-D168 PolarHBondContact OG-OD2 3.33Å; S165-I169 WeakPolarHBondContact O-CG1 3.44Å; S165-I169 PolarHBondContact O-N 3.1Å; S165-I169 VanDerWaalsContact O-N 3.13Å
166	L	94.9	Very high	78	Confident	1 Å²	1	46 Å²	46	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-34.8	171.6	-174.6	60.9	0	0	0	111.4	I169 Y170 L182 P278 I279 H317 L321 L330	L166-I169 PolarHBondContact O-N 3.39Å; L166-Y170 HydrophobicContact CD1-CD2 3.94Å; L166-Y170 HydrophobicContact CD1-CE2 3.73Å; L166-Y170 HydrophobicContact CG-CD2 4.15Å; L166-Y170 HydrophobicContact CG-CE2 4.28Å; L166-Y170 PolarHBondContact O-N 3Å; L166-Y170 VanDerWaalsContact O-N 3.07Å; L166-L182 HydrophobicContact CD2-CD2 4.01Å; L166-P278 HydrophobicContact CB-CB 4.2Å; L166-P278 HydrophobicContact CD2-CB 3.93Å; L166-P278 HydrophobicContact CD2-CG 3.83Å; L166-I279 HydrophobicContact CB-CD1 4.09Å; L166-I279 HydrophobicContact CD2-CD1 3.71Å; L166-I279 HydrophobicContact CD2-CG1 4.27Å; L166-I279 HydrophobicContact CG-CD1 3.66Å; L166-H317 HydrophobicContact CD2-CB 4.01Å; L166-L321 HydrophobicContact CB-CD1 3.89Å; L166-L321 HydrophobicContact CB-CD2 4.4Å; L166-L321 HydrophobicContact CD1-CD2 4.35Å; L166-L330 HydrophobicContact CD1-CD2 3.6Å
167	T	95.7	Very high	79.7	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-46.5	173	-36.6	0	0	0	0	111.6	S165 I169 Y170 L171 D280 Y283 L284	S165-T167 PolarHBondContact O-N 3.5Å; S165-T167 WeakPolarHBondContact OG-CB 3.44Å; S165-T167 PolarHBondContact OG-N 2.75Å; T167-I169 VanDerWaalsContact C-N 3.3Å; T167-I169 PolarHBondContact O-N 3.13Å; T167-Y170 PolarHBondContact O-N 3.09Å; T167-L171 WeakPolarHBondContact O-CA 3.45Å; T167-L171 WeakPolarHBondContact O-CB 3.35Å; T167-L171 PolarHBondContact O-N 3.41Å; T167-D280 HydrophobicContact CG2-CB 4.41Å; T167-D280 PolarHBondContact OG1-N 2.85Å; T167-Y283 HydrophobicContact CG2-CD1 3.82Å; T167-Y283 HydrophobicContact CG2-CE1 4.48Å; T167-L284 HydrophobicContact CG2-CB 3.87Å; T167-L284 HydrophobicContact CG2-CD1 4.26Å
168	D	92.7	Very high	81.8	Confident	37 Å²	37	37.6 Å²	37.6	20%	0.198	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-37.5	178.8	-64.3	-65	0	0	0	112	R159 L164 S165 P172	R159-D168 IonicContact NH1-OD1 2.61Å; L164-D168 HydrophobicContact CB-CB 4.13Å; L164-D168 HydrophobicContact CD2-CB 3.94Å; S165-D168 WeakPolarHBondContact CB-OD2 3.15Å; S165-D168 PolarHBondContact N-OD2 3Å; S165-D168 PolarHBondContact O-N 3.3Å; S165-D168 VanDerWaalsContact O-N 3.09Å; S165-D168 VanDerWaalsContact OG-CG 3.29Å; S165-D168 PolarHBondContact OG-N 3.4Å; S165-D168 VanDerWaalsContact OG-N 3.09Å; S165-D168 PolarHBondContact OG-OD2 3.33Å; D168-P172 WeakPolarHBondContact O-CD 3.44Å
169	I	93.4	Very high	84	Confident	1 Å²	1	36 Å²	36	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-40.8	178.7	-64	171.5	0	0	0	111	L164 S165 L166 T167 L321 L330 Y331 A334	L164-I169 HydrophobicContact CB-CG1 4.21Å; S165-I169 WeakPolarHBondContact O-CG1 3.44Å; S165-I169 PolarHBondContact O-N 3.1Å; S165-I169 VanDerWaalsContact O-N 3.13Å; L166-I169 PolarHBondContact O-N 3.39Å; T167-I169 VanDerWaalsContact C-N 3.3Å; T167-I169 PolarHBondContact O-N 3.13Å; I169-L321 HydrophobicContact CD1-CD2 4.32Å; I169-L330 HydrophobicContact CD1-CD2 4.12Å; I169-L330 HydrophobicContact CG2-CG 4.39Å; I169-Y331 HydrophobicContact CG1-CD2 4.32Å; I169-A334 HydrophobicContact CG2-CB 3.56Å
170	Y	94.6	Very high	85.9	Confident	4 Å²	4	28.6 Å²	28.6	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-96.9	-16.4	-174.5	-72.5	-18.9	0	0	0	115.5	L166 T167 P172 L173 I174 P181 L182 H317 L330 A334	L166-Y170 HydrophobicContact CD1-CD2 3.94Å; L166-Y170 HydrophobicContact CD1-CE2 3.73Å; L166-Y170 HydrophobicContact CG-CD2 4.15Å; L166-Y170 HydrophobicContact CG-CE2 4.28Å; L166-Y170 PolarHBondContact O-N 3Å; L166-Y170 VanDerWaalsContact O-N 3.07Å; T167-Y170 PolarHBondContact O-N 3.09Å; Y170-P172 VanDerWaalsContact C-CD 3.49Å; Y170-P172 VanDerWaalsContact C-N 3.32Å; Y170-L173 HydrophobicContact CD1-CD1 4.22Å; Y170-L173 PolarHBondContact O-N 2.98Å; Y170-L173 VanDerWaalsContact O-N 3.08Å; Y170-I174 WeakPolarHBondContact O-CG1 3.09Å; Y170-I174 PolarHBondContact O-N 3.24Å; Y170-P181 HydrophobicContact CE1-CG 4.26Å; Y170-L182 HydrophobicContact CD2-CB 4.23Å; Y170-L182 HydrophobicContact CE2-CB 3.63Å; Y170-L182 HydrophobicContact CE2-CD2 4.43Å; Y170-H317 AromaticContact CE2-CD2 3.6Å; Y170-H317 AromaticContact CE2-NE2 3.98Å; Y170-H317 AromaticContact CZ-CD2 3.68Å; Y170-H317 AromaticContact CZ-NE2 3.86Å; Y170-H317 PolarHBondContact OH-CD2 3.27Å; Y170-H317 PolarHBondContact OH-NE2 3.42Å; Y170-L330 HydrophobicContact CE1-CD1 4.4Å; Y170-L330 WeakPolarHBondContact OH-CD1 3.37Å; Y170-A334 HydrophobicContact CD1-CB 4.29Å; Y170-A334 HydrophobicContact CE1-CB 4.28Å
171	L	91.9	Very high	87	Confident	25 Å²	25	26.2 Å²	26.2	13%	0.131	15%	0.154	C	C	.	.	H	α-helix	trans	-51.9	-44.5	179.9	177.1	66	0	0	0	112.5	T167 L173 I174 S175 Y283 L284 K287 V288	T167-L171 WeakPolarHBondContact O-CA 3.45Å; T167-L171 WeakPolarHBondContact O-CB 3.35Å; T167-L171 PolarHBondContact O-N 3.41Å; L171-L173 VanDerWaalsContact C-N 3.35Å; L171-L173 PolarHBondContact O-N 3.03Å; L171-I174 PolarHBondContact O-N 2.67Å; L171-S175 WeakPolarHBondContact CD1-OG 3.36Å; L171-S175 VanDerWaalsContact O-CB 3.28Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 3.42Å; L171-S175 PolarHBondContact O-OG 2.85Å; L171-S175 VanDerWaalsContact O-OG 3.13Å; L171-Y283 HydrophobicContact CD2-CE1 3.95Å; L171-L284 HydrophobicContact CD1-CD1 3.77Å; L171-K287 HydrophobicContact CD1-CB 3.79Å; L171-K287 HydrophobicContact CD1-CG 4.46Å; L171-K287 HydrophobicContact CD2-CB 4.21Å; L171-K287 HydrophobicContact CD2-CG 4.04Å; L171-V288 HydrophobicContact CD1-CG2 4.23Å
172	P	89.6	Confident	88.2	Confident	14 Å²	14	25.5 Å²	25.5	9%	0.091	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-37.4	179	-25.1	36.9	0	0	0	114.1	A137 F138 D168 Y170 T176	A137-P172 HydrophobicContact CB-CB 3.99Å; A137-P172 HydrophobicContact CB-CG 4.43Å; A137-P172 VanDerWaalsContact O-CG 3.22Å; A137-P172 WeakPolarHBondContact O-CG 3.47Å; F138-P172 HydrophobicContact CD1-CG 3.97Å; F138-P172 HydrophobicContact CD2-CB 4.43Å; F138-P172 HydrophobicContact CD2-CG 4.46Å; F138-P172 HydrophobicContact CE1-CB 4.07Å; F138-P172 HydrophobicContact CE1-CG 3.77Å; F138-P172 HydrophobicContact CE2-CB 3.88Å; F138-P172 HydrophobicContact CE2-CG 4.27Å; F138-P172 HydrophobicContact CG-CG 4.32Å; F138-P172 HydrophobicContact CZ-CB 3.69Å; F138-P172 HydrophobicContact CZ-CG 3.93Å; D168-P172 WeakPolarHBondContact O-CD 3.44Å; Y170-P172 VanDerWaalsContact C-CD 3.49Å; Y170-P172 VanDerWaalsContact C-N 3.32Å; P172-T176 WeakPolarHBondContact O-CB 2.99Å; P172-T176 VanDerWaalsContact O-CG2 3.31Å; P172-T176 WeakPolarHBondContact O-CG2 3.46Å; P172-T176 PolarHBondContact O-N 3.48Å; P172-T176 VanDerWaalsContact O-N 3.17Å; P172-T176 PolarHBondContact O-OG1 3.4Å
173	L	89.1	Confident	89.4	Confident	3 Å²	3	21.8 Å²	21.8	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-67.6	-49.4	176	-73.3	170.9	0	0	0	110.6	Y170 L171 S175 T176 T177 Y179 A334 N337 F338	Y170-L173 HydrophobicContact CD1-CD1 4.22Å; Y170-L173 PolarHBondContact O-N 2.98Å; Y170-L173 VanDerWaalsContact O-N 3.08Å; L171-L173 VanDerWaalsContact C-N 3.35Å; L171-L173 PolarHBondContact O-N 3.03Å; L173-S175 PolarHBondContact O-N 3.38Å; L173-T176 PolarHBondContact O-N 3.17Å; L173-T177 WeakPolarHBondContact O-CB 3.43Å; L173-T177 PolarHBondContact O-N 3.11Å; L173-T177 PolarHBondContact O-OG1 3.41Å; L173-Y179 CarbonylContact C-O 3.25Å; L173-Y179 VanDerWaalsContact C-O 3.31Å; L173-Y179 WeakPolarHBondContact CB-O 3.49Å; L173-A334 HydrophobicContact CD1-CB 4.11Å; L173-N337 HydrophobicContact CD1-CB 4.26Å; L173-N337 HydrophobicContact CD2-CB 4.15Å; L173-F338 HydrophobicContact CD2-CB 3.81Å
174	I	89.8	Confident	89.9	Confident	5 Å²	5	15.7 Å²	15.7	3%	0.026	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-47.6	179.1	-63.3	-70.5	0	0	0	110.7	Y170 L171 T176 G178 F183 L185 L284 V288	Y170-I174 WeakPolarHBondContact O-CG1 3.09Å; Y170-I174 PolarHBondContact O-N 3.24Å; L171-I174 PolarHBondContact O-N 2.67Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.01Å; I174-G178 WeakPolarHBondContact O-CA 3.3Å; I174-G178 PolarHBondContact O-N 2.82Å; I174-F183 HydrophobicContact CD1-CD2 4.13Å; I174-F183 HydrophobicContact CD1-CE1 4.32Å; I174-F183 HydrophobicContact CD1-CE2 3.67Å; I174-F183 HydrophobicContact CD1-CZ 3.76Å; I174-F183 HydrophobicContact CG1-CE2 4.35Å; I174-F183 HydrophobicContact CG1-CZ 4.07Å; I174-L185 HydrophobicContact CG2-CB 4.17Å; I174-L185 HydrophobicContact CG2-CD2 3.85Å; I174-L284 HydrophobicContact CB-CD1 4.39Å; I174-L284 HydrophobicContact CG2-CD1 4.15Å; I174-V288 HydrophobicContact CG2-CG2 3.89Å
175	S	85	Confident	90.1	Very high	35 Å²	35	15.7 Å²	15.7	25%	0.245	10%	0.098	C	C	.	.	H	α-helix	trans	-66.2	-28.2	-179.1	-67.9	0	0	0	0	113.8	L171 L173	L171-S175 WeakPolarHBondContact CD1-OG 3.36Å; L171-S175 VanDerWaalsContact O-CB 3.28Å; L171-S175 WeakPolarHBondContact O-CB 3.43Å; L171-S175 PolarHBondContact O-N 3.42Å; L171-S175 PolarHBondContact O-OG 2.85Å; L171-S175 VanDerWaalsContact O-OG 3.13Å; L173-S175 PolarHBondContact O-N 3.38Å
176	T	78.4	Confident	89.8	Confident	56 Å²	56	15.9 Å²	15.9	34%	0.344	10%	0.096	S	C	.	.	H	α-helix	trans	-103	-21.2	-175.6	60.8	0	0	0	0	114.8	P172 L173 I174 F338 R345	P172-T176 WeakPolarHBondContact O-CB 2.99Å; P172-T176 VanDerWaalsContact O-CG2 3.31Å; P172-T176 WeakPolarHBondContact O-CG2 3.46Å; P172-T176 PolarHBondContact O-N 3.48Å; P172-T176 VanDerWaalsContact O-N 3.17Å; P172-T176 PolarHBondContact O-OG1 3.4Å; L173-T176 PolarHBondContact O-N 3.17Å; I174-T176 VanDerWaalsContact C-N 3.31Å; I174-T176 PolarHBondContact O-N 3.01Å; T176-F338 HydrophobicContact CG2-CE2 4.08Å; T176-R345 PolarHBondContact O-NH2 2.78Å
177	T	78.9	Confident	89.2	Confident	28 Å²	28	19.2 Å²	19.2	17%	0.172	11%	0.113	C	C	.	.	H	α-helix	trans	-126.4	-17	-175.6	73.9	0	0	0	0	113.9	L173 Y179 E341	L173-T177 WeakPolarHBondContact O-CB 3.43Å; L173-T177 PolarHBondContact O-N 3.11Å; L173-T177 PolarHBondContact O-OG1 3.41Å; T177-Y179 VanDerWaalsContact C-N 3.26Å; T177-Y179 VanDerWaalsContact CB-CE1 3.47Å; T177-Y179 HydrophobicContact CG2-CE1 4.43Å; T177-Y179 VanDerWaalsContact O-CD1 3.29Å; T177-Y179 WeakPolarHBondContact O-CD1 3.38Å; T177-Y179 WeakPolarHBondContact OG1-CD1 3.44Å; T177-Y179 PolarHBondContact OG1-N 3.14Å; T177-Y179 PolarHBondContact OG1-O 3.14Å; T177-Y179 VanDerWaalsContact OG1-O 3.04Å; T177-E341 HydrophobicContact CG2-CB 4.17Å; T177-E341 HydrophobicContact CG2-CG 4.25Å
178	G	86.5	Confident	88.3	Confident	25 Å²	25	19.6 Å²	19.6	26%	0.258	12%	0.116	S	C	.	.	S	Bend	trans	80.1	0.9	-172.8	0	0	0	0	0	113.8	I174 S184 L185	I174-G178 WeakPolarHBondContact O-CA 3.3Å; I174-G178 PolarHBondContact O-N 2.82Å; G178-S184 CarbonylContact O-C 3.58Å; G178-S184 WeakPolarHBondContact O-CA 3.47Å; G178-L185 PolarHBondContact O-N 3.13Å
179	Y	89.6	Confident	87	Confident	23 Å²	23	24.8 Å²	24.8	9%	0.09	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-146.2	164.8	-179.5	66.1	-90.9	0	0	0	113.6	L173 T177 S184 Q200 S203 E341	L173-Y179 CarbonylContact C-O 3.25Å; L173-Y179 VanDerWaalsContact C-O 3.31Å; L173-Y179 WeakPolarHBondContact CB-O 3.49Å; T177-Y179 VanDerWaalsContact C-N 3.26Å; T177-Y179 VanDerWaalsContact CB-CE1 3.47Å; T177-Y179 HydrophobicContact CG2-CE1 4.43Å; T177-Y179 VanDerWaalsContact O-CD1 3.29Å; T177-Y179 WeakPolarHBondContact O-CD1 3.38Å; T177-Y179 WeakPolarHBondContact OG1-CD1 3.44Å; T177-Y179 PolarHBondContact OG1-N 3.14Å; T177-Y179 PolarHBondContact OG1-O 3.14Å; T177-Y179 VanDerWaalsContact OG1-O 3.04Å; Y179-S184 VanDerWaalsContact CB-OG 3.25Å; Y179-S184 WeakPolarHBondContact CB-OG 3.45Å; Y179-Q200 HydrophobicContact CD2-CB 4.07Å; Y179-Q200 WeakPolarHBondContact CD2-O 3.48Å; Y179-Q200 HydrophobicContact CE2-CB 4.45Å; Y179-S203 VanDerWaalsContact OH-CB 3.31Å; Y179-S203 WeakPolarHBondContact OH-CB 3.43Å; Y179-S203 PolarHBondContact OH-N 3.4Å; Y179-E341 VanDerWaalsContact OH-CG 3.24Å; Y179-E341 WeakPolarHBondContact OH-CG 2.85Å; Y179-E341 PolarHBondContact OH-OE1 3.14Å; Y179-E341 PolarHBondContact OH-OE2 3.32Å
180	S	91.7	Very high	85.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.007	18%	0.177	C	C	.	.			trans	-138	171.3	173.3	66.7	0	0	0	0	108.9	L182 F183 G199 Q200	S180-L182 PolarHBondContact O-N 3.47Å; S180-L182 VanDerWaalsContact O-N 3.09Å; S180-L182 PolarHBondContact OG-N 3.1Å; S180-F183 PolarHBondContact N-O 2.9Å; S180-F183 PolarHBondContact OG-N 3.27Å; S180-F183 VanDerWaalsContact OG-N 3.11Å; S180-F183 PolarHBondContact OG-O 3.07Å; S180-G199 CarbonylContact O-C 3.5Å; S180-G199 WeakPolarHBondContact O-CA 3.32Å; S180-Q200 CarbonylContact C-O 3.54Å; S180-Q200 PolarHBondContact O-N 2.83Å
181	P	90	Very high	84.4	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.019	20%	0.195	C	C	.	.	S	Bend	trans	-58.3	-16.2	168.7	-27.1	36.5	0	0	0	114.8	Y170 L201 F252 N337	Y170-P181 HydrophobicContact CE1-CG 4.26Å; P181-L201 HydrophobicContact CB-CD2 3.8Å; P181-L201 HydrophobicContact CG-CD2 4.09Å; P181-F252 VanDerWaalsContact O-CE2 3.28Å; P181-F252 WeakPolarHBondContact O-CE2 3.32Å; P181-F252 WeakPolarHBondContact O-CZ 3.3Å; P181-N337 WeakPolarHBondContact CG-ND2 3.35Å
182	L	92.7	Very high	83.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-94.8	-50.7	179	175.7	57.8	0	0	0	112.5	L166 Y170 S180 G199 I279 F310 R313 C314 H317	L166-L182 HydrophobicContact CD2-CD2 4.01Å; Y170-L182 HydrophobicContact CD2-CB 4.23Å; Y170-L182 HydrophobicContact CE2-CB 3.63Å; Y170-L182 HydrophobicContact CE2-CD2 4.43Å; S180-L182 PolarHBondContact O-N 3.47Å; S180-L182 VanDerWaalsContact O-N 3.09Å; S180-L182 PolarHBondContact OG-N 3.1Å; L182-G199 VanDerWaalsContact C-CA 3.5Å; L182-G199 WeakPolarHBondContact O-CA 3.34Å; L182-G199 PolarHBondContact O-N 2.94Å; L182-I279 HydrophobicContact CD2-CD1 4.3Å; L182-I279 HydrophobicContact CD2-CG1 4.21Å; L182-F310 HydrophobicContact CD1-CE2 4.17Å; L182-F310 HydrophobicContact CG-CE2 4.07Å; L182-R313 HydrophobicContact CD1-CB 3.88Å; L182-C314 HydrophobicContact CD1-CB 4.13Å; L182-H317 HydrophobicContact CD2-CB 4.45Å
183	F	93.2	Very high	83.2	Confident	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.5	-176.8	67.2	-77.7	0	0	0	112.5	I174 S180 L185 I196 S197 G199 I279 W281 L284 F310	I174-F183 HydrophobicContact CD1-CD2 4.13Å; I174-F183 HydrophobicContact CD1-CE1 4.32Å; I174-F183 HydrophobicContact CD1-CE2 3.67Å; I174-F183 HydrophobicContact CD1-CZ 3.76Å; I174-F183 HydrophobicContact CG1-CE2 4.35Å; I174-F183 HydrophobicContact CG1-CZ 4.07Å; S180-F183 PolarHBondContact N-O 2.9Å; S180-F183 PolarHBondContact OG-N 3.27Å; S180-F183 VanDerWaalsContact OG-N 3.11Å; S180-F183 PolarHBondContact OG-O 3.07Å; F183-L185 HydrophobicContact CD2-CB 4.36Å; F183-L185 HydrophobicContact CE2-CB 4.12Å; F183-I196 HydrophobicContact CB-CG2 3.95Å; F183-I196 HydrophobicContact CD2-CD1 4.29Å; F183-I196 HydrophobicContact CD2-CG2 4.11Å; F183-I196 HydrophobicContact CG-CG2 4.29Å; F183-S197 WeakPolarHBondContact CA-O 3.46Å; F183-G199 VanDerWaalsContact C-CA 3.48Å; F183-G199 VanDerWaalsContact CA-N 3.34Å; F183-I279 HydrophobicContact CE1-CD1 4.14Å; F183-I279 HydrophobicContact CE1-CG1 4.33Å; F183-W281 HydrophobicContact CD1-CH2 4.44Å; F183-W281 HydrophobicContact CD2-CH2 4.13Å; F183-W281 HydrophobicContact CD2-CZ3 4.34Å; F183-W281 HydrophobicContact CE1-CH2 4.29Å; F183-W281 AromaticContact CE2-CH2 3.95Å; F183-W281 HydrophobicContact CE2-CH2 3.95Å; F183-W281 AromaticContact CE2-CZ3 3.82Å; F183-W281 HydrophobicContact CE2-CZ3 3.82Å; F183-W281 HydrophobicContact CG-CH2 4.38Å; F183-W281 HydrophobicContact CZ-CH2 4.05Å; F183-W281 HydrophobicContact CZ-CZ3 4.04Å; F183-L284 HydrophobicContact CE2-CD2 3.88Å; F183-L284 HydrophobicContact CZ-CD2 3.51Å; F183-F310 HydrophobicContact CB-CD2 4.3Å; F183-F310 HydrophobicContact CB-CE2 3.65Å; F183-F310 HydrophobicContact CB-CZ 4.27Å; F183-F310 HydrophobicContact CD1-CE2 4.3Å; F183-F310 HydrophobicContact CG-CE2 4.2Å; F183-F310 HydrophobicContact CG-CZ 4.44Å
184	S	91.8	Very high	83.3	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.063	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.9	165.2	-43.3	0	0	0	0	109.5	G178 Y179 I196 S197 S198	G178-S184 CarbonylContact O-C 3.58Å; G178-S184 WeakPolarHBondContact O-CA 3.47Å; Y179-S184 VanDerWaalsContact CB-OG 3.25Å; Y179-S184 WeakPolarHBondContact CB-OG 3.45Å; S184-I196 WeakPolarHBondContact O-CA 3.48Å; S184-S197 WeakPolarHBondContact CB-OG 3.29Å; S184-S197 PolarHBondContact N-O 3.16Å; S184-S197 PolarHBondContact O-N 2.69Å; S184-S198 PolarHBondContact OG-O 3.46Å
185	L	90.8	Very high	83.3	Confident	14 Å²	14	40.7 Å²	40.7	7%	0.073	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.3	-179.9	175.6	66.7	0	0	0	108.2	I174 G178 F183 I194 I196 F285 V288	I174-L185 HydrophobicContact CG2-CB 4.17Å; I174-L185 HydrophobicContact CG2-CD2 3.85Å; G178-L185 PolarHBondContact O-N 3.13Å; F183-L185 HydrophobicContact CD2-CB 4.36Å; F183-L185 HydrophobicContact CE2-CB 4.12Å; L185-I194 HydrophobicContact CD1-CG2 3.42Å; L185-I194 VanDerWaalsContact CD1-CG2 3.42Å; L185-I196 HydrophobicContact CD1-CD1 3.41Å; L185-I196 VanDerWaalsContact CD1-CD1 3.41Å; L185-F285 HydrophobicContact CD1-CE1 3.83Å; L185-F285 HydrophobicContact CD2-CD1 4.38Å; L185-F285 HydrophobicContact CD2-CE1 4.3Å; L185-V288 HydrophobicContact CD2-CB 4.37Å; L185-V288 HydrophobicContact CD2-CG1 4.01Å; L185-V288 HydrophobicContact CD2-CG2 4.28Å
186	D	85.5	Confident	83.7	Confident	46 Å²	46	39 Å²	39	25%	0.246	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	174	177	69.9	92.8	0	0	0	111.1	R195	D186-R195 PolarHBondContact N-O 3.22Å; D186-R195 VanDerWaalsContact N-O 3.08Å; D186-R195 PolarHBondContact O-N 3.49Å; D186-R195 IonicContact OD1-CZ 2.79Å; D186-R195 IonicContact OD1-NE 3.76Å; D186-R195 PolarHBondContact OD1-NE 2.9Å; D186-R195 IonicContact OD1-NH2 3.55Å; D186-R195 PolarHBondContact OD1-NH2 3.09Å; D186-R195 IonicContact OD2-CZ 3.83Å; D186-R195 IonicContact OD2-NE 2.75Å; D186-R195 PolarHBondContact OD2-NE 3.27Å; D186-R195 IonicContact OD2-NH2 3.67Å
187	I	83.3	Confident	84.3	Confident	71 Å²	71	37 Å²	37	36%	0.364	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.5	171.7	-62.5	-60.7	0	0	0	107.2	E189 A193 I194 F289 L300	I187-E189 PolarHBondContact O-N 3.29Å; I187-E189 VanDerWaalsContact O-N 3.15Å; I187-A193 WeakPolarHBondContact CA-O 3.44Å; I187-I194 HydrophobicContact CD1-CG1 3.98Å; I187-F289 HydrophobicContact CD1-CE1 3.86Å; I187-F289 HydrophobicContact CD1-CZ 4.07Å; I187-F289 HydrophobicContact CG1-CE1 4.45Å; I187-L300 HydrophobicContact CD1-CD1 3.88Å
188	D	75.9	Confident	84.6	Confident	11 Å²	11	37 Å²	37	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	110.9	167.4	-165.8	-58.8	0	0	0	108.3	E190 D191 R192 A193 R195	D188-E190 VanDerWaalsContact C-N 3.33Å; D188-E190 PolarHBondContact O-N 3.44Å; D188-E190 PolarHBondContact OD1-N 2.81Å; D188-E190 VanDerWaalsContact OD1-N 3.14Å; D188-D191 HydrophobicContact CB-CB 4.17Å; D188-D191 PolarHBondContact OD1-N 3.5Å; D188-R192 WeakPolarHBondContact O-CA 3.33Å; D188-R192 PolarHBondContact O-N 2.98Å; D188-A193 HydrophobicContact CB-CB 4.34Å; D188-A193 PolarHBondContact N-O 3.43Å; D188-A193 PolarHBondContact O-N 3.4Å; D188-R195 HydrophobicContact CB-CB 4.27Å; D188-R195 IonicContact OD2-CZ 3.69Å; D188-R195 IonicContact OD2-NH1 3.75Å; D188-R195 PolarHBondContact OD2-NH1 3.08Å
189	E	66.4	Low	84.6	Confident	145 Å²	145	36 Å²	36	68%	0.678	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-32.2	-174	-64.6	-177.2	169.2	0	0	112.7	I187	I187-E189 PolarHBondContact O-N 3.29Å; I187-E189 VanDerWaalsContact O-N 3.15Å
190	E	64	Low	84.1	Confident	176 Å²	176	37.2 Å²	37.2	82%	0.822	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-52.5	-179.5	-64	-173.6	172.3	0	0	110.1	D188	D188-E190 VanDerWaalsContact C-N 3.33Å; D188-E190 PolarHBondContact O-N 3.44Å; D188-E190 PolarHBondContact OD1-N 2.81Å; D188-E190 VanDerWaalsContact OD1-N 3.14Å
191	D	68.3	Low	83.4	Confident	74 Å²	74	38 Å²	38	40%	0.396	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.3	-176.7	-75.5	-60.5	0	0	0	114.1	D188 A193 K303	D188-D191 HydrophobicContact CB-CB 4.17Å; D188-D191 PolarHBondContact OD1-N 3.5Å; D191-A193 HydrophobicContact CB-CB 4.16Å; D191-A193 PolarHBondContact O-N 2.64Å; D191-K303 HydrophobicContact CB-CD 4.39Å; D191-K303 IonicContact OD1-NZ 3.72Å; D191-K303 PolarHBondContact OD1-NZ 3Å; D191-K303 IonicContact OD2-NZ 2.92Å; D191-K303 PolarHBondContact OD2-NZ 3.26Å
192	R	72.1	Confident	82.5	Confident	61 Å²	61	38.3 Å²	38.3	23%	0.23	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	40.6	-171.3	-59.7	140.1	169.7	-57.7	-39.5	111.9	D188 L300 P301	D188-R192 WeakPolarHBondContact O-CA 3.33Å; D188-R192 PolarHBondContact O-N 2.98Å; R192-L300 WeakPolarHBondContact O-CD2 3.47Å; R192-P301 WeakPolarHBondContact O-CD 3.42Å
193	A	84.5	Confident	81.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146.8	178.5	0	0	0	0	0	109.7	I187 D188 D191 R195 P301 K303	I187-A193 WeakPolarHBondContact CA-O 3.44Å; D188-A193 HydrophobicContact CB-CB 4.34Å; D188-A193 PolarHBondContact N-O 3.43Å; D188-A193 PolarHBondContact O-N 3.4Å; D191-A193 HydrophobicContact CB-CB 4.16Å; D191-A193 PolarHBondContact O-N 2.64Å; A193-R195 PolarHBondContact O-N 2.66Å; A193-P301 CarbonylContact C-O 3.45Å; A193-P301 WeakPolarHBondContact CA-O 3.19Å; A193-P301 HydrophobicContact CB-CB 4.46Å; A193-P301 HydrophobicContact CB-CG 3.94Å; A193-P301 WeakPolarHBondContact CB-O 3.31Å; A193-K303 HydrophobicContact CB-CB 4.16Å; A193-K303 HydrophobicContact CB-CD 3.85Å; A193-K303 HydrophobicContact CB-CG 3.69Å
194	I	90.3	Very high	79.9	Confident	3 Å²	3	42 Å²	42	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	114.8	158.2	-61.3	171.9	0	0	0	106	L185 I187 I196 F285 F289 L300 P301 I302 K303	L185-I194 HydrophobicContact CD1-CG2 3.42Å; L185-I194 VanDerWaalsContact CD1-CG2 3.42Å; I187-I194 HydrophobicContact CD1-CG1 3.98Å; I194-I196 HydrophobicContact CG2-CD1 4.26Å; I194-F285 HydrophobicContact CD1-CD2 4.36Å; I194-F285 HydrophobicContact CD1-CE2 4.08Å; I194-F285 HydrophobicContact CD1-CZ 4.41Å; I194-F285 HydrophobicContact CG2-CE1 4.2Å; I194-F285 HydrophobicContact CG2-CZ 3.88Å; I194-F289 HydrophobicContact CD1-CE2 3.76Å; I194-F289 HydrophobicContact CD1-CZ 3.87Å; I194-F289 HydrophobicContact CG1-CE2 4.3Å; I194-F289 HydrophobicContact CG1-CZ 3.88Å; I194-F289 HydrophobicContact CG2-CZ 4.4Å; I194-L300 HydrophobicContact CD1-CB 4.31Å; I194-L300 HydrophobicContact CG1-CB 4.01Å; I194-L300 HydrophobicContact CG1-CD1 4.06Å; I194-P301 PolarHBondContact N-O 2.81Å; I194-I302 HydrophobicContact CB-CG1 4.38Å; I194-I302 HydrophobicContact CD1-CG1 4.47Å; I194-I302 CarbonylContact O-C 3.44Å; I194-I302 WeakPolarHBondContact O-CA 3.45Å; I194-K303 PolarHBondContact O-N 2.79Å
195	R	89.9	Confident	78.4	Confident	72 Å²	72	46.3 Å²	46.3	27%	0.272	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.9	179.8	-174.3	167.7	60.9	-166.9	5.1	109.6	D186 D188 A193 K303	D186-R195 PolarHBondContact N-O 3.22Å; D186-R195 VanDerWaalsContact N-O 3.08Å; D186-R195 PolarHBondContact O-N 3.49Å; D186-R195 IonicContact OD1-CZ 2.79Å; D186-R195 IonicContact OD1-NE 3.76Å; D186-R195 PolarHBondContact OD1-NE 2.9Å; D186-R195 IonicContact OD1-NH2 3.55Å; D186-R195 PolarHBondContact OD1-NH2 3.09Å; D186-R195 IonicContact OD2-CZ 3.83Å; D186-R195 IonicContact OD2-NE 2.75Å; D186-R195 PolarHBondContact OD2-NE 3.27Å; D186-R195 IonicContact OD2-NH2 3.67Å; D188-R195 HydrophobicContact CB-CB 4.27Å; D188-R195 IonicContact OD2-CZ 3.69Å; D188-R195 IonicContact OD2-NH1 3.75Å; D188-R195 PolarHBondContact OD2-NH1 3.08Å; A193-R195 PolarHBondContact O-N 2.66Å; R195-K303 CarbonylContact C-O 3.41Å; R195-K303 WeakPolarHBondContact CA-O 3.37Å
196	I	94.5	Very high	77	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	103.9	169.9	-53.6	-58.1	0	0	0	106.8	F183 S184 L185 I194 L272 W281 F285 I302 K303 V304 E305 F310	F183-I196 HydrophobicContact CB-CG2 3.95Å; F183-I196 HydrophobicContact CD2-CD1 4.29Å; F183-I196 HydrophobicContact CD2-CG2 4.11Å; F183-I196 HydrophobicContact CG-CG2 4.29Å; S184-I196 WeakPolarHBondContact O-CA 3.48Å; L185-I196 HydrophobicContact CD1-CD1 3.41Å; L185-I196 VanDerWaalsContact CD1-CD1 3.41Å; I194-I196 HydrophobicContact CG2-CD1 4.26Å; I196-L272 HydrophobicContact CG1-CD1 4.34Å; I196-W281 HydrophobicContact CD1-CH2 4.13Å; I196-W281 HydrophobicContact CD1-CZ3 3.71Å; I196-W281 HydrophobicContact CG1-CH2 4.41Å; I196-W281 HydrophobicContact CG1-CZ3 4.33Å; I196-W281 HydrophobicContact CG2-CH2 4.23Å; I196-F285 HydrophobicContact CD1-CE1 4.44Å; I196-F285 HydrophobicContact CD1-CZ 4.45Å; I196-I302 HydrophobicContact CG1-CG2 4.38Å; I196-K303 PolarHBondContact N-O 2.75Å; I196-V304 HydrophobicContact CB-CG2 4.24Å; I196-V304 WeakPolarHBondContact O-CA 3.21Å; I196-E305 PolarHBondContact O-N 3.21Å; I196-F310 HydrophobicContact CG2-CD1 4.29Å; I196-F310 HydrophobicContact CG2-CE1 3.93Å; I196-F310 HydrophobicContact CG2-CE2 4.26Å; I196-F310 HydrophobicContact CG2-CZ 3.92Å
197	S	89.9	Confident	75.9	Confident	14 Å²	14	48.2 Å²	48.2	10%	0.098	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	169.9	178.5	55.4	0	0	0	0	111.3	F183 S184 G199 E305	F183-S197 WeakPolarHBondContact CA-O 3.46Å; S184-S197 WeakPolarHBondContact CB-OG 3.29Å; S184-S197 PolarHBondContact N-O 3.16Å; S184-S197 PolarHBondContact O-N 2.69Å; S197-G199 PolarHBondContact O-N 3.32Å; S197-E305 WeakPolarHBondContact CB-OE2 3.32Å
198	S	86	Confident	74.9	Confident	27 Å²	27	47 Å²	47	19%	0.189	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	135.1	176.4	-88.5	0	0	0	0	111.5	S184 R313	S184-S198 PolarHBondContact OG-O 3.46Å; S198-R313 PolarHBondContact OG-NH1 2.92Å
199	G	86.7	Confident	74.4	Confident	4 Å²	4	54.9 Å²	54.9	4%	0.041	27%	0.271	C	S	.	.			trans	-63.2	165.4	173.1	0	0	0	0	0	112.1	S180 L182 F183 S197 F252	S180-G199 CarbonylContact O-C 3.5Å; S180-G199 WeakPolarHBondContact O-CA 3.32Å; L182-G199 VanDerWaalsContact C-CA 3.5Å; L182-G199 WeakPolarHBondContact O-CA 3.34Å; L182-G199 PolarHBondContact O-N 2.94Å; F183-G199 VanDerWaalsContact C-CA 3.48Å; F183-G199 VanDerWaalsContact CA-N 3.34Å; S197-G199 PolarHBondContact O-N 3.32Å; G199-F252 WeakPolarHBondContact O-CE1 3.33Å
200	Q	79.1	Confident	74.5	Confident	49 Å²	49	53.7 Å²	53.7	23%	0.229	26%	0.264	C	S	.	.			trans	-139.1	140.3	179.9	-52.8	-176.9	33.8	0	0	108.9	Y179 S180 T202	Y179-Q200 HydrophobicContact CD2-CB 4.07Å; Y179-Q200 WeakPolarHBondContact CD2-O 3.48Å; Y179-Q200 HydrophobicContact CE2-CB 4.45Å; S180-Q200 CarbonylContact C-O 3.54Å; S180-Q200 PolarHBondContact O-N 2.83Å; Q200-T202 VanDerWaalsContact C-N 3.32Å; Q200-T202 WeakPolarHBondContact CB-O 3.44Å; Q200-T202 PolarHBondContact OE1-O 3.41Å
201	L	77.7	Confident	74.9	Confident	16 Å²	16	53.7 Å²	53.7	8%	0.084	26%	0.264	C	S	.	.	S	Bend	trans	-78.3	-23.6	174.1	-66.4	166.6	0	0	0	111.6	P181 F245 V249 F252	P181-L201 HydrophobicContact CB-CD2 3.8Å; P181-L201 HydrophobicContact CG-CD2 4.09Å; L201-F245 HydrophobicContact CB-CE2 4.31Å; L201-F245 HydrophobicContact CD1-CD2 4.45Å; L201-F245 HydrophobicContact CD1-CE2 3.77Å; L201-F245 HydrophobicContact CD1-CZ 4.25Å; L201-F245 HydrophobicContact CD2-CD2 4.27Å; L201-F245 HydrophobicContact CD2-CE2 4.14Å; L201-F245 HydrophobicContact CG-CE2 4.3Å; L201-V249 HydrophobicContact CD1-CG2 3.43Å; L201-V249 VanDerWaalsContact CD1-CG2 3.43Å; L201-F252 HydrophobicContact CD1-CD2 4.15Å; L201-F252 HydrophobicContact CD1-CE2 4.4Å; L201-F252 HydrophobicContact CD2-CE2 4.45Å; L201-F252 HydrophobicContact CG-CD2 4.41Å; L201-F252 HydrophobicContact CG-CE2 4.16Å
202	T	70.5	Confident	75.2	Confident	11 Å²	11	55.6 Å²	55.6	7%	0.067	27%	0.274	C	S	.	.			trans	-147.7	155.8	177.3	-176.7	0	0	0	0	110	Q200 D204 M208 M217	Q200-T202 VanDerWaalsContact C-N 3.32Å; Q200-T202 WeakPolarHBondContact CB-O 3.44Å; Q200-T202 PolarHBondContact OE1-O 3.41Å; T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 WeakPolarHBondContact CG2-O 3.27Å; T202-D204 PolarHBondContact O-N 3.48Å; T202-D204 PolarHBondContact OG1-N 2.96Å; T202-M208 HydrophobicContact CG2-CG 4.43Å; T202-M217 VanDerWaalsContact CB-CE 3.49Å; T202-M217 HydrophobicContact CG2-CE 3.21Å; T202-M217 HydrophobicContact CG2-SD 4.22Å
203	S	65.9	Low	75.1	Confident	43 Å²	43	52.9 Å²	52.9	30%	0.301	27%	0.265	S	S	.	.	S	Bend	trans	-69.6	-17.8	168.2	50.8	0	0	0	0	114.5	Y179 Q205 E341 R344	Y179-S203 VanDerWaalsContact OH-CB 3.31Å; Y179-S203 WeakPolarHBondContact OH-CB 3.43Å; Y179-S203 PolarHBondContact OH-N 3.4Å; S203-Q205 PolarHBondContact O-N 3.14Å; S203-E341 PolarHBondContact N-OE1 2.95Å; S203-E341 PolarHBondContact OG-OE1 3.46Å; S203-E341 PolarHBondContact OG-OE2 3.25Å; S203-R344 PolarHBondContact OG-NE 3.46Å; S203-R344 PolarHBondContact OG-NH2 2.91Å
204	D	64.1	Low	74.7	Confident	36 Å²	36	55 Å²	55	19%	0.193	28%	0.278	C	S	.	.			trans	-97.3	82	177.4	-171.6	-7	0	0	0	111.7	T202 S206 L207	T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 WeakPolarHBondContact CG2-O 3.27Å; T202-D204 PolarHBondContact O-N 3.48Å; T202-D204 PolarHBondContact OG1-N 2.96Å; D204-S206 PolarHBondContact O-N 3.27Å; D204-S206 WeakPolarHBondContact OD1-CA 3.47Å; D204-S206 WeakPolarHBondContact OD1-CB 3.32Å; D204-S206 PolarHBondContact OD1-N 3.44Å; D204-S206 PolarHBondContact OD1-OG 3.42Å; D204-L207 HydrophobicContact CB-CD1 3.81Å; D204-L207 HydrophobicContact CB-CG 4.14Å; D204-L207 WeakPolarHBondContact O-CB 3.48Å; D204-L207 PolarHBondContact O-N 2.98Å; D204-L207 VanDerWaalsContact O-N 3.1Å; D204-L207 PolarHBondContact OD1-N 3.45Å; D204-L207 WeakPolarHBondContact OD2-CG 3.48Å
205	Q	61.8	Low	74.1	Confident	98 Å²	98	57.8 Å²	57.8	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-57.6	-21.8	175.1	-65.6	-171.9	-2.9	0	0	113.5	S203 L207 M208	S203-Q205 PolarHBondContact O-N 3.14Å; Q205-L207 VanDerWaalsContact C-N 3.29Å; Q205-L207 PolarHBondContact O-N 3.38Å; Q205-M208 PolarHBondContact O-N 2.95Å
206	S	61.5	Low	73.4	Confident	57 Å²	57	57.2 Å²	57.2	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-70.5	-27.2	179.9	84.8	0	0	0	0	112.1	D204 K209 K210	D204-S206 PolarHBondContact O-N 3.27Å; D204-S206 WeakPolarHBondContact OD1-CA 3.47Å; D204-S206 WeakPolarHBondContact OD1-CB 3.32Å; D204-S206 PolarHBondContact OD1-N 3.44Å; D204-S206 PolarHBondContact OD1-OG 3.42Å; S206-K209 PolarHBondContact O-N 3.27Å; S206-K210 WeakPolarHBondContact O-CG 3.01Å
207	L	61.7	Low	72.6	Confident	44 Å²	44	57.4 Å²	57.4	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-43.1	174.4	-74.3	168.3	0	0	0	111.3	D204 Q205 K209 K210 G213 M217	D204-L207 HydrophobicContact CB-CD1 3.81Å; D204-L207 HydrophobicContact CB-CG 4.14Å; D204-L207 WeakPolarHBondContact O-CB 3.48Å; D204-L207 PolarHBondContact O-N 2.98Å; D204-L207 VanDerWaalsContact O-N 3.1Å; D204-L207 PolarHBondContact OD1-N 3.45Å; D204-L207 WeakPolarHBondContact OD2-CG 3.48Å; Q205-L207 VanDerWaalsContact C-N 3.29Å; Q205-L207 PolarHBondContact O-N 3.38Å; L207-K209 VanDerWaalsContact C-N 3.27Å; L207-K209 PolarHBondContact O-N 3.44Å; L207-K210 PolarHBondContact O-N 3.24Å; L207-G213 WeakPolarHBondContact O-CA 3.3Å; L207-M217 HydrophobicContact CB-CE 4.41Å; L207-M217 HydrophobicContact CD1-CE 4.37Å
208	M	61.8	Low	72.1	Confident	46 Å²	46	58.9 Å²	58.9	23%	0.227	31%	0.305	C	S	.	.	H	α-helix	trans	-67	-26.9	-179.2	-68.8	-59.4	-65.4	0	0	113.4	T202 Q205 V214 M217 V249	T202-M208 HydrophobicContact CG2-CG 4.43Å; Q205-M208 PolarHBondContact O-N 2.95Å; M208-V214 HydrophobicContact CE-CG2 4.44Å; M208-M217 HydrophobicContact SD-CB 4.43Å; M208-M217 HydrophobicContact SD-CE 4.28Å; M208-V249 HydrophobicContact CE-CG1 4.14Å; M208-V249 HydrophobicContact CE-CG2 4.32Å
209	K	64.9	Low	71.9	Confident	176 Å²	176	61.4 Å²	61.4	77%	0.765	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-8.9	-179.2	-67.1	-178.3	-178.3	-179.7	0	113.9	S206 L207	S206-K209 PolarHBondContact O-N 3.27Å; L207-K209 VanDerWaalsContact C-N 3.27Å; L207-K209 PolarHBondContact O-N 3.44Å
210	K	69.4	Low	71.5	Confident	119 Å²	119	63.7 Å²	63.7	52%	0.517	33%	0.33	S	S	.	.	S	Bend	trans	-86.6	155.5	-178.7	-72.9	171.4	-175.2	174.3	0	111.4	S206 L207 N212 G213	S206-K210 WeakPolarHBondContact O-CG 3.01Å; L207-K210 PolarHBondContact O-N 3.24Å; K210-N212 PolarHBondContact O-N 3.47Å; K210-G213 PolarHBondContact O-N 2.91Å
211	E	72.8	Confident	71.7	Confident	177 Å²	177	61.4 Å²	61.4	83%	0.827	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	129.7	163.6	-164.9	173.1	-173.7	0	0	108.6	G213	E211-G213 VanDerWaalsContact C-N 3.34Å; E211-G213 PolarHBondContact O-N 3.23Å
212	N	73.4	Confident	71.9	Confident	113 Å²	113	65 Å²	65	60%	0.604	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	17.2	-172.5	-50.7	-40.1	0	0	0	116.8	K210 V214 S215 N216	K210-N212 PolarHBondContact O-N 3.47Å; N212-V214 VanDerWaalsContact C-N 3.28Å; N212-V214 PolarHBondContact O-N 3.18Å; N212-S215 WeakPolarHBondContact O-CB 3.34Å; N212-S215 PolarHBondContact O-N 3.14Å; N212-N216 PolarHBondContact O-N 3.34Å; N212-N216 PolarHBondContact O-ND2 3.49Å
213	G	71.9	Confident	72.3	Confident	4 Å²	4	68.7 Å²	68.7	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-52.8	-40	-179.7	0	0	0	0	0	114.8	L207 K210 E211 M217	L207-G213 WeakPolarHBondContact O-CA 3.3Å; K210-G213 PolarHBondContact O-N 2.91Å; E211-G213 VanDerWaalsContact C-N 3.34Å; E211-G213 PolarHBondContact O-N 3.23Å; G213-M217 PolarHBondContact O-N 2.96Å; G213-M217 VanDerWaalsContact O-N 3.1Å
214	V	75.2	Confident	73.1	Confident	45 Å²	45	66.7 Å²	66.7	27%	0.273	34%	0.341	S	S	.	.	H	α-helix	trans	-65	-45.7	176.4	-176	0	0	0	0	111.6	M208 N212 N216 M217 K218 F245 V249 L253	M208-V214 HydrophobicContact CE-CG2 4.44Å; N212-V214 VanDerWaalsContact C-N 3.28Å; N212-V214 PolarHBondContact O-N 3.18Å; V214-N216 PolarHBondContact O-N 3.33Å; V214-M217 WeakPolarHBondContact O-CB 3.29Å; V214-M217 PolarHBondContact O-N 3.04Å; V214-K218 WeakPolarHBondContact O-CG 3.32Å; V214-K218 PolarHBondContact O-N 3.23Å; V214-F245 HydrophobicContact CG1-CE1 4.23Å; V214-V249 HydrophobicContact CB-CG1 4.36Å; V214-V249 HydrophobicContact CG1-CG1 3.93Å; V214-V249 HydrophobicContact CG1-CG2 4.45Å; V214-V249 HydrophobicContact CG2-CG1 3.52Å; V214-L253 HydrophobicContact CG2-CD1 4.22Å
215	S	78.3	Confident	74.1	Confident	62 Å²	62	65 Å²	65	43%	0.434	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-47.3	177.7	-167.6	0	0	0	0	111	N212 M217 K218 D219	N212-S215 WeakPolarHBondContact O-CB 3.34Å; N212-S215 PolarHBondContact O-N 3.14Å; S215-M217 PolarHBondContact O-N 3.13Å; S215-K218 WeakPolarHBondContact O-CB 3.43Å; S215-K218 PolarHBondContact O-N 3.41Å; S215-K218 VanDerWaalsContact O-N 3.09Å; S215-D219 VanDerWaalsContact O-CG 3.29Å; S215-D219 PolarHBondContact O-N 3.3Å
216	N	75	Confident	74.9	Confident	60 Å²	60	65.8 Å²	65.8	32%	0.321	34%	0.339	S	S	.	.	H	α-helix	trans	-59.5	-34.9	178.1	-65.6	-23.5	0	0	0	112	N212 V214 D219 V220	N212-N216 PolarHBondContact O-N 3.34Å; N212-N216 PolarHBondContact O-ND2 3.49Å; V214-N216 PolarHBondContact O-N 3.33Å; N216-D219 PolarHBondContact O-N 2.61Å; N216-V220 WeakPolarHBondContact O-CG2 3.38Å; N216-V220 PolarHBondContact O-N 3.4Å; N216-V220 VanDerWaalsContact O-N 3.08Å
217	M	76.2	Confident	75.6	Confident	4 Å²	4	64 Å²	64	2%	0.02	33%	0.327	C	S	.	.	H	α-helix	trans	-71.1	-39.7	177	-165.8	56.4	52.7	0	0	112.1	T202 L207 M208 G213 V214 S215 D219 V220 L221 F245	T202-M217 VanDerWaalsContact CB-CE 3.49Å; T202-M217 HydrophobicContact CG2-CE 3.21Å; T202-M217 HydrophobicContact CG2-SD 4.22Å; L207-M217 HydrophobicContact CB-CE 4.41Å; L207-M217 HydrophobicContact CD1-CE 4.37Å; M208-M217 HydrophobicContact SD-CB 4.43Å; M208-M217 HydrophobicContact SD-CE 4.28Å; G213-M217 PolarHBondContact O-N 2.96Å; G213-M217 VanDerWaalsContact O-N 3.1Å; V214-M217 WeakPolarHBondContact O-CB 3.29Å; V214-M217 PolarHBondContact O-N 3.04Å; S215-M217 PolarHBondContact O-N 3.13Å; M217-D219 VanDerWaalsContact C-N 3.29Å; M217-D219 PolarHBondContact O-N 2.98Å; M217-V220 WeakPolarHBondContact O-CB 3.26Å; M217-V220 PolarHBondContact O-N 3.13Å; M217-V220 HydrophobicContact SD-CB 4.5Å; M217-L221 PolarHBondContact O-N 2.91Å; M217-F245 HydrophobicContact CB-CE1 4.3Å; M217-F245 HydrophobicContact CB-CE2 4.42Å; M217-F245 HydrophobicContact CB-CZ 3.6Å; M217-F245 HydrophobicContact CG-CE1 4.33Å; M217-F245 HydrophobicContact CG-CE2 3.6Å; M217-F245 HydrophobicContact CG-CZ 3.27Å
218	K	81.2	Confident	76.5	Confident	45 Å²	45	61.9 Å²	61.9	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-45	172	-65.4	-178.3	86.3	162.8	0	109.8	V214 S215 V220 L221 Y222 F245 D246	V214-K218 WeakPolarHBondContact O-CG 3.32Å; V214-K218 PolarHBondContact O-N 3.23Å; S215-K218 WeakPolarHBondContact O-CB 3.43Å; S215-K218 PolarHBondContact O-N 3.41Å; S215-K218 VanDerWaalsContact O-N 3.09Å; K218-V220 PolarHBondContact O-N 2.83Å; K218-L221 CarbonylContact O-C 3.55Å; K218-L221 WeakPolarHBondContact O-CA 3.28Å; K218-L221 WeakPolarHBondContact O-CB 3.36Å; K218-L221 PolarHBondContact O-N 2.76Å; K218-Y222 HydrophobicContact CB-CD2 4.3Å; K218-Y222 HydrophobicContact CB-CE2 4.22Å; K218-Y222 WeakPolarHBondContact O-CD2 3.37Å; K218-Y222 PolarHBondContact O-N 2.85Å; K218-F245 HydrophobicContact CD-CD1 4.36Å; K218-F245 HydrophobicContact CD-CE1 4.4Å; K218-F245 HydrophobicContact CG-CD1 3.76Å; K218-F245 HydrophobicContact CG-CE1 3.58Å; K218-D246 WeakPolarHBondContact CD-OD1 3.08Å; K218-D246 VanDerWaalsContact CE-OD1 3.31Å; K218-D246 WeakPolarHBondContact CE-OD1 3.27Å; K218-D246 IonicContact NZ-OD1 3.42Å; K218-D246 PolarHBondContact NZ-OD1 3.21Å; K218-D246 IonicContact NZ-OD2 3.92Å; K218-D246 PolarHBondContact NZ-OD2 2.8Å
219	D	80	Confident	77.1	Confident	80 Å²	80	63.7 Å²	63.7	43%	0.428	33%	0.326	S	S	.	.	H	α-helix	trans	-57	-39.1	176.7	-62.8	-26.6	0	0	0	111.9	S215 N216 M217 Y222 V223	S215-D219 VanDerWaalsContact O-CG 3.29Å; S215-D219 PolarHBondContact O-N 3.3Å; N216-D219 PolarHBondContact O-N 2.61Å; M217-D219 VanDerWaalsContact C-N 3.29Å; M217-D219 PolarHBondContact O-N 2.98Å; D219-Y222 WeakPolarHBondContact O-CB 3.37Å; D219-Y222 PolarHBondContact O-N 3.29Å; D219-V223 WeakPolarHBondContact O-CB 3.46Å; D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 2.95Å; D219-V223 PolarHBondContact O-N 2.86Å
220	V	79.5	Confident	77.5	Confident	53 Å²	53	56.3 Å²	56.3	32%	0.321	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-42.1	173.7	169.8	0	0	0	0	112	N216 M217 K218 S224 A340	N216-V220 WeakPolarHBondContact O-CG2 3.38Å; N216-V220 PolarHBondContact O-N 3.4Å; N216-V220 VanDerWaalsContact O-N 3.08Å; M217-V220 WeakPolarHBondContact O-CB 3.26Å; M217-V220 PolarHBondContact O-N 3.13Å; M217-V220 HydrophobicContact SD-CB 4.5Å; K218-V220 PolarHBondContact O-N 2.83Å; V220-S224 WeakPolarHBondContact O-CB 3.32Å; V220-S224 PolarHBondContact O-N 2.81Å; V220-S224 PolarHBondContact O-OG 3.05Å; V220-A340 HydrophobicContact CG1-CB 3.73Å
221	L	83	Confident	77.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-40.5	174.6	-64.9	175.3	0	0	0	112	M217 K218 S224 A225 F242 F245 L333 L336 N337	M217-L221 PolarHBondContact O-N 2.91Å; K218-L221 CarbonylContact O-C 3.55Å; K218-L221 WeakPolarHBondContact O-CA 3.28Å; K218-L221 WeakPolarHBondContact O-CB 3.36Å; K218-L221 PolarHBondContact O-N 2.76Å; L221-S224 WeakPolarHBondContact O-CB 3.48Å; L221-S224 PolarHBondContact O-N 2.91Å; L221-S224 VanDerWaalsContact O-N 3.17Å; L221-A225 PolarHBondContact O-N 2.9Å; L221-F242 HydrophobicContact CB-CD1 4.49Å; L221-F242 HydrophobicContact CB-CE1 3.67Å; L221-F242 HydrophobicContact CB-CZ 4.4Å; L221-F242 HydrophobicContact CD1-CE1 4.49Å; L221-F245 HydrophobicContact CD1-CB 4.33Å; L221-F245 HydrophobicContact CD1-CD1 4.35Å; L221-F245 HydrophobicContact CD1-CD2 3.6Å; L221-F245 HydrophobicContact CD1-CE2 3.98Å; L221-F245 HydrophobicContact CD1-CG 3.82Å; L221-L333 HydrophobicContact CD1-CD1 3.89Å; L221-L333 HydrophobicContact CD2-CD1 4.4Å; L221-L336 HydrophobicContact CD2-CB 3.77Å; L221-N337 WeakPolarHBondContact CD2-OD1 3.44Å
222	Y	82.8	Confident	77.6	Confident	92 Å²	92	46.9 Å²	46.9	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-58.8	-50.5	173.6	-83.7	-80	0	0	0	111.4	K218 D219 S224 A225 D226 F235 F242	K218-Y222 HydrophobicContact CB-CD2 4.3Å; K218-Y222 HydrophobicContact CB-CE2 4.22Å; K218-Y222 WeakPolarHBondContact O-CD2 3.37Å; K218-Y222 PolarHBondContact O-N 2.85Å; D219-Y222 WeakPolarHBondContact O-CB 3.37Å; D219-Y222 PolarHBondContact O-N 3.29Å; Y222-S224 PolarHBondContact O-N 2.85Å; Y222-A225 PolarHBondContact O-N 3.49Å; Y222-D226 PolarHBondContact O-N 3.22Å; Y222-F235 AromaticContact CD1-CE1 3.95Å; Y222-F235 HydrophobicContact CD1-CE1 3.95Å; Y222-F235 AromaticContact CD1-CE2 3.97Å; Y222-F235 HydrophobicContact CD1-CE2 3.97Å; Y222-F235 AromaticContact CD1-CZ 3.17Å; Y222-F235 HydrophobicContact CD1-CZ 3.17Å; Y222-F235 AromaticContact CE1-CE1 3.54Å; Y222-F235 HydrophobicContact CE1-CE1 3.54Å; Y222-F235 HydrophobicContact CE1-CE2 4.39Å; Y222-F235 AromaticContact CE1-CZ 3.23Å; Y222-F235 HydrophobicContact CE1-CZ 3.23Å; Y222-F235 HydrophobicContact CG-CZ 4.33Å; Y222-F242 HydrophobicContact CD1-CE1 4.44Å; Y222-F242 AromaticContact CD1-CZ 3.94Å; Y222-F242 HydrophobicContact CD1-CZ 3.94Å; Y222-F242 AromaticContact CD2-CE1 3.78Å; Y222-F242 HydrophobicContact CD2-CE1 3.78Å; Y222-F242 HydrophobicContact CD2-CZ 4.11Å; Y222-F242 HydrophobicContact CE1-CE1 4.35Å; Y222-F242 HydrophobicContact CE1-CE2 4.11Å; Y222-F242 AromaticContact CE1-CZ 3.89Å; Y222-F242 HydrophobicContact CE1-CZ 3.89Å; Y222-F242 HydrophobicContact CE2-CD1 4.02Å; Y222-F242 AromaticContact CE2-CE1 3.65Å; Y222-F242 HydrophobicContact CE2-CE1 3.65Å; Y222-F242 HydrophobicContact CE2-CZ 4.03Å; Y222-F242 HydrophobicContact CG-CE1 4.11Å; Y222-F242 AromaticContact CG-CZ 3.99Å; Y222-F242 HydrophobicContact CG-CZ 3.99Å; Y222-F242 AromaticContact CZ-CE1 3.91Å; Y222-F242 AromaticContact CZ-CZ 3.88Å
223	V	78.7	Confident	77.8	Confident	88 Å²	88	45.9 Å²	45.9	53%	0.533	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-34.3	175.5	170	0	0	0	0	111.1	D219 D226 S227	D219-V223 WeakPolarHBondContact O-CB 3.46Å; D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 2.95Å; D219-V223 PolarHBondContact O-N 2.86Å; V223-D226 PolarHBondContact O-N 2.93Å; V223-S227 VanDerWaalsContact O-CB 3.28Å; V223-S227 WeakPolarHBondContact O-CB 3.5Å; V223-S227 PolarHBondContact O-N 2.7Å
224	S	82.9	Confident	78.1	Confident	2 Å²	2	47 Å²	47	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-42	178.3	-59.9	0	0	0	0	111.9	V220 L221 Y222 S227 L228 A340	V220-S224 WeakPolarHBondContact O-CB 3.32Å; V220-S224 PolarHBondContact O-N 2.81Å; V220-S224 PolarHBondContact O-OG 3.05Å; L221-S224 WeakPolarHBondContact O-CB 3.48Å; L221-S224 PolarHBondContact O-N 2.91Å; L221-S224 VanDerWaalsContact O-N 3.17Å; Y222-S224 PolarHBondContact O-N 2.85Å; S224-S227 PolarHBondContact O-N 3.37Å; S224-S227 PolarHBondContact O-OG 2.88Å; S224-L228 WeakPolarHBondContact O-CG 3.26Å; S224-A340 WeakPolarHBondContact OG-CA 3.33Å; S224-A340 WeakPolarHBondContact OG-CB 3.43Å; S224-A340 PolarHBondContact OG-N 2.77Å
225	A	84.2	Confident	78.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-44.3	172.1	0	0	0	0	0	112.3	L221 Y222 S227 L228 M230 F235 L238 L336	L221-A225 PolarHBondContact O-N 2.9Å; Y222-A225 PolarHBondContact O-N 3.49Å; A225-S227 VanDerWaalsContact C-N 3.3Å; A225-S227 PolarHBondContact O-N 2.91Å; A225-L228 WeakPolarHBondContact O-CB 3.44Å; A225-L228 PolarHBondContact O-N 3.43Å; A225-L228 VanDerWaalsContact O-N 3.1Å; A225-M230 HydrophobicContact CB-SD 3.93Å; A225-F235 HydrophobicContact CB-CD2 4.14Å; A225-F235 HydrophobicContact CB-CE2 3.68Å; A225-L238 HydrophobicContact CB-CD1 3.56Å; A225-L336 HydrophobicContact CB-CD2 3.85Å
226	D	78.2	Confident	78.5	Confident	114 Å²	114	47.4 Å²	47.4	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-61.1	-38.9	177.2	-175.6	67	0	0	0	112.1	Y222 V223 L228 N229	Y222-D226 PolarHBondContact O-N 3.22Å; V223-D226 PolarHBondContact O-N 2.93Å; D226-L228 PolarHBondContact O-N 3.41Å; D226-N229 PolarHBondContact O-N 3.26Å
227	S	77.3	Confident	78.9	Confident	20 Å²	20	51.1 Å²	51.1	14%	0.14	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-5.9	176.3	78.3	0	0	0	0	114.4	K127 V223 S224 A225 N343	K127-S227 VanDerWaalsContact CG-O 3.28Å; K127-S227 WeakPolarHBondContact CG-O 3.42Å; V223-S227 VanDerWaalsContact O-CB 3.28Å; V223-S227 WeakPolarHBondContact O-CB 3.5Å; V223-S227 PolarHBondContact O-N 2.7Å; S224-S227 PolarHBondContact O-N 3.37Å; S224-S227 PolarHBondContact O-OG 2.88Å; A225-S227 VanDerWaalsContact C-N 3.3Å; A225-S227 PolarHBondContact O-N 2.91Å; S227-N343 WeakPolarHBondContact CB-ND2 3.5Å; S227-N343 PolarHBondContact OG-ND2 3.36Å
228	L	80.5	Confident	79.5	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	3.6	176	-60.1	173.3	0	0	0	112.9	L130 R131 I134 W141 L144 S224 A225 D226 M230 V339	L130-L228 HydrophobicContact CB-CD2 3.99Å; R131-L228 PolarHBondContact NE-O 2.93Å; R131-L228 PolarHBondContact NH2-O 2.81Å; I134-L228 HydrophobicContact CD1-CD1 3.86Å; I134-L228 HydrophobicContact CD1-CD2 3.63Å; I134-L228 HydrophobicContact CD1-CG 4.42Å; W141-L228 HydrophobicContact CE3-CD1 4.48Å; W141-L228 HydrophobicContact CH2-CD1 4.21Å; W141-L228 HydrophobicContact CZ3-CD1 3.54Å; L144-L228 HydrophobicContact CD2-CB 4.21Å; S224-L228 WeakPolarHBondContact O-CG 3.26Å; A225-L228 WeakPolarHBondContact O-CB 3.44Å; A225-L228 PolarHBondContact O-N 3.43Å; A225-L228 VanDerWaalsContact O-N 3.1Å; D226-L228 PolarHBondContact O-N 3.41Å; L228-M230 VanDerWaalsContact C-N 3.3Å; L228-M230 HydrophobicContact CB-CG 4Å; L228-M230 HydrophobicContact CB-SD 4.43Å; L228-M230 HydrophobicContact CD1-SD 4.5Å; L228-M230 PolarHBondContact O-N 2.86Å; L228-V339 HydrophobicContact CD1-CG1 4.4Å; L228-V339 HydrophobicContact CD1-CG2 4.09Å; L228-V339 HydrophobicContact CD2-CG1 4.29Å; L228-V339 HydrophobicContact CD2-CG2 4.36Å; L228-V339 HydrophobicContact CG-CG1 4.35Å
229	N	73.8	Confident	79.9	Confident	83 Å²	83	52.7 Å²	52.7	44%	0.444	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	43.3	-177	-155.6	48.7	0	0	0	112.5	K127 D226	K127-N229 HydrophobicContact CD-CB 4.16Å; K127-N229 PolarHBondContact NZ-OD1 2.97Å; D226-N229 PolarHBondContact O-N 3.26Å
230	M	72.7	Confident	80.5	Confident	21 Å²	21	49.9 Å²	49.9	10%	0.103	30%	0.298	C	S	.	.			trans	-72.3	132.7	178.1	-63.7	176.7	71.4	0	0	109.9	W141 L143 A225 L228 Q234 L238	W141-M230 HydrophobicContact CH2-CE 3.95Å; W141-M230 HydrophobicContact CH2-SD 3.92Å; W141-M230 HydrophobicContact CZ3-CE 4.44Å; W141-M230 HydrophobicContact CZ3-SD 4.17Å; L143-M230 HydrophobicContact CB-CE 3.87Å; L143-M230 HydrophobicContact CD1-CE 3.91Å; L143-M230 HydrophobicContact CG-CE 4.38Å; A225-M230 HydrophobicContact CB-SD 3.93Å; L228-M230 VanDerWaalsContact C-N 3.3Å; L228-M230 HydrophobicContact CB-CG 4Å; L228-M230 HydrophobicContact CB-SD 4.43Å; L228-M230 HydrophobicContact CD1-SD 4.5Å; L228-M230 PolarHBondContact O-N 2.86Å; M230-Q234 VanDerWaalsContact CA-OE1 3.3Å; M230-Q234 HydrophobicContact CB-CB 4.17Å; M230-Q234 HydrophobicContact CE-CB 3.95Å; M230-L238 HydrophobicContact CE-CD1 3.77Å; M230-L238 HydrophobicContact CE-CD2 4.4Å; M230-L238 HydrophobicContact CE-CG 4.09Å; M230-L238 HydrophobicContact SD-CD1 4Å
231	G	70.5	Confident	81	Confident	34 Å²	34	47.4 Å²	47.4	35%	0.351	28%	0.283	S	S	.	.			trans	-68.4	158.9	172.3	0	0	0	0	0	111.7	S233 Q234 F235	G231-S233 PolarHBondContact O-N 2.96Å; G231-S233 VanDerWaalsContact O-N 3.11Å; G231-Q234 WeakPolarHBondContact O-CA 3.49Å; G231-Q234 WeakPolarHBondContact O-CB 3.34Å; G231-Q234 PolarHBondContact O-N 3.32Å; G231-F235 PolarHBondContact O-N 3.26Å
232	G	75.3	Confident	81.4	Confident	65 Å²	65	47.8 Å²	47.8	67%	0.67	28%	0.284	S	S	*	.	H	α-helix	trans	-55	-33.4	-178.2	0	0	0	0	0	114.7	F235 S236	G232-F235 WeakPolarHBondContact O-CB 3.3Å; G232-F235 PolarHBondContact O-N 3.12Å; G232-S236 PolarHBondContact O-N 3.47Å
233	S	75.8	Confident	81.8	Confident	92 Å²	92	49 Å²	49	64%	0.643	29%	0.293	S	S	*	.	H	α-helix	trans	-74.5	-24.7	175.5	59.2	0	0	0	0	114.4	G231 S236	G231-S233 PolarHBondContact O-N 2.96Å; G231-S233 VanDerWaalsContact O-N 3.11Å; S233-S236 PolarHBondContact O-OG 3.46Å; S233-S236 VanDerWaalsContact O-OG 3.12Å
234	Q	78.1	Confident	82.4	Confident	26 Å²	26	44.9 Å²	44.9	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-79	-37.5	171.2	-66.8	168.7	-21.7	0	0	109.8	L143 S146 M230 G231 S236 K237	L143-Q234 VanDerWaalsContact O-CD 3.25Å; L143-Q234 PolarHBondContact O-NE2 2.8Å; S146-Q234 PolarHBondContact OG-NE2 2.82Å; M230-Q234 VanDerWaalsContact CA-OE1 3.3Å; M230-Q234 HydrophobicContact CB-CB 4.17Å; M230-Q234 HydrophobicContact CE-CB 3.95Å; G231-Q234 WeakPolarHBondContact O-CA 3.49Å; G231-Q234 WeakPolarHBondContact O-CB 3.34Å; G231-Q234 PolarHBondContact O-N 3.32Å; Q234-S236 PolarHBondContact O-N 3.36Å; Q234-K237 WeakPolarHBondContact O-CB 3.45Å; Q234-K237 PolarHBondContact O-N 3Å; Q234-K237 VanDerWaalsContact O-N 3.14Å
235	F	79.1	Confident	82.7	Confident	53 Å²	53	44.8 Å²	44.8	23%	0.232	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-45.6	178.2	-166.6	-81.8	0	0	0	112	Y222 A225 G231 G232 K237 L238 F242	Y222-F235 AromaticContact CD1-CE1 3.95Å; Y222-F235 HydrophobicContact CD1-CE1 3.95Å; Y222-F235 AromaticContact CD1-CE2 3.97Å; Y222-F235 HydrophobicContact CD1-CE2 3.97Å; Y222-F235 AromaticContact CD1-CZ 3.17Å; Y222-F235 HydrophobicContact CD1-CZ 3.17Å; Y222-F235 AromaticContact CE1-CE1 3.54Å; Y222-F235 HydrophobicContact CE1-CE1 3.54Å; Y222-F235 HydrophobicContact CE1-CE2 4.39Å; Y222-F235 AromaticContact CE1-CZ 3.23Å; Y222-F235 HydrophobicContact CE1-CZ 3.23Å; Y222-F235 HydrophobicContact CG-CZ 4.33Å; A225-F235 HydrophobicContact CB-CD2 4.14Å; A225-F235 HydrophobicContact CB-CE2 3.68Å; G231-F235 PolarHBondContact O-N 3.26Å; G232-F235 WeakPolarHBondContact O-CB 3.3Å; G232-F235 PolarHBondContact O-N 3.12Å; F235-K237 PolarHBondContact O-N 2.76Å; F235-K237 VanDerWaalsContact O-N 3.14Å; F235-L238 HydrophobicContact CE2-CD1 4.49Å; F235-L238 VanDerWaalsContact O-CB 3.3Å; F235-L238 WeakPolarHBondContact O-CB 3.37Å; F235-L238 PolarHBondContact O-N 3.17Å; F235-F242 HydrophobicContact CE1-CE2 4.21Å; F235-F242 AromaticContact CZ-CE2 3.81Å; F235-F242 HydrophobicContact CZ-CE2 3.81Å; F235-F242 HydrophobicContact CZ-CZ 4.01Å
236	S	83	Confident	82.8	Confident	63 Å²	63	47.1 Å²	47.1	44%	0.441	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-62.1	-21.5	177.7	61.9	0	0	0	0	114	G232 S233 Q234 L238 D239	G232-S236 PolarHBondContact O-N 3.47Å; S233-S236 PolarHBondContact O-OG 3.46Å; S233-S236 VanDerWaalsContact O-OG 3.12Å; Q234-S236 PolarHBondContact O-N 3.36Å; S236-L238 PolarHBondContact O-N 3.41Å; S236-D239 VanDerWaalsContact O-CG 3.28Å; S236-D239 PolarHBondContact O-N 3.02Å
237	K	84.5	Confident	83.3	Confident	139 Å²	139	46.3 Å²	46.3	60%	0.604	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-72.9	-8.7	174.7	-64.6	179.1	175.8	-173.9	0	112.9	L143 Q234 F235	L143-K237 HydrophobicContact CD1-CB 4.5Å; L143-K237 HydrophobicContact CD2-CB 3.74Å; L143-K237 HydrophobicContact CD2-CD 3.41Å; L143-K237 VanDerWaalsContact CD2-CD 3.41Å; L143-K237 HydrophobicContact CD2-CG 4.19Å; Q234-K237 WeakPolarHBondContact O-CB 3.45Å; Q234-K237 PolarHBondContact O-N 3Å; Q234-K237 VanDerWaalsContact O-N 3.14Å; F235-K237 PolarHBondContact O-N 2.76Å; F235-K237 VanDerWaalsContact O-N 3.14Å
238	L	89.1	Confident	83.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-88	-5.5	175.3	-61.6	175.7	0	0	0	113.3	W141 L143 A225 M230 F235 S236 G240 A241 F242 N332 L336	W141-L238 HydrophobicContact CH2-CD2 4.34Å; W141-L238 HydrophobicContact CZ2-CD2 3.99Å; L143-L238 HydrophobicContact CD1-CD2 3.59Å; L143-L238 HydrophobicContact CD1-CG 4.29Å; A225-L238 HydrophobicContact CB-CD1 3.56Å; M230-L238 HydrophobicContact CE-CD1 3.77Å; M230-L238 HydrophobicContact CE-CD2 4.4Å; M230-L238 HydrophobicContact CE-CG 4.09Å; M230-L238 HydrophobicContact SD-CD1 4Å; F235-L238 HydrophobicContact CE2-CD1 4.49Å; F235-L238 VanDerWaalsContact O-CB 3.3Å; F235-L238 WeakPolarHBondContact O-CB 3.37Å; F235-L238 PolarHBondContact O-N 3.17Å; S236-L238 PolarHBondContact O-N 3.41Å; L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 3.28Å; L238-A241 WeakPolarHBondContact O-CA 3.38Å; L238-A241 VanDerWaalsContact O-CB 3.28Å; L238-A241 WeakPolarHBondContact O-CB 3.26Å; L238-A241 PolarHBondContact O-N 3.11Å; L238-F242 HydrophobicContact CB-CD2 4.05Å; L238-F242 HydrophobicContact CB-CE2 3.73Å; L238-F242 HydrophobicContact CD1-CE2 4.44Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.21Å; L238-F242 PolarHBondContact O-N 3.41Å; L238-F242 VanDerWaalsContact O-N 3.07Å; L238-N332 HydrophobicContact CD2-CB 3.96Å; L238-L336 HydrophobicContact CD1-CD1 4.21Å; L238-L336 HydrophobicContact CD1-CD2 4.21Å; L238-L336 HydrophobicContact CD2-CD1 4.17Å
239	D	89.7	Confident	83.7	Confident	81 Å²	81	45.5 Å²	45.5	43%	0.433	26%	0.263	S	S	.	.	H	α-helix	trans	-54.6	-42.5	-176.8	-73.5	-13.5	0	0	0	112.3	S236 A241 F242 Q243	S236-D239 VanDerWaalsContact O-CG 3.28Å; S236-D239 PolarHBondContact O-N 3.02Å; D239-A241 VanDerWaalsContact C-N 3.29Å; D239-A241 PolarHBondContact O-N 3.11Å; D239-F242 PolarHBondContact O-N 2.84Å; D239-Q243 WeakPolarHBondContact O-CG 3.1Å; D239-Q243 PolarHBondContact O-N 3.33Å
240	G	91	Very high	83.9	Confident	22 Å²	22	46.9 Å²	46.9	23%	0.227	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-36.3	174.8	0	0	0	0	0	113.1	L238 L244 A329	L238-G240 VanDerWaalsContact C-N 3.27Å; L238-G240 PolarHBondContact O-N 3.28Å; G240-L244 VanDerWaalsContact O-CB 3.29Å; G240-L244 WeakPolarHBondContact O-CB 3.47Å; G240-L244 PolarHBondContact O-N 2.74Å; G240-A329 VanDerWaalsContact C-CB 3.47Å; G240-A329 WeakPolarHBondContact O-CB 3.49Å
241	A	91.5	Very high	84.1	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-68.4	-41.1	177	0	0	0	0	0	111.7	L238 D239 L244 F245 A329 N332 L333	L238-A241 WeakPolarHBondContact O-CA 3.38Å; L238-A241 VanDerWaalsContact O-CB 3.28Å; L238-A241 WeakPolarHBondContact O-CB 3.26Å; L238-A241 PolarHBondContact O-N 3.11Å; D239-A241 VanDerWaalsContact C-N 3.29Å; D239-A241 PolarHBondContact O-N 3.11Å; A241-L244 PolarHBondContact O-N 3.36Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 PolarHBondContact O-N 2.97Å; A241-A329 WeakPolarHBondContact CB-O 3.47Å; A241-N332 HydrophobicContact CB-CB 3.92Å; A241-L333 HydrophobicContact CB-CB 4.2Å
242	F	90.2	Very high	84.1	Confident	7 Å²	7	46.8 Å²	46.8	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-39.3	175.6	-71	-70.5	0	0	0	112.5	L221 Y222 F235 L238 D239 F245 D246	L221-F242 HydrophobicContact CB-CD1 4.49Å; L221-F242 HydrophobicContact CB-CE1 3.67Å; L221-F242 HydrophobicContact CB-CZ 4.4Å; L221-F242 HydrophobicContact CD1-CE1 4.49Å; Y222-F242 HydrophobicContact CD1-CE1 4.44Å; Y222-F242 AromaticContact CD1-CZ 3.94Å; Y222-F242 HydrophobicContact CD1-CZ 3.94Å; Y222-F242 AromaticContact CD2-CE1 3.78Å; Y222-F242 HydrophobicContact CD2-CE1 3.78Å; Y222-F242 HydrophobicContact CD2-CZ 4.11Å; Y222-F242 HydrophobicContact CE1-CE1 4.35Å; Y222-F242 HydrophobicContact CE1-CE2 4.11Å; Y222-F242 AromaticContact CE1-CZ 3.89Å; Y222-F242 HydrophobicContact CE1-CZ 3.89Å; Y222-F242 HydrophobicContact CE2-CD1 4.02Å; Y222-F242 AromaticContact CE2-CE1 3.65Å; Y222-F242 HydrophobicContact CE2-CE1 3.65Å; Y222-F242 HydrophobicContact CE2-CZ 4.03Å; Y222-F242 HydrophobicContact CG-CE1 4.11Å; Y222-F242 AromaticContact CG-CZ 3.99Å; Y222-F242 HydrophobicContact CG-CZ 3.99Å; Y222-F242 AromaticContact CZ-CE1 3.91Å; Y222-F242 AromaticContact CZ-CZ 3.88Å; F235-F242 HydrophobicContact CE1-CE2 4.21Å; F235-F242 AromaticContact CZ-CE2 3.81Å; F235-F242 HydrophobicContact CZ-CE2 3.81Å; F235-F242 HydrophobicContact CZ-CZ 4.01Å; L238-F242 HydrophobicContact CB-CD2 4.05Å; L238-F242 HydrophobicContact CB-CE2 3.73Å; L238-F242 HydrophobicContact CD1-CE2 4.44Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.21Å; L238-F242 PolarHBondContact O-N 3.41Å; L238-F242 VanDerWaalsContact O-N 3.07Å; D239-F242 PolarHBondContact O-N 2.84Å; F242-F245 WeakPolarHBondContact O-CB 3.2Å; F242-F245 PolarHBondContact O-N 3.03Å; F242-D246 PolarHBondContact O-N 3.47Å; F242-D246 VanDerWaalsContact O-N 3.09Å
243	Q	91	Very high	83.9	Confident	119 Å²	119	48.5 Å²	48.5	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-66.2	-40.3	174	-69.9	175.4	16.3	0	0	111.8	D239 F245 D246 R247	D239-Q243 WeakPolarHBondContact O-CG 3.1Å; D239-Q243 PolarHBondContact O-N 3.33Å; Q243-F245 VanDerWaalsContact C-N 3.33Å; Q243-D246 PolarHBondContact O-N 2.82Å; Q243-R247 WeakPolarHBondContact O-CG 3.24Å; Q243-R247 PolarHBondContact O-N 3.45Å; Q243-R247 VanDerWaalsContact O-N 3.12Å
244	L	91.4	Very high	83.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-40.3	173.9	177.1	57.9	0	0	0	111.7	G240 A241 D246 R247 L248 F316 Q320 A329 L330 L333	G240-L244 VanDerWaalsContact O-CB 3.29Å; G240-L244 WeakPolarHBondContact O-CB 3.47Å; G240-L244 PolarHBondContact O-N 2.74Å; A241-L244 PolarHBondContact O-N 3.36Å; L244-D246 VanDerWaalsContact C-N 3.34Å; L244-D246 PolarHBondContact O-N 3.08Å; L244-R247 PolarHBondContact O-N 3.12Å; L244-L248 HydrophobicContact CD1-CD1 4.49Å; L244-L248 HydrophobicContact CD1-CG 4.33Å; L244-L248 HydrophobicContact CG-CD1 4.22Å; L244-L248 WeakPolarHBondContact O-CG 3.25Å; L244-L248 PolarHBondContact O-N 2.79Å; L244-F316 HydrophobicContact CD1-CE1 4.2Å; L244-F316 HydrophobicContact CD1-CZ 4.42Å; L244-Q320 HydrophobicContact CD1-CG 3.8Å; L244-A329 HydrophobicContact CB-CB 4.38Å; L244-A329 HydrophobicContact CD2-CB 4.14Å; L244-L330 VanDerWaalsContact CD2-CA 3.5Å; L244-L330 HydrophobicContact CD2-CB 3.79Å; L244-L330 HydrophobicContact CD2-CD1 3.92Å; L244-L330 HydrophobicContact CD2-CG 4.49Å; L244-L333 HydrophobicContact CD2-CD2 4.42Å; L244-L333 HydrophobicContact CG-CD2 4.27Å
245	F	89.7	Confident	82.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-46.9	173.9	174.6	-92.4	0	0	0	111.7	L201 V214 M217 K218 L221 A241 F242 Q243 R247 L248 V249 L333	L201-F245 HydrophobicContact CB-CE2 4.31Å; L201-F245 HydrophobicContact CD1-CD2 4.45Å; L201-F245 HydrophobicContact CD1-CE2 3.77Å; L201-F245 HydrophobicContact CD1-CZ 4.25Å; L201-F245 HydrophobicContact CD2-CD2 4.27Å; L201-F245 HydrophobicContact CD2-CE2 4.14Å; L201-F245 HydrophobicContact CG-CE2 4.3Å; V214-F245 HydrophobicContact CG1-CE1 4.23Å; M217-F245 HydrophobicContact CB-CE1 4.3Å; M217-F245 HydrophobicContact CB-CE2 4.42Å; M217-F245 HydrophobicContact CB-CZ 3.6Å; M217-F245 HydrophobicContact CG-CE1 4.33Å; M217-F245 HydrophobicContact CG-CE2 3.6Å; M217-F245 HydrophobicContact CG-CZ 3.27Å; K218-F245 HydrophobicContact CD-CD1 4.36Å; K218-F245 HydrophobicContact CD-CE1 4.4Å; K218-F245 HydrophobicContact CG-CD1 3.76Å; K218-F245 HydrophobicContact CG-CE1 3.58Å; L221-F245 HydrophobicContact CD1-CB 4.33Å; L221-F245 HydrophobicContact CD1-CD1 4.35Å; L221-F245 HydrophobicContact CD1-CD2 3.6Å; L221-F245 HydrophobicContact CD1-CE2 3.98Å; L221-F245 HydrophobicContact CD1-CG 3.82Å; A241-F245 WeakPolarHBondContact O-CB 3.47Å; A241-F245 PolarHBondContact O-N 2.97Å; F242-F245 WeakPolarHBondContact O-CB 3.2Å; F242-F245 PolarHBondContact O-N 3.03Å; Q243-F245 VanDerWaalsContact C-N 3.33Å; F245-R247 VanDerWaalsContact C-N 3.32Å; F245-R247 PolarHBondContact O-N 2.94Å; F245-L248 PolarHBondContact O-N 3.28Å; F245-V249 HydrophobicContact CD1-CG2 4.13Å; F245-V249 HydrophobicContact CD2-CG2 4.45Å; F245-V249 HydrophobicContact CE1-CG2 3.57Å; F245-V249 HydrophobicContact CE2-CG2 3.95Å; F245-V249 HydrophobicContact CZ-CG2 3.44Å; F245-V249 VanDerWaalsContact CZ-CG2 3.44Å; F245-V249 WeakPolarHBondContact O-CG2 3.38Å; F245-V249 PolarHBondContact O-N 2.69Å; F245-L333 HydrophobicContact CB-CD1 4.03Å; F245-L333 HydrophobicContact CB-CD2 4.2Å; F245-L333 HydrophobicContact CD2-CD1 4.11Å
246	D	87.1	Confident	82	Confident	49 Å²	49	56.8 Å²	56.8	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-42.8	176.6	-68.4	-29.8	0	0	0	111.8	K218 F242 Q243 L244 V249 N250	K218-D246 WeakPolarHBondContact CD-OD1 3.08Å; K218-D246 VanDerWaalsContact CE-OD1 3.31Å; K218-D246 WeakPolarHBondContact CE-OD1 3.27Å; K218-D246 IonicContact NZ-OD1 3.42Å; K218-D246 PolarHBondContact NZ-OD1 3.21Å; K218-D246 IonicContact NZ-OD2 3.92Å; K218-D246 PolarHBondContact NZ-OD2 2.8Å; F242-D246 PolarHBondContact O-N 3.47Å; F242-D246 VanDerWaalsContact O-N 3.09Å; Q243-D246 PolarHBondContact O-N 2.82Å; L244-D246 VanDerWaalsContact C-N 3.34Å; L244-D246 PolarHBondContact O-N 3.08Å; D246-V249 PolarHBondContact O-N 2.84Å; D246-N250 WeakPolarHBondContact O-CB 3.46Å; D246-N250 VanDerWaalsContact O-CG 3.26Å; D246-N250 PolarHBondContact O-N 3.29Å; D246-N250 PolarHBondContact O-ND2 3.23Å
247	R	87.7	Confident	80.9	Confident	97 Å²	97	54.8 Å²	54.8	37%	0.366	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-42.6	176.2	-68.2	-173.6	-73	168.7	-2.6	112	Q243 L244 F245 N250 A251 F316 N326	Q243-R247 WeakPolarHBondContact O-CG 3.24Å; Q243-R247 PolarHBondContact O-N 3.45Å; Q243-R247 VanDerWaalsContact O-N 3.12Å; L244-R247 PolarHBondContact O-N 3.12Å; F245-R247 VanDerWaalsContact C-N 3.32Å; F245-R247 PolarHBondContact O-N 2.94Å; R247-N250 PolarHBondContact O-N 3.08Å; R247-A251 WeakPolarHBondContact O-CB 3.33Å; R247-A251 PolarHBondContact O-N 3.33Å; R247-F316 HydrophobicContact CB-CE2 4.48Å; R247-F316 HydrophobicContact CB-CZ 3.82Å; R247-N326 PolarHBondContact NH2-OD1 2.77Å
248	L	85.5	Confident	79.6	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-48.4	176.3	-77.3	168.7	0	0	0	111.2	L244 F245 N250 A251 F252 F316 H317 L333	L244-L248 HydrophobicContact CD1-CD1 4.49Å; L244-L248 HydrophobicContact CD1-CG 4.33Å; L244-L248 HydrophobicContact CG-CD1 4.22Å; L244-L248 WeakPolarHBondContact O-CG 3.25Å; L244-L248 PolarHBondContact O-N 2.79Å; F245-L248 PolarHBondContact O-N 3.28Å; L248-N250 VanDerWaalsContact C-N 3.33Å; L248-N250 PolarHBondContact O-N 2.94Å; L248-A251 CarbonylContact O-C 3.44Å; L248-A251 WeakPolarHBondContact O-CB 3.21Å; L248-A251 PolarHBondContact O-N 3.25Å; L248-A251 VanDerWaalsContact O-N 3.15Å; L248-F252 VanDerWaalsContact O-CD2 3.22Å; L248-F252 WeakPolarHBondContact O-CD2 3.32Å; L248-F252 PolarHBondContact O-N 3.49Å; L248-F316 HydrophobicContact CD2-CD1 3.63Å; L248-F316 HydrophobicContact CD2-CE1 3.36Å; L248-F316 HydrophobicContact CD2-CZ 4.45Å; L248-F316 HydrophobicContact CG-CE1 3.85Å; L248-H317 WeakPolarHBondContact CD2-CE1 3.45Å; L248-L333 HydrophobicContact CD1-CD2 3.53Å
249	V	80.8	Confident	78	Confident	1 Å²	1	56 Å²	56	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-58.1	-45.1	177.8	169.1	0	0	0	0	111.5	L201 M208 V214 F245 D246 A251 F252 L253	L201-V249 HydrophobicContact CD1-CG2 3.43Å; L201-V249 VanDerWaalsContact CD1-CG2 3.43Å; M208-V249 HydrophobicContact CE-CG1 4.14Å; M208-V249 HydrophobicContact CE-CG2 4.32Å; V214-V249 HydrophobicContact CB-CG1 4.36Å; V214-V249 HydrophobicContact CG1-CG1 3.93Å; V214-V249 HydrophobicContact CG1-CG2 4.45Å; V214-V249 HydrophobicContact CG2-CG1 3.52Å; F245-V249 HydrophobicContact CD1-CG2 4.13Å; F245-V249 HydrophobicContact CD2-CG2 4.45Å; F245-V249 HydrophobicContact CE1-CG2 3.57Å; F245-V249 HydrophobicContact CE2-CG2 3.95Å; F245-V249 HydrophobicContact CZ-CG2 3.44Å; F245-V249 VanDerWaalsContact CZ-CG2 3.44Å; F245-V249 WeakPolarHBondContact O-CG2 3.38Å; F245-V249 PolarHBondContact O-N 2.69Å; D246-V249 PolarHBondContact O-N 2.84Å; V249-A251 VanDerWaalsContact C-N 3.31Å; V249-A251 PolarHBondContact O-N 3.06Å; V249-F252 WeakPolarHBondContact O-CA 3.43Å; V249-F252 WeakPolarHBondContact O-CB 3.32Å; V249-F252 PolarHBondContact O-N 3.03Å; V249-F252 VanDerWaalsContact O-N 3.08Å; V249-L253 HydrophobicContact CG1-CD1 3.72Å; V249-L253 HydrophobicContact CG1-CG 4.27Å; V249-L253 WeakPolarHBondContact O-CG 3.14Å; V249-L253 PolarHBondContact O-N 2.98Å
250	N	79	Confident	76.4	Confident	111 Å²	111	58 Å²	58	59%	0.594	32%	0.322	S	S	*	.	H	α-helix	trans	-62.6	-39.6	177.3	-71.7	-25	0	0	0	111.7	D246 R247 L248 F252 L253 D254	D246-N250 WeakPolarHBondContact O-CB 3.46Å; D246-N250 VanDerWaalsContact O-CG 3.26Å; D246-N250 PolarHBondContact O-N 3.29Å; D246-N250 PolarHBondContact O-ND2 3.23Å; R247-N250 PolarHBondContact O-N 3.08Å; L248-N250 VanDerWaalsContact C-N 3.33Å; L248-N250 PolarHBondContact O-N 2.94Å; N250-F252 VanDerWaalsContact C-N 3.3Å; N250-F252 PolarHBondContact O-N 3.29Å; N250-L253 PolarHBondContact O-N 2.78Å; N250-D254 PolarHBondContact O-N 3.33Å
251	A	75.5	Confident	74.8	Confident	16 Å²	16	65 Å²	65	13%	0.132	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-29.9	173.4	0	0	0	0	0	112.9	R247 L248 V249	R247-A251 WeakPolarHBondContact O-CB 3.33Å; R247-A251 PolarHBondContact O-N 3.33Å; L248-A251 CarbonylContact O-C 3.44Å; L248-A251 WeakPolarHBondContact O-CB 3.21Å; L248-A251 PolarHBondContact O-N 3.25Å; L248-A251 VanDerWaalsContact O-N 3.15Å; V249-A251 VanDerWaalsContact C-N 3.31Å; V249-A251 PolarHBondContact O-N 3.06Å
252	F	71.6	Confident	73.7	Confident	38 Å²	38	71.8 Å²	71.8	17%	0.167	38%	0.375	C	S	.	.	H	α-helix	trans	-73.4	-35.6	175.3	-95.2	-75.2	0	0	0	113.3	P181 G199 L201 L248 V249 N250 R313	P181-F252 VanDerWaalsContact O-CE2 3.28Å; P181-F252 WeakPolarHBondContact O-CE2 3.32Å; P181-F252 WeakPolarHBondContact O-CZ 3.3Å; G199-F252 WeakPolarHBondContact O-CE1 3.33Å; L201-F252 HydrophobicContact CD1-CD2 4.15Å; L201-F252 HydrophobicContact CD1-CE2 4.4Å; L201-F252 HydrophobicContact CD2-CE2 4.45Å; L201-F252 HydrophobicContact CG-CD2 4.41Å; L201-F252 HydrophobicContact CG-CE2 4.16Å; L248-F252 VanDerWaalsContact O-CD2 3.22Å; L248-F252 WeakPolarHBondContact O-CD2 3.32Å; L248-F252 PolarHBondContact O-N 3.49Å; V249-F252 WeakPolarHBondContact O-CA 3.43Å; V249-F252 WeakPolarHBondContact O-CB 3.32Å; V249-F252 PolarHBondContact O-N 3.03Å; V249-F252 VanDerWaalsContact O-N 3.08Å; N250-F252 VanDerWaalsContact C-N 3.3Å; N250-F252 PolarHBondContact O-N 3.29Å; F252-R313 VanDerWaalsContact CD1-NH2 3.28Å; F252-R313 VanDerWaalsContact CE1-NH1 3.26Å
253	L	71.5	Confident	73.2	Confident	101 Å²	101	74.9 Å²	74.9	53%	0.529	40%	0.395	S	S	.	.	H	α-helix	trans	-93	-2.7	-175	-66.3	177.9	0	0	0	113.9	V214 V249 N250 P255	V214-L253 HydrophobicContact CG2-CD1 4.22Å; V249-L253 HydrophobicContact CG1-CD1 3.72Å; V249-L253 HydrophobicContact CG1-CG 4.27Å; V249-L253 WeakPolarHBondContact O-CG 3.14Å; V249-L253 PolarHBondContact O-N 2.98Å; N250-L253 PolarHBondContact O-N 2.78Å; L253-P255 VanDerWaalsContact O-CD 3.26Å; L253-P255 WeakPolarHBondContact O-CD 3.12Å; L253-P255 VanDerWaalsContact O-N 3.14Å
254	D	68.4	Low	72.8	Confident	54 Å²	54	72.7 Å²	72.7	29%	0.289	39%	0.387	S	S	.	.			trans	-56.7	117	178.6	-176.3	-10.7	0	0	0	110.4	N250 Q256 T257	N250-D254 PolarHBondContact O-N 3.33Å; D254-Q256 PolarHBondContact O-N 3.24Å; D254-Q256 VanDerWaalsContact O-N 3.11Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.2Å; D254-Q256 PolarHBondContact OD1-N 3.29Å; D254-T257 HydrophobicContact CB-CG2 3.99Å; D254-T257 WeakPolarHBondContact O-CB 3.39Å; D254-T257 PolarHBondContact O-N 3.31Å; D254-T257 PolarHBondContact O-OG1 3.44Å
255	P	62.2	Low	72.7	Confident	109 Å²	109	76.7 Å²	76.7	71%	0.708	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-56.6	-27.2	178.6	-23.9	33.7	0	0	0	113.7	L253 T257 S258	L253-P255 VanDerWaalsContact O-CD 3.26Å; L253-P255 WeakPolarHBondContact O-CD 3.12Å; L253-P255 VanDerWaalsContact O-N 3.14Å; P255-T257 PolarHBondContact O-N 3.03Å; P255-S258 PolarHBondContact O-N 3.11Å
256	Q	61.7	Low	72.8	Confident	182 Å²	182	80.7 Å²	80.7	85%	0.85	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-67.8	-14.5	175.7	-60.6	-153.3	11.8	0	0	113	D254	D254-Q256 PolarHBondContact O-N 3.24Å; D254-Q256 VanDerWaalsContact O-N 3.11Å; D254-Q256 WeakPolarHBondContact OD1-CB 3.2Å; D254-Q256 PolarHBondContact OD1-N 3.29Å
257	T	60.2	Low	73.2	Confident	21 Å²	21	79.1 Å²	79.1	13%	0.129	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-96.2	-1.8	177.2	68.8	0	0	0	0	113.8	D254 P255 L309 Y312	D254-T257 HydrophobicContact CB-CG2 3.99Å; D254-T257 WeakPolarHBondContact O-CB 3.39Å; D254-T257 PolarHBondContact O-N 3.31Å; D254-T257 PolarHBondContact O-OG1 3.44Å; P255-T257 PolarHBondContact O-N 3.03Å; T257-L309 HydrophobicContact CG2-CD1 3.76Å; T257-L309 WeakPolarHBondContact O-CD2 3.13Å; T257-Y312 HydrophobicContact CG2-CE1 4.33Å
258	S	56.5	Low	73.5	Confident	93 Å²	93	76.6 Å²	76.6	65%	0.65	42%	0.423	S	S	*	.			trans	-96.7	108	-178.5	-169.5	0	0	0	0	111	P255	P255-S258 PolarHBondContact O-N 3.11Å
259	T	56.5	Low	74	Confident	72 Å²	72	78.3 Å²	78.3	44%	0.442	43%	0.432	S	S	.	.			trans	-95.7	138.1	167.5	76.9	0	0	0	0	110.3	F261 E306	T259-F261 PolarHBondContact O-N 3.4Å; T259-F261 PolarHBondContact OG1-O 2.72Å; T259-E306 PolarHBondContact OG1-OE1 3.42Å
260	P	55.3	Low	74.7	Confident	122 Å²	122	84.1 Å²	84.1	79%	0.792	46%	0.459	S	S	*	.	S	Bend	trans	-67.4	-21.4	175.8	-9.9	19.5	0	0	0	113
261	F	57.7	Low	75.6	Confident	169 Å²	169	83.2 Å²	83.2	74%	0.741	45%	0.451	S	S	*	.	S	Bend	trans	-119.4	101.1	-174.5	-62.9	-77.7	0	0	0	110.2	T259 T263	T259-F261 PolarHBondContact O-N 3.4Å; T259-F261 PolarHBondContact OG1-O 2.72Å; F261-T263 PolarHBondContact O-N 2.92Å; F261-T263 VanDerWaalsContact O-N 3.14Å
262	K	68.3	Low	76.6	Confident	144 Å²	144	82.4 Å²	82.4	63%	0.626	45%	0.445	S	S	*	.			trans	-63.8	112.4	171.9	-69.5	171.8	165.8	-130.9	0	109.6	E305	K262-E305 HydrophobicContact CB-CG 4.33Å; K262-E305 WeakPolarHBondContact CD-OE1 3.23Å; K262-E305 WeakPolarHBondContact CE-OE1 3.32Å; K262-E305 WeakPolarHBondContact CG-OE1 3.43Å; K262-E305 IonicContact NZ-OE1 3.93Å; K262-E305 PolarHBondContact NZ-OE1 3.15Å
263	T	78.6	Confident	77.8	Confident	71 Å²	71	83.9 Å²	83.9	44%	0.436	45%	0.451	S	S	.	.			trans	-95.8	126.6	174.5	61.1	0	0	0	0	110.3	F261 E306	F261-T263 PolarHBondContact O-N 2.92Å; F261-T263 VanDerWaalsContact O-N 3.14Å; T263-E306 PolarHBondContact O-N 3.36Å
264	N	82.7	Confident	79.1	Confident	73 Å²	73	82.3 Å²	82.3	39%	0.39	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.1	168.5	-71.8	-24.5	0	0	0	109.6	K303	N264-K303 HydrophobicContact CB-CD 4.47Å
265	Q	89.9	Confident	80.4	Confident	84 Å²	84	80 Å²	80	39%	0.393	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.2	178.2	-65.4	-177.6	-7.2	0	0	110.2	K303 V304 K307	Q265-K303 CarbonylContact O-C 3.57Å; Q265-K303 WeakPolarHBondContact O-CA 3.43Å; Q265-V304 PolarHBondContact N-O 2.97Å; Q265-V304 PolarHBondContact O-N 3.23Å; Q265-K307 VanDerWaalsContact OE1-CB 3.27Å
266	S	92.6	Very high	82.1	Confident	85 Å²	85	74.9 Å²	74.9	59%	0.594	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.7	170.9	-60.2	0	0	0	0	110	I302	S266-I302 CarbonylContact C-O 3.58Å; S266-I302 VanDerWaalsContact CA-O 3.26Å; S266-I302 WeakPolarHBondContact CA-O 3.47Å
267	V	94.6	Very high	83.7	Confident	15 Å²	15	70.1 Å²	70.1	9%	0.091	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155	-179.9	-58.2	0	0	0	0	111.4	E271 L272 I275 I302 V304 K307	V267-E271 VanDerWaalsContact CA-OE2 3.23Å; V267-E271 WeakPolarHBondContact CA-OE2 3.19Å; V267-E271 HydrophobicContact CB-CB 4.07Å; V267-L272 HydrophobicContact CG2-CB 4.21Å; V267-I275 HydrophobicContact CG1-CD1 4.04Å; V267-I302 HydrophobicContact CG2-CB 4.06Å; V267-I302 HydrophobicContact CG2-CG2 3.74Å; V267-I302 PolarHBondContact N-O 3.37Å; V267-V304 HydrophobicContact CG1-CG2 4.24Å; V267-V304 HydrophobicContact CG2-CG2 3.61Å; V267-K307 HydrophobicContact CG1-CD 4.33Å
268	S	95	Very high	85.5	Confident	44 Å²	44	70.2 Å²	70.2	31%	0.308	39%	0.393	S	S	.	.			trans	-75.8	165.3	166.6	96.8	0	0	0	0	111.4	E270 E271 L272	S268-E270 VanDerWaalsContact C-N 3.27Å; S268-E270 WeakPolarHBondContact CB-OE2 3.45Å; S268-E270 PolarHBondContact O-N 2.83Å; S268-E270 PolarHBondContact OG-N 2.83Å; S268-E270 PolarHBondContact OG-OE2 3.29Å; S268-E271 PolarHBondContact N-OE2 3.15Å; S268-E271 PolarHBondContact O-N 2.88Å; S268-E271 PolarHBondContact OG-N 2.86Å; S268-E271 VanDerWaalsContact OG-N 3.1Å; S268-L272 WeakPolarHBondContact O-CB 3.37Å; S268-L272 PolarHBondContact O-N 2.93Å
269	I	94.7	Very high	87.4	Confident	40 Å²	40	66 Å²	66	21%	0.205	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-33.6	175.2	-174.2	61.5	0	0	0	111.6	L272 K273 W281 F285 I302	I269-L272 HydrophobicContact CD1-CD2 4.18Å; I269-L272 PolarHBondContact O-N 3.38Å; I269-K273 VanDerWaalsContact O-CG 3.29Å; I269-K273 WeakPolarHBondContact O-CG 3.28Å; I269-K273 PolarHBondContact O-N 3.22Å; I269-W281 HydrophobicContact CD1-CB 3.84Å; I269-F285 HydrophobicContact CD1-CD2 4.23Å; I269-F285 HydrophobicContact CD1-CE2 3.9Å; I269-I302 HydrophobicContact CB-CD1 4.15Å; I269-I302 HydrophobicContact CD1-CD1 3.97Å
270	E	96.7	Very high	89.3	Confident	122 Å²	122	66.5 Å²	66.5	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-67.8	-42.1	174.4	-60.3	72	-159.6	0	0	111.4	S268 L272 K273 A274	S268-E270 VanDerWaalsContact C-N 3.27Å; S268-E270 WeakPolarHBondContact CB-OE2 3.45Å; S268-E270 PolarHBondContact O-N 2.83Å; S268-E270 PolarHBondContact OG-N 2.83Å; S268-E270 PolarHBondContact OG-OE2 3.29Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-K273 PolarHBondContact O-N 3.37Å; E270-A274 PolarHBondContact O-N 3.35Å
271	E	96.7	Very high	91.3	Very high	92 Å²	92	60.7 Å²	60.7	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-39.8	173	-68.9	-178.9	138.7	0	0	111.3	V267 S268 A274 I275	V267-E271 VanDerWaalsContact CA-OE2 3.23Å; V267-E271 WeakPolarHBondContact CA-OE2 3.19Å; V267-E271 HydrophobicContact CB-CB 4.07Å; S268-E271 PolarHBondContact N-OE2 3.15Å; S268-E271 PolarHBondContact O-N 2.88Å; S268-E271 PolarHBondContact OG-N 2.86Å; S268-E271 VanDerWaalsContact OG-N 3.1Å; E271-A274 PolarHBondContact O-N 2.85Å; E271-I275 WeakPolarHBondContact O-CD1 3.24Å; E271-I275 WeakPolarHBondContact O-CG1 3.34Å; E271-I275 PolarHBondContact O-N 3.39Å
272	L	97.2	Very high	93	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-44	175.7	-174.7	66.4	0	0	0	112	I196 V267 S268 I269 E270 A274 I275 C276 W281 F285 I302 V304 F310	I196-L272 HydrophobicContact CG1-CD1 4.34Å; V267-L272 HydrophobicContact CG2-CB 4.21Å; S268-L272 WeakPolarHBondContact O-CB 3.37Å; S268-L272 PolarHBondContact O-N 2.93Å; I269-L272 HydrophobicContact CD1-CD2 4.18Å; I269-L272 PolarHBondContact O-N 3.38Å; E270-L272 VanDerWaalsContact C-N 3.33Å; L272-A274 VanDerWaalsContact C-N 3.29Å; L272-A274 PolarHBondContact O-N 3.29Å; L272-I275 PolarHBondContact O-N 3.08Å; L272-C276 PolarHBondContact O-N 2.87Å; L272-W281 HydrophobicContact CD1-CD2 4.45Å; L272-W281 HydrophobicContact CD1-CH2 4.21Å; L272-W281 HydrophobicContact CD1-CZ2 3.88Å; L272-W281 HydrophobicContact CD2-CB 4.34Å; L272-W281 HydrophobicContact CD2-CD2 3.37Å; L272-W281 HydrophobicContact CD2-CE3 3.48Å; L272-W281 VanDerWaalsContact CD2-CE3 3.48Å; L272-W281 HydrophobicContact CD2-CG 3.76Å; L272-W281 HydrophobicContact CD2-CH2 4.32Å; L272-W281 HydrophobicContact CD2-CZ2 4.24Å; L272-W281 HydrophobicContact CD2-CZ3 3.97Å; L272-W281 HydrophobicContact CG-CD2 3.67Å; L272-W281 HydrophobicContact CG-CE3 4.2Å; L272-W281 HydrophobicContact CG-CG 3.98Å; L272-W281 HydrophobicContact CG-CH2 4.44Å; L272-W281 HydrophobicContact CG-CZ2 3.95Å; L272-W281 PolarHBondContact O-NE1 2.99Å; L272-F285 HydrophobicContact CD2-CE2 4.21Å; L272-F285 HydrophobicContact CD2-CZ 3.87Å; L272-I302 HydrophobicContact CD2-CD1 4.23Å; L272-I302 HydrophobicContact CD2-CG2 4.09Å; L272-V304 HydrophobicContact CD1-CG2 3.8Å; L272-F310 HydrophobicContact CD1-CE1 4.15Å
273	K	97.7	Very high	94.3	Very high	68 Å²	68	52.9 Å²	52.9	30%	0.296	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-38.9	172.9	-72.7	167.2	179	173.3	0	111.9	I269 E270 C276 P277 W281 D282	I269-K273 VanDerWaalsContact O-CG 3.29Å; I269-K273 WeakPolarHBondContact O-CG 3.28Å; I269-K273 PolarHBondContact O-N 3.22Å; E270-K273 PolarHBondContact O-N 3.37Å; K273-C276 CarbonylContact O-C 3.33Å; K273-P277 VanDerWaalsContact O-CA 3.26Å; K273-P277 WeakPolarHBondContact O-CA 3.4Å; K273-P277 VanDerWaalsContact O-N 3.13Å; K273-W281 HydrophobicContact CG-CB 4.45Å; K273-D282 WeakPolarHBondContact CE-OD1 3.35Å; K273-D282 VanDerWaalsContact CE-OD2 3.27Å; K273-D282 WeakPolarHBondContact CE-OD2 3.36Å; K273-D282 IonicContact NZ-OD1 3.28Å; K273-D282 PolarHBondContact NZ-OD1 3.02Å; K273-D282 IonicContact NZ-OD2 3.07Å; K273-D282 PolarHBondContact NZ-OD2 3.08Å
274	A	97.1	Very high	95	Very high	68 Å²	68	49.6 Å²	49.6	56%	0.562	27%	0.273	S	S	*	.	H	α-helix	trans	-71.2	-34.2	176.1	0	0	0	0	0	113.2	E270 E271 L272	E270-A274 PolarHBondContact O-N 3.35Å; E271-A274 PolarHBondContact O-N 2.85Å; L272-A274 VanDerWaalsContact C-N 3.29Å; L272-A274 PolarHBondContact O-N 3.29Å
275	I	96.3	Very high	95.5	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-66.4	-40.9	177	-69.7	158.1	0	0	0	111	V267 E271 L272 K307 F310 Q311	V267-I275 HydrophobicContact CG1-CD1 4.04Å; E271-I275 WeakPolarHBondContact O-CD1 3.24Å; E271-I275 WeakPolarHBondContact O-CG1 3.34Å; E271-I275 PolarHBondContact O-N 3.39Å; L272-I275 PolarHBondContact O-N 3.08Å; I275-K307 HydrophobicContact CD1-CD 3.79Å; I275-K307 VanDerWaalsContact CD1-CE 3.44Å; I275-K307 HydrophobicContact CD1-CG 3.78Å; I275-K307 HydrophobicContact CG1-CD 4.31Å; I275-K307 HydrophobicContact CG1-CG 4.12Å; I275-F310 HydrophobicContact CG2-CD1 3.48Å; I275-F310 VanDerWaalsContact CG2-CD1 3.48Å; I275-F310 HydrophobicContact CG2-CE1 3.87Å; I275-F310 HydrophobicContact CG2-CG 4.43Å; I275-Q311 HydrophobicContact CG2-CB 4.05Å
276	C	97.4	Very high	95.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.253	C	S	.	.			trans	-138.4	81.2	179.4	-170	0	0	0	0	111.7	L272 K273 P278 I279 W281 F310 C314	L272-C276 PolarHBondContact O-N 2.87Å; K273-C276 CarbonylContact O-C 3.33Å; C276-P278 VanDerWaalsContact C-CD 3.43Å; C276-I279 PolarHBondContact O-N 2.92Å; C276-I279 VanDerWaalsContact SG-CG1 3.56Å; C276-W281 HydrophobicContact CB-CZ2 4.03Å; C276-W281 PolarHBondContact O-NE1 2.92Å; C276-F310 HydrophobicContact CB-CE1 3.95Å; C276-F310 HydrophobicContact CB-CZ 3.88Å; C276-C314 WeakPolarHBondContact CA-SG 3.45Å; C276-C314 HydrophobicContact CB-CB 3.7Å; C276-C314 WeakPolarHBondContact CB-SG 3.44Å; C276-C314 WeakPolarHBondContact SG-CB 3.33Å; C276-C314 CovalentContact SG-SG 2.03Å; C276-C314 PolarHBondContact SG-SG 2.93Å
277	P	97	Very high	95.2	Very high	82 Å²	82	45.4 Å²	45.4	53%	0.532	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.3	-178.3	-24.3	35.1	0	0	0	117.2	K273 I279	K273-P277 VanDerWaalsContact O-CA 3.26Å; K273-P277 WeakPolarHBondContact O-CA 3.4Å; K273-P277 VanDerWaalsContact O-N 3.13Å; P277-I279 PolarHBondContact O-N 2.91Å
278	P	96.1	Very high	94.7	Very high	24 Å²	24	45.8 Å²	45.8	16%	0.156	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.8	-178.4	28.5	-37.5	0	0	0	113.9	L166 C276 C314 Q318 L321	L166-P278 HydrophobicContact CB-CB 4.2Å; L166-P278 HydrophobicContact CD2-CB 3.93Å; L166-P278 HydrophobicContact CD2-CG 3.83Å; C276-P278 VanDerWaalsContact C-CD 3.43Å; P278-C314 VanDerWaalsContact CD-SG 3.56Å; P278-C314 VanDerWaalsContact CG-SG 3.51Å; P278-Q318 HydrophobicContact CB-CG 4.47Å; P278-Q318 HydrophobicContact CG-CB 4.09Å; P278-Q318 HydrophobicContact CG-CG 4.32Å; P278-L321 HydrophobicContact CB-CD1 3.92Å
279	I	97.6	Very high	94.1	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	23%	0.233	C	C	.	.	S	Bend	trans	-94.7	120.8	173.5	-59.6	-64.2	0	0	0	109.2	L166 L182 F183 C276 P277 W281 L284	L166-I279 HydrophobicContact CB-CD1 4.09Å; L166-I279 HydrophobicContact CD2-CD1 3.71Å; L166-I279 HydrophobicContact CD2-CG1 4.27Å; L166-I279 HydrophobicContact CG-CD1 3.66Å; L182-I279 HydrophobicContact CD2-CD1 4.3Å; L182-I279 HydrophobicContact CD2-CG1 4.21Å; F183-I279 HydrophobicContact CE1-CD1 4.14Å; F183-I279 HydrophobicContact CE1-CG1 4.33Å; C276-I279 PolarHBondContact O-N 2.92Å; C276-I279 VanDerWaalsContact SG-CG1 3.56Å; P277-I279 PolarHBondContact O-N 2.91Å; I279-W281 VanDerWaalsContact C-N 3.35Å; I279-W281 HydrophobicContact CB-CD2 4.34Å; I279-W281 HydrophobicContact CB-CZ2 4.08Å; I279-W281 HydrophobicContact CG1-CZ2 4.43Å; I279-W281 HydrophobicContact CG2-CD2 3.64Å; I279-W281 HydrophobicContact CG2-CE3 3.97Å; I279-W281 HydrophobicContact CG2-CG 4.07Å; I279-W281 HydrophobicContact CG2-CH2 4.25Å; I279-W281 HydrophobicContact CG2-CZ2 3.92Å; I279-W281 HydrophobicContact CG2-CZ3 4.26Å; I279-W281 PolarHBondContact O-N 3.45Å; I279-W281 VanDerWaalsContact O-N 3.08Å; I279-L284 HydrophobicContact CG2-CD2 4.13Å
280	D	97	Very high	93.1	Very high	81 Å²	81	46.2 Å²	46.2	43%	0.433	24%	0.243	S	C	.	.			trans	-78.2	88.3	167.1	-173.8	-18.3	0	0	0	108.5	T167 D282 Y283 L284	T167-D280 HydrophobicContact CG2-CB 4.41Å; T167-D280 PolarHBondContact OG1-N 2.85Å; D280-D282 VanDerWaalsContact C-N 3.3Å; D280-D282 PolarHBondContact O-N 3.13Å; D280-D282 PolarHBondContact OD1-N 3.04Å; D280-Y283 PolarHBondContact O-N 3.03Å; D280-Y283 WeakPolarHBondContact OD1-CB 3.43Å; D280-Y283 PolarHBondContact OD1-N 3Å; D280-Y283 WeakPolarHBondContact OD2-CB 3.36Å; D280-L284 VanDerWaalsContact O-CB 3.32Å; D280-L284 WeakPolarHBondContact O-CB 3.48Å; D280-L284 PolarHBondContact O-N 3.13Å
281	W	96.5	Very high	91.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-34.2	-177	-67.7	99.8	0	0	0	113.4	F183 I196 I269 L272 K273 C276 I279 L284 F285 F310	F183-W281 HydrophobicContact CD1-CH2 4.44Å; F183-W281 HydrophobicContact CD2-CH2 4.13Å; F183-W281 HydrophobicContact CD2-CZ3 4.34Å; F183-W281 HydrophobicContact CE1-CH2 4.29Å; F183-W281 AromaticContact CE2-CH2 3.95Å; F183-W281 HydrophobicContact CE2-CH2 3.95Å; F183-W281 AromaticContact CE2-CZ3 3.82Å; F183-W281 HydrophobicContact CE2-CZ3 3.82Å; F183-W281 HydrophobicContact CG-CH2 4.38Å; F183-W281 HydrophobicContact CZ-CH2 4.05Å; F183-W281 HydrophobicContact CZ-CZ3 4.04Å; I196-W281 HydrophobicContact CD1-CH2 4.13Å; I196-W281 HydrophobicContact CD1-CZ3 3.71Å; I196-W281 HydrophobicContact CG1-CH2 4.41Å; I196-W281 HydrophobicContact CG1-CZ3 4.33Å; I196-W281 HydrophobicContact CG2-CH2 4.23Å; I269-W281 HydrophobicContact CD1-CB 3.84Å; L272-W281 HydrophobicContact CD1-CD2 4.45Å; L272-W281 HydrophobicContact CD1-CH2 4.21Å; L272-W281 HydrophobicContact CD1-CZ2 3.88Å; L272-W281 HydrophobicContact CD2-CB 4.34Å; L272-W281 HydrophobicContact CD2-CD2 3.37Å; L272-W281 HydrophobicContact CD2-CE3 3.48Å; L272-W281 VanDerWaalsContact CD2-CE3 3.48Å; L272-W281 HydrophobicContact CD2-CG 3.76Å; L272-W281 HydrophobicContact CD2-CH2 4.32Å; L272-W281 HydrophobicContact CD2-CZ2 4.24Å; L272-W281 HydrophobicContact CD2-CZ3 3.97Å; L272-W281 HydrophobicContact CG-CD2 3.67Å; L272-W281 HydrophobicContact CG-CE3 4.2Å; L272-W281 HydrophobicContact CG-CG 3.98Å; L272-W281 HydrophobicContact CG-CH2 4.44Å; L272-W281 HydrophobicContact CG-CZ2 3.95Å; L272-W281 PolarHBondContact O-NE1 2.99Å; K273-W281 HydrophobicContact CG-CB 4.45Å; C276-W281 HydrophobicContact CB-CZ2 4.03Å; C276-W281 PolarHBondContact O-NE1 2.92Å; I279-W281 VanDerWaalsContact C-N 3.35Å; I279-W281 HydrophobicContact CB-CD2 4.34Å; I279-W281 HydrophobicContact CB-CZ2 4.08Å; I279-W281 HydrophobicContact CG1-CZ2 4.43Å; I279-W281 HydrophobicContact CG2-CD2 3.64Å; I279-W281 HydrophobicContact CG2-CE3 3.97Å; I279-W281 HydrophobicContact CG2-CG 4.07Å; I279-W281 HydrophobicContact CG2-CH2 4.25Å; I279-W281 HydrophobicContact CG2-CZ2 3.92Å; I279-W281 HydrophobicContact CG2-CZ3 4.26Å; I279-W281 PolarHBondContact O-N 3.45Å; I279-W281 VanDerWaalsContact O-N 3.08Å; W281-L284 HydrophobicContact CE3-CD2 3.91Å; W281-L284 HydrophobicContact CZ3-CD2 3.9Å; W281-F285 HydrophobicContact CE3-CD1 4.45Å; W281-F285 AromaticContact CE3-CE1 3.68Å; W281-F285 HydrophobicContact CE3-CE1 3.68Å; W281-F285 AromaticContact CE3-CZ 3.79Å; W281-F285 HydrophobicContact CE3-CZ 3.79Å; W281-F285 HydrophobicContact CZ3-CE1 4.05Å; W281-F285 HydrophobicContact CZ3-CZ 4.29Å; W281-F285 VanDerWaalsContact O-CB 3.23Å; W281-F285 WeakPolarHBondContact O-CB 3.38Å; W281-F285 VanDerWaalsContact O-CG 3.23Å; W281-F285 WeakPolarHBondContact O-CG 3.26Å; W281-F285 PolarHBondContact O-N 2.86Å; W281-F310 HydrophobicContact CH2-CE1 4.19Å; W281-F310 AromaticContact CH2-CZ 3.76Å; W281-F310 HydrophobicContact CH2-CZ 3.76Å; W281-F310 AromaticContact CZ2-CE1 3.88Å; W281-F310 HydrophobicContact CZ2-CE1 3.88Å; W281-F310 AromaticContact CZ2-CZ 3.62Å; W281-F310 HydrophobicContact CZ2-CZ 3.62Å
282	D	94.3	Very high	90.4	Very high	80 Å²	80	47.1 Å²	47.1	43%	0.428	25%	0.254	S	S	.	.	H	α-helix	trans	-67.4	-48	178.8	-63	-30	0	0	0	109.5	K273 D280 D286	K273-D282 WeakPolarHBondContact CE-OD1 3.35Å; K273-D282 VanDerWaalsContact CE-OD2 3.27Å; K273-D282 WeakPolarHBondContact CE-OD2 3.36Å; K273-D282 IonicContact NZ-OD1 3.28Å; K273-D282 PolarHBondContact NZ-OD1 3.02Å; K273-D282 IonicContact NZ-OD2 3.07Å; K273-D282 PolarHBondContact NZ-OD2 3.08Å; D280-D282 VanDerWaalsContact C-N 3.3Å; D280-D282 PolarHBondContact O-N 3.13Å; D280-D282 PolarHBondContact OD1-N 3.04Å; D282-D286 VanDerWaalsContact O-CB 3.27Å; D282-D286 WeakPolarHBondContact O-CB 3.32Å; D282-D286 PolarHBondContact O-N 3.05Å
283	Y	94.4	Very high	89	Confident	69 Å²	69	49.8 Å²	49.8	27%	0.271	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.4	177.7	-111.3	0	0	0	112.2	T167 L171 D280 D286 K287	T167-Y283 HydrophobicContact CG2-CD1 3.82Å; T167-Y283 HydrophobicContact CG2-CE1 4.48Å; L171-Y283 HydrophobicContact CD2-CE1 3.95Å; D280-Y283 PolarHBondContact O-N 3.03Å; D280-Y283 WeakPolarHBondContact OD1-CB 3.43Å; D280-Y283 PolarHBondContact OD1-N 3Å; D280-Y283 WeakPolarHBondContact OD2-CB 3.36Å; Y283-D286 PolarHBondContact O-N 3.29Å; Y283-K287 HydrophobicContact CD2-CG 4.26Å; Y283-K287 HydrophobicContact CE1-CG 4.35Å; Y283-K287 HydrophobicContact CE2-CD 4.31Å; Y283-K287 HydrophobicContact CE2-CG 3.92Å; Y283-K287 WeakPolarHBondContact O-CB 3.35Å; Y283-K287 VanDerWaalsContact O-CG 3.32Å; Y283-K287 WeakPolarHBondContact O-CG 3.45Å; Y283-K287 PolarHBondContact O-N 2.76Å
284	L	94	Very high	87.6	Confident	2 Å²	2	48 Å²	48	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-52	178.6	180	71.2	0	0	0	111.4	T167 L171 I174 F183 I279 D280 W281 K287 V288	T167-L284 HydrophobicContact CG2-CB 3.87Å; T167-L284 HydrophobicContact CG2-CD1 4.26Å; L171-L284 HydrophobicContact CD1-CD1 3.77Å; I174-L284 HydrophobicContact CB-CD1 4.39Å; I174-L284 HydrophobicContact CG2-CD1 4.15Å; F183-L284 HydrophobicContact CE2-CD2 3.88Å; F183-L284 HydrophobicContact CZ-CD2 3.51Å; I279-L284 HydrophobicContact CG2-CD2 4.13Å; D280-L284 VanDerWaalsContact O-CB 3.32Å; D280-L284 WeakPolarHBondContact O-CB 3.48Å; D280-L284 PolarHBondContact O-N 3.13Å; W281-L284 HydrophobicContact CE3-CD2 3.91Å; W281-L284 HydrophobicContact CZ3-CD2 3.9Å; L284-K287 PolarHBondContact O-N 2.77Å; L284-V288 HydrophobicContact CD1-CG2 4.17Å; L284-V288 HydrophobicContact CG-CG2 4.46Å; L284-V288 WeakPolarHBondContact O-CB 3.22Å; L284-V288 VanDerWaalsContact O-CG2 3.31Å; L284-V288 WeakPolarHBondContact O-CG2 3.39Å; L284-V288 PolarHBondContact O-N 2.89Å
285	F	92.5	Very high	86.4	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-42.2	-178.7	-73.7	-4.5	0	0	0	111.3	L185 I194 I196 I269 L272 W281 K287 V288 F289 Y297 I302	L185-F285 HydrophobicContact CD1-CE1 3.83Å; L185-F285 HydrophobicContact CD2-CD1 4.38Å; L185-F285 HydrophobicContact CD2-CE1 4.3Å; I194-F285 HydrophobicContact CD1-CD2 4.36Å; I194-F285 HydrophobicContact CD1-CE2 4.08Å; I194-F285 HydrophobicContact CD1-CZ 4.41Å; I194-F285 HydrophobicContact CG2-CE1 4.2Å; I194-F285 HydrophobicContact CG2-CZ 3.88Å; I196-F285 HydrophobicContact CD1-CE1 4.44Å; I196-F285 HydrophobicContact CD1-CZ 4.45Å; I269-F285 HydrophobicContact CD1-CD2 4.23Å; I269-F285 HydrophobicContact CD1-CE2 3.9Å; L272-F285 HydrophobicContact CD2-CE2 4.21Å; L272-F285 HydrophobicContact CD2-CZ 3.87Å; W281-F285 HydrophobicContact CE3-CD1 4.45Å; W281-F285 AromaticContact CE3-CE1 3.68Å; W281-F285 HydrophobicContact CE3-CE1 3.68Å; W281-F285 AromaticContact CE3-CZ 3.79Å; W281-F285 HydrophobicContact CE3-CZ 3.79Å; W281-F285 HydrophobicContact CZ3-CE1 4.05Å; W281-F285 HydrophobicContact CZ3-CZ 4.29Å; W281-F285 VanDerWaalsContact O-CB 3.23Å; W281-F285 WeakPolarHBondContact O-CB 3.38Å; W281-F285 VanDerWaalsContact O-CG 3.23Å; W281-F285 WeakPolarHBondContact O-CG 3.26Å; W281-F285 PolarHBondContact O-N 2.86Å; F285-K287 VanDerWaalsContact C-N 3.34Å; F285-K287 PolarHBondContact O-N 3.49Å; F285-V288 PolarHBondContact O-N 3.29Å; F285-F289 HydrophobicContact CB-CD2 3.87Å; F285-F289 HydrophobicContact CB-CE2 4.07Å; F285-F289 AromaticContact CD1-CE2 3.93Å; F285-F289 HydrophobicContact CD1-CE2 3.93Å; F285-F289 HydrophobicContact CG-CD2 4.27Å; F285-F289 AromaticContact CG-CE2 3.94Å; F285-F289 HydrophobicContact CG-CE2 3.94Å; F285-F289 WeakPolarHBondContact O-CB 3.38Å; F285-F289 WeakPolarHBondContact O-CD2 3.42Å; F285-F289 PolarHBondContact O-N 3.49Å; F285-Y297 HydrophobicContact CB-CD2 4.16Å; F285-Y297 HydrophobicContact CB-CE2 3.76Å; F285-I302 HydrophobicContact CE2-CD1 4.02Å
286	D	89.8	Confident	85.5	Confident	62 Å²	62	56.9 Å²	56.9	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-58.5	-46.6	176.1	-170.6	67.1	0	0	0	111.5	D282 Y283 N290 Y297	D282-D286 VanDerWaalsContact O-CB 3.27Å; D282-D286 WeakPolarHBondContact O-CB 3.32Å; D282-D286 PolarHBondContact O-N 3.05Å; Y283-D286 PolarHBondContact O-N 3.29Å; D286-N290 WeakPolarHBondContact O-CB 3.48Å; D286-N290 PolarHBondContact O-N 2.65Å; D286-N290 PolarHBondContact O-ND2 3.38Å; D286-N290 VanDerWaalsContact O-ND2 3.12Å; D286-N290 PolarHBondContact OD1-ND2 2.79Å; D286-N290 PolarHBondContact OD2-ND2 2.99Å; D286-Y297 WeakPolarHBondContact CA-OH 3.36Å; D286-Y297 PolarHBondContact OD1-OH 3.13Å
287	K	86.3	Confident	84.6	Confident	86 Å²	86	58.6 Å²	58.6	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-47.4	178.7	-71.1	-65.3	-178	-171.3	0	113.1	L171 Y283 L284 F285 Q291	L171-K287 HydrophobicContact CD1-CB 3.79Å; L171-K287 HydrophobicContact CD1-CG 4.46Å; L171-K287 HydrophobicContact CD2-CB 4.21Å; L171-K287 HydrophobicContact CD2-CG 4.04Å; Y283-K287 HydrophobicContact CD2-CG 4.26Å; Y283-K287 HydrophobicContact CE1-CG 4.35Å; Y283-K287 HydrophobicContact CE2-CD 4.31Å; Y283-K287 HydrophobicContact CE2-CG 3.92Å; Y283-K287 WeakPolarHBondContact O-CB 3.35Å; Y283-K287 VanDerWaalsContact O-CG 3.32Å; Y283-K287 WeakPolarHBondContact O-CG 3.45Å; Y283-K287 PolarHBondContact O-N 2.76Å; L284-K287 PolarHBondContact O-N 2.77Å; F285-K287 VanDerWaalsContact C-N 3.34Å; F285-K287 PolarHBondContact O-N 3.49Å; K287-Q291 WeakPolarHBondContact O-CG 3.38Å
288	V	85.4	Confident	84.1	Confident	23 Å²	23	60.6 Å²	60.6	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-69.7	-48.2	-176.7	173.9	0	0	0	0	110.8	L171 I174 L185 L284 F285	L171-V288 HydrophobicContact CD1-CG2 4.23Å; I174-V288 HydrophobicContact CG2-CG2 3.89Å; L185-V288 HydrophobicContact CD2-CB 4.37Å; L185-V288 HydrophobicContact CD2-CG1 4.01Å; L185-V288 HydrophobicContact CD2-CG2 4.28Å; L284-V288 HydrophobicContact CD1-CG2 4.17Å; L284-V288 HydrophobicContact CG-CG2 4.46Å; L284-V288 WeakPolarHBondContact O-CB 3.22Å; L284-V288 VanDerWaalsContact O-CG2 3.31Å; L284-V288 WeakPolarHBondContact O-CG2 3.39Å; L284-V288 PolarHBondContact O-N 2.89Å; F285-V288 PolarHBondContact O-N 3.29Å
289	F	81.9	Confident	83.5	Confident	14 Å²	14	65.6 Å²	65.6	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-78.5	-32.1	-175.1	-67.6	-64.4	0	0	0	113.4	I187 I194 F285 Q291 T292 G293 F294 Y297	I187-F289 HydrophobicContact CD1-CE1 3.86Å; I187-F289 HydrophobicContact CD1-CZ 4.07Å; I187-F289 HydrophobicContact CG1-CE1 4.45Å; I194-F289 HydrophobicContact CD1-CE2 3.76Å; I194-F289 HydrophobicContact CD1-CZ 3.87Å; I194-F289 HydrophobicContact CG1-CE2 4.3Å; I194-F289 HydrophobicContact CG1-CZ 3.88Å; I194-F289 HydrophobicContact CG2-CZ 4.4Å; F285-F289 HydrophobicContact CB-CD2 3.87Å; F285-F289 HydrophobicContact CB-CE2 4.07Å; F285-F289 AromaticContact CD1-CE2 3.93Å; F285-F289 HydrophobicContact CD1-CE2 3.93Å; F285-F289 HydrophobicContact CG-CD2 4.27Å; F285-F289 AromaticContact CG-CE2 3.94Å; F285-F289 HydrophobicContact CG-CE2 3.94Å; F285-F289 WeakPolarHBondContact O-CB 3.38Å; F285-F289 WeakPolarHBondContact O-CD2 3.42Å; F285-F289 PolarHBondContact O-N 3.49Å; F289-Q291 VanDerWaalsContact C-N 3.26Å; F289-Q291 PolarHBondContact O-N 3.36Å; F289-T292 PolarHBondContact O-N 3.02Å; F289-T292 PolarHBondContact O-OG1 3.29Å; F289-G293 PolarHBondContact O-N 3.34Å; F289-F294 HydrophobicContact CD1-CD1 4.38Å; F289-F294 PolarHBondContact O-N 3.03Å; F289-Y297 HydrophobicContact CB-CD1 3.41Å; F289-Y297 VanDerWaalsContact CB-CD1 3.41Å; F289-Y297 HydrophobicContact CB-CD2 4.47Å; F289-Y297 HydrophobicContact CB-CE1 3.96Å; F289-Y297 HydrophobicContact CB-CG 3.7Å; F289-Y297 HydrophobicContact CD2-CD1 4.13Å; F289-Y297 AromaticContact CD2-CD2 3.62Å; F289-Y297 HydrophobicContact CD2-CD2 3.62Å; F289-Y297 HydrophobicContact CD2-CE2 4.29Å; F289-Y297 AromaticContact CD2-CG 3.54Å; F289-Y297 HydrophobicContact CD2-CG 3.54Å; F289-Y297 HydrophobicContact CE2-CD2 4.24Å; F289-Y297 HydrophobicContact CE2-CG 4.35Å; F289-Y297 AromaticContact CG-CD1 3.98Å; F289-Y297 HydrophobicContact CG-CD1 3.98Å; F289-Y297 HydrophobicContact CG-CD2 4.27Å; F289-Y297 AromaticContact CG-CG 3.7Å; F289-Y297 HydrophobicContact CG-CG 3.7Å
290	N	73.8	Confident	82.9	Confident	78 Å²	78	66.7 Å²	66.7	42%	0.417	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-34	175.6	-76.4	-26.4	0	0	0	112.4	D286 T292 G293	D286-N290 WeakPolarHBondContact O-CB 3.48Å; D286-N290 PolarHBondContact O-N 2.65Å; D286-N290 PolarHBondContact O-ND2 3.38Å; D286-N290 VanDerWaalsContact O-ND2 3.12Å; D286-N290 PolarHBondContact OD1-ND2 2.79Å; D286-N290 PolarHBondContact OD2-ND2 2.99Å; N290-T292 PolarHBondContact O-N 2.89Å; N290-G293 PolarHBondContact O-N 3.19Å
291	Q	67.3	Low	82.5	Confident	138 Å²	138	65.9 Å²	65.9	65%	0.645	33%	0.329	S	S	*	.	H	α-helix	trans	-61.1	-29.1	174.9	-74	177.7	-5.5	0	0	112.6	K287 F289 G293	K287-Q291 WeakPolarHBondContact O-CG 3.38Å; F289-Q291 VanDerWaalsContact C-N 3.26Å; F289-Q291 PolarHBondContact O-N 3.36Å; Q291-G293 VanDerWaalsContact C-N 3.29Å
292	T	69.5	Low	82.4	Confident	96 Å²	96	66.6 Å²	66.6	59%	0.589	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-10.2	176.3	73.8	0	0	0	0	113.2	F289 N290 F294	F289-T292 PolarHBondContact O-N 3.02Å; F289-T292 PolarHBondContact O-OG1 3.29Å; N290-T292 PolarHBondContact O-N 2.89Å; T292-F294 PolarHBondContact O-N 3.21Å; T292-F294 WeakPolarHBondContact OG1-CB 3.47Å; T292-F294 PolarHBondContact OG1-N 2.92Å
293	G	67.6	Low	82.4	Confident	56 Å²	56	64.4 Å²	64.4	58%	0.577	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	4.5	-169.7	0	0	0	0	0	113.9	F289 N290 Q291 R295	F289-G293 PolarHBondContact O-N 3.34Å; N290-G293 PolarHBondContact O-N 3.19Å; Q291-G293 VanDerWaalsContact C-N 3.29Å; G293-R295 PolarHBondContact O-N 3.26Å
294	F	67.8	Low	82.3	Confident	31 Å²	31	61.1 Å²	61.1	14%	0.136	31%	0.306	C	S	.	.			trans	-83.2	100.5	-175.7	-173.3	-124.9	0	0	0	112.4	F289 T292 N296 Y297 L300 A462	F289-F294 HydrophobicContact CD1-CD1 4.38Å; F289-F294 PolarHBondContact O-N 3.03Å; T292-F294 PolarHBondContact O-N 3.21Å; T292-F294 WeakPolarHBondContact OG1-CB 3.47Å; T292-F294 PolarHBondContact OG1-N 2.92Å; F294-N296 HydrophobicContact CE2-CB 4.08Å; F294-N296 HydrophobicContact CZ-CB 3.97Å; F294-Y297 WeakPolarHBondContact O-CD1 3.49Å; F294-L300 HydrophobicContact CE1-CD1 3.8Å; F294-L300 HydrophobicContact CE1-CG 4.24Å; F294-A462 WeakPolarHBondContact CE2-O 3.29Å; F294-A462 WeakPolarHBondContact CZ-O 3.45Å
295	R	71.4	Confident	82.1	Confident	210 Å²	210	61.9 Å²	61.9	79%	0.792	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.3	-172	-62.1	-172.5	-179.1	-171.8	-1.4	116.3	G293 H298	G293-R295 PolarHBondContact O-N 3.26Å; R295-H298 PolarHBondContact O-CE1 3.11Å
296	N	77.5	Confident	81.8	Confident	50 Å²	50	62.6 Å²	62.6	27%	0.267	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	21.3	-170.4	-72.8	-33.5	0	0	0	113	F294 H298 K299 A462	F294-N296 HydrophobicContact CE2-CB 4.08Å; F294-N296 HydrophobicContact CZ-CB 3.97Å; N296-H298 PolarHBondContact O-N 2.87Å; N296-K299 HydrophobicContact CB-CD 4.4Å; N296-K299 WeakPolarHBondContact O-CB 3.33Å; N296-K299 PolarHBondContact O-N 2.91Å; N296-A462 WeakPolarHBondContact CB-O 3.47Å; N296-A462 PolarHBondContact ND2-O 3.14Å; N296-A462 VanDerWaalsContact ND2-O 3.16Å
297	Y	79.6	Confident	81.9	Confident	36 Å²	36	62.1 Å²	62.1	14%	0.141	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-59	-32	-176.5	65.3	-94.6	0	0	0	113.6	F285 D286 F289 F294 K299 L300	F285-Y297 HydrophobicContact CB-CD2 4.16Å; F285-Y297 HydrophobicContact CB-CE2 3.76Å; D286-Y297 WeakPolarHBondContact CA-OH 3.36Å; D286-Y297 PolarHBondContact OD1-OH 3.13Å; F289-Y297 HydrophobicContact CB-CD1 3.41Å; F289-Y297 VanDerWaalsContact CB-CD1 3.41Å; F289-Y297 HydrophobicContact CB-CD2 4.47Å; F289-Y297 HydrophobicContact CB-CE1 3.96Å; F289-Y297 HydrophobicContact CB-CG 3.7Å; F289-Y297 HydrophobicContact CD2-CD1 4.13Å; F289-Y297 AromaticContact CD2-CD2 3.62Å; F289-Y297 HydrophobicContact CD2-CD2 3.62Å; F289-Y297 HydrophobicContact CD2-CE2 4.29Å; F289-Y297 AromaticContact CD2-CG 3.54Å; F289-Y297 HydrophobicContact CD2-CG 3.54Å; F289-Y297 HydrophobicContact CE2-CD2 4.24Å; F289-Y297 HydrophobicContact CE2-CG 4.35Å; F289-Y297 AromaticContact CG-CD1 3.98Å; F289-Y297 HydrophobicContact CG-CD1 3.98Å; F289-Y297 HydrophobicContact CG-CD2 4.27Å; F289-Y297 AromaticContact CG-CG 3.7Å; F289-Y297 HydrophobicContact CG-CG 3.7Å; F294-Y297 WeakPolarHBondContact O-CD1 3.49Å; Y297-K299 PolarHBondContact O-N 3.17Å; Y297-L300 WeakPolarHBondContact O-CB 3.29Å; Y297-L300 PolarHBondContact O-N 3.25Å
298	H	85.2	Confident	82	Confident	124 Å²	124	65.2 Å²	65.2	57%	0.574	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-59.9	-13.9	174.9	58.5	-91.5	0	0	0	114.3	R295 N296	R295-H298 PolarHBondContact O-CE1 3.11Å; N296-H298 PolarHBondContact O-N 2.87Å
299	K	83.8	Confident	82	Confident	130 Å²	130	64.9 Å²	64.9	57%	0.565	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-90.4	-9.2	175.6	-58.9	-174.8	178.8	174.2	0	113.2	N296 Y297	N296-K299 HydrophobicContact CB-CD 4.4Å; N296-K299 WeakPolarHBondContact O-CB 3.33Å; N296-K299 PolarHBondContact O-N 2.91Å; Y297-K299 PolarHBondContact O-N 3.17Å
300	L	84.6	Confident	82.4	Confident	27 Å²	27	64.7 Å²	64.7	14%	0.141	32%	0.32	C	S	.	.	S	Bend	trans	-79.7	136.7	179.3	-59.5	-177.6	0	0	0	109.4	I187 R192 I194 F294 Y297	I187-L300 HydrophobicContact CD1-CD1 3.88Å; R192-L300 WeakPolarHBondContact O-CD2 3.47Å; I194-L300 HydrophobicContact CD1-CB 4.31Å; I194-L300 HydrophobicContact CG1-CB 4.01Å; I194-L300 HydrophobicContact CG1-CD1 4.06Å; F294-L300 HydrophobicContact CE1-CD1 3.8Å; F294-L300 HydrophobicContact CE1-CG 4.24Å; Y297-L300 WeakPolarHBondContact O-CB 3.29Å; Y297-L300 PolarHBondContact O-N 3.25Å
301	P	89.9	Confident	83.3	Confident	64 Å²	64	65.5 Å²	65.5	42%	0.416	32%	0.322	S	S	.	.			trans	-60.2	149.5	168.5	25.3	-32.2	0	0	0	110.1	R192 A193 I194	R192-P301 WeakPolarHBondContact O-CD 3.42Å; A193-P301 CarbonylContact C-O 3.45Å; A193-P301 WeakPolarHBondContact CA-O 3.19Å; A193-P301 HydrophobicContact CB-CB 4.46Å; A193-P301 HydrophobicContact CB-CG 3.94Å; A193-P301 WeakPolarHBondContact CB-O 3.31Å; I194-P301 PolarHBondContact N-O 2.81Å
302	I	94.2	Very high	84.4	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.077	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.7	174.6	-57.2	169.1	0	0	0	107.4	I194 I196 S266 V267 I269 L272 F285	I194-I302 HydrophobicContact CB-CG1 4.38Å; I194-I302 HydrophobicContact CD1-CG1 4.47Å; I194-I302 CarbonylContact O-C 3.44Å; I194-I302 WeakPolarHBondContact O-CA 3.45Å; I196-I302 HydrophobicContact CG1-CG2 4.38Å; S266-I302 CarbonylContact C-O 3.58Å; S266-I302 VanDerWaalsContact CA-O 3.26Å; S266-I302 WeakPolarHBondContact CA-O 3.47Å; V267-I302 HydrophobicContact CG2-CB 4.06Å; V267-I302 HydrophobicContact CG2-CG2 3.74Å; V267-I302 PolarHBondContact N-O 3.37Å; I269-I302 HydrophobicContact CB-CD1 4.15Å; I269-I302 HydrophobicContact CD1-CD1 3.97Å; L272-I302 HydrophobicContact CD2-CD1 4.23Å; L272-I302 HydrophobicContact CD2-CG2 4.09Å; F285-I302 HydrophobicContact CE2-CD1 4.02Å
303	K	93	Very high	85.3	Confident	34 Å²	34	61.1 Å²	61.1	15%	0.148	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.4	173.6	-71.3	-171.1	-178	-162.8	0	109.8	D191 A193 I194 R195 I196 N264 Q265	D191-K303 HydrophobicContact CB-CD 4.39Å; D191-K303 IonicContact OD1-NZ 3.72Å; D191-K303 PolarHBondContact OD1-NZ 3Å; D191-K303 IonicContact OD2-NZ 2.92Å; D191-K303 PolarHBondContact OD2-NZ 3.26Å; A193-K303 HydrophobicContact CB-CB 4.16Å; A193-K303 HydrophobicContact CB-CD 3.85Å; A193-K303 HydrophobicContact CB-CG 3.69Å; I194-K303 PolarHBondContact O-N 2.79Å; R195-K303 CarbonylContact C-O 3.41Å; R195-K303 WeakPolarHBondContact CA-O 3.37Å; I196-K303 PolarHBondContact N-O 2.75Å; N264-K303 HydrophobicContact CB-CD 4.47Å; Q265-K303 CarbonylContact O-C 3.57Å; Q265-K303 WeakPolarHBondContact O-CA 3.43Å
304	V	94	Very high	86.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.4	174.9	-177.3	0	0	0	0	108.4	I196 Q265 V267 L272 K307 F310	I196-V304 HydrophobicContact CB-CG2 4.24Å; I196-V304 WeakPolarHBondContact O-CA 3.21Å; Q265-V304 PolarHBondContact N-O 2.97Å; Q265-V304 PolarHBondContact O-N 3.23Å; V267-V304 HydrophobicContact CG1-CG2 4.24Å; V267-V304 HydrophobicContact CG2-CG2 3.61Å; L272-V304 HydrophobicContact CD1-CG2 3.8Å; V304-K307 HydrophobicContact CG1-CB 4.23Å; V304-F310 HydrophobicContact CG1-CB 4.09Å; V304-F310 HydrophobicContact CG1-CD1 3.71Å; V304-F310 HydrophobicContact CG1-CG 4.2Å
305	E	89.5	Confident	87.8	Confident	18 Å²	18	58.3 Å²	58.3	8%	0.084	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130	170.7	-171.1	-176.6	152.7	0	0	109	I196 S197 K262 K307	I196-E305 PolarHBondContact O-N 3.21Å; S197-E305 WeakPolarHBondContact CB-OE2 3.32Å; K262-E305 HydrophobicContact CB-CG 4.33Å; K262-E305 WeakPolarHBondContact CD-OE1 3.23Å; K262-E305 WeakPolarHBondContact CE-OE1 3.32Å; K262-E305 WeakPolarHBondContact CG-OE1 3.43Å; K262-E305 IonicContact NZ-OE1 3.93Å; K262-E305 PolarHBondContact NZ-OE1 3.15Å; E305-K307 PolarHBondContact O-N 3.14Å
306	E	86.6	Confident	88.7	Confident	22 Å²	22	50.3 Å²	50.3	10%	0.103	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	53.9	176	-62.8	-177.2	115.1	0	0	112.7	T259 T263 H308 L309 F310	T259-E306 PolarHBondContact OG1-OE1 3.42Å; T263-E306 PolarHBondContact O-N 3.36Å; E306-H308 PolarHBondContact O-N 3.02Å; E306-L309 HydrophobicContact CB-CB 3.95Å; E306-L309 HydrophobicContact CB-CD2 4.46Å; E306-L309 WeakPolarHBondContact O-CA 3.38Å; E306-L309 WeakPolarHBondContact O-CB 3.36Å; E306-L309 PolarHBondContact O-N 3.31Å; E306-F310 PolarHBondContact O-N 3.45Å
307	K	90.2	Very high	89.4	Confident	53 Å²	53	48 Å²	48	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-38.8	-47.1	-175.6	176.1	176.3	172.7	167.4	0	115	Q265 V267 I275 V304 E305 F310 Q311	Q265-K307 VanDerWaalsContact OE1-CB 3.27Å; V267-K307 HydrophobicContact CG1-CD 4.33Å; I275-K307 HydrophobicContact CD1-CD 3.79Å; I275-K307 VanDerWaalsContact CD1-CE 3.44Å; I275-K307 HydrophobicContact CD1-CG 3.78Å; I275-K307 HydrophobicContact CG1-CD 4.31Å; I275-K307 HydrophobicContact CG1-CG 4.12Å; V304-K307 HydrophobicContact CG1-CB 4.23Å; E305-K307 PolarHBondContact O-N 3.14Å; K307-F310 PolarHBondContact O-N 3.27Å; K307-Q311 PolarHBondContact O-N 3.47Å
308	H	88.3	Confident	90.1	Very high	151 Å²	151	50.5 Å²	50.5	70%	0.699	24%	0.241	S	C	*	.	H	α-helix	trans	-63.8	-42.8	179.3	176.9	-87.6	0	0	0	112.4	E306 Q311 Y312	E306-H308 PolarHBondContact O-N 3.02Å; H308-Q311 PolarHBondContact O-N 3.44Å; H308-Y312 PolarHBondContact O-N 3.43Å
309	L	85.4	Confident	90.4	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-40.7	176.9	-179.8	56.6	0	0	0	111.2	T257 E306 Y312 R313	T257-L309 HydrophobicContact CG2-CD1 3.76Å; T257-L309 WeakPolarHBondContact O-CD2 3.13Å; E306-L309 HydrophobicContact CB-CB 3.95Å; E306-L309 HydrophobicContact CB-CD2 4.46Å; E306-L309 WeakPolarHBondContact O-CA 3.38Å; E306-L309 WeakPolarHBondContact O-CB 3.36Å; E306-L309 PolarHBondContact O-N 3.31Å; L309-Y312 HydrophobicContact CD1-CD1 4.49Å; L309-Y312 PolarHBondContact O-N 3.07Å; L309-R313 HydrophobicContact CD1-CG 4.31Å; L309-R313 WeakPolarHBondContact O-CG 3.47Å; L309-R313 PolarHBondContact O-N 3.42Å
310	F	91.5	Very high	90.8	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.044	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-44.8	175.1	179.5	-128	0	0	0	111.8	L182 F183 I196 L272 I275 C276 W281 V304 E306 K307 Y312 R313 C314	L182-F310 HydrophobicContact CD1-CE2 4.17Å; L182-F310 HydrophobicContact CG-CE2 4.07Å; F183-F310 HydrophobicContact CB-CD2 4.3Å; F183-F310 HydrophobicContact CB-CE2 3.65Å; F183-F310 HydrophobicContact CB-CZ 4.27Å; F183-F310 HydrophobicContact CD1-CE2 4.3Å; F183-F310 HydrophobicContact CG-CE2 4.2Å; F183-F310 HydrophobicContact CG-CZ 4.44Å; I196-F310 HydrophobicContact CG2-CD1 4.29Å; I196-F310 HydrophobicContact CG2-CE1 3.93Å; I196-F310 HydrophobicContact CG2-CE2 4.26Å; I196-F310 HydrophobicContact CG2-CZ 3.92Å; L272-F310 HydrophobicContact CD1-CE1 4.15Å; I275-F310 HydrophobicContact CG2-CD1 3.48Å; I275-F310 VanDerWaalsContact CG2-CD1 3.48Å; I275-F310 HydrophobicContact CG2-CE1 3.87Å; I275-F310 HydrophobicContact CG2-CG 4.43Å; C276-F310 HydrophobicContact CB-CE1 3.95Å; C276-F310 HydrophobicContact CB-CZ 3.88Å; W281-F310 HydrophobicContact CH2-CE1 4.19Å; W281-F310 AromaticContact CH2-CZ 3.76Å; W281-F310 HydrophobicContact CH2-CZ 3.76Å; W281-F310 AromaticContact CZ2-CE1 3.88Å; W281-F310 HydrophobicContact CZ2-CE1 3.88Å; W281-F310 AromaticContact CZ2-CZ 3.62Å; W281-F310 HydrophobicContact CZ2-CZ 3.62Å; V304-F310 HydrophobicContact CG1-CB 4.09Å; V304-F310 HydrophobicContact CG1-CD1 3.71Å; V304-F310 HydrophobicContact CG1-CG 4.2Å; E306-F310 PolarHBondContact O-N 3.45Å; K307-F310 PolarHBondContact O-N 3.27Å; F310-Y312 PolarHBondContact O-N 2.96Å; F310-R313 PolarHBondContact O-N 3.35Å; F310-C314 WeakPolarHBondContact O-CB 3.35Å; F310-C314 PolarHBondContact O-N 3.49Å
311	Q	92.6	Very high	91.1	Very high	96 Å²	96	43.4 Å²	43.4	45%	0.449	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-47.8	175.2	-172.5	171.4	10.8	0	0	112.1	I275 K307 H308 R313 C314 G315	I275-Q311 HydrophobicContact CG2-CB 4.05Å; K307-Q311 PolarHBondContact O-N 3.47Å; H308-Q311 PolarHBondContact O-N 3.44Å; Q311-R313 PolarHBondContact O-N 3.05Å; Q311-C314 PolarHBondContact O-N 2.88Å; Q311-G315 PolarHBondContact O-N 2.98Å
312	Y	89.5	Confident	91.1	Very high	119 Å²	119	47.1 Å²	47.1	47%	0.467	22%	0.224	S	C	.	.	H	α-helix	trans	-58.5	-47.9	178.3	174.5	-101.8	0	0	0	112	T257 H308 L309 F310 C314 G315 F316	T257-Y312 HydrophobicContact CG2-CE1 4.33Å; H308-Y312 PolarHBondContact O-N 3.43Å; L309-Y312 HydrophobicContact CD1-CD1 4.49Å; L309-Y312 PolarHBondContact O-N 3.07Å; F310-Y312 PolarHBondContact O-N 2.96Å; Y312-C314 VanDerWaalsContact C-N 3.31Å; Y312-C314 PolarHBondContact O-N 3.44Å; Y312-G315 PolarHBondContact O-N 3.1Å; Y312-F316 PolarHBondContact O-N 3.47Å; Y312-F316 VanDerWaalsContact O-N 3.1Å
313	R	89.2	Confident	90.9	Very high	22 Å²	22	49.2 Å²	49.2	8%	0.083	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-36.2	177.9	-73	-177.9	173.9	164.8	4.8	112.4	L182 S198 F252 L309 F310 Q311 F316 H317	L182-R313 HydrophobicContact CD1-CB 3.88Å; S198-R313 PolarHBondContact OG-NH1 2.92Å; F252-R313 VanDerWaalsContact CD1-NH2 3.28Å; F252-R313 VanDerWaalsContact CE1-NH1 3.26Å; L309-R313 HydrophobicContact CD1-CG 4.31Å; L309-R313 WeakPolarHBondContact O-CG 3.47Å; L309-R313 PolarHBondContact O-N 3.42Å; F310-R313 PolarHBondContact O-N 3.35Å; Q311-R313 PolarHBondContact O-N 3.05Å; R313-F316 WeakPolarHBondContact O-CB 3.37Å; R313-F316 PolarHBondContact O-N 2.92Å; R313-H317 PolarHBondContact O-N 3.41Å; R313-H317 VanDerWaalsContact O-N 3.14Å; R313-H317 PolarHBondContact O-ND1 2.97Å
314	C	93.7	Very high	90.7	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-42.1	174.8	-175.5	0	0	0	0	111.6	L182 C276 P278 F310 Q311 Y312 F316 H317 Q318	L182-C314 HydrophobicContact CD1-CB 4.13Å; C276-C314 WeakPolarHBondContact CA-SG 3.45Å; C276-C314 HydrophobicContact CB-CB 3.7Å; C276-C314 WeakPolarHBondContact CB-SG 3.44Å; C276-C314 WeakPolarHBondContact SG-CB 3.33Å; C276-C314 CovalentContact SG-SG 2.03Å; C276-C314 PolarHBondContact SG-SG 2.93Å; P278-C314 VanDerWaalsContact CD-SG 3.56Å; P278-C314 VanDerWaalsContact CG-SG 3.51Å; F310-C314 WeakPolarHBondContact O-CB 3.35Å; F310-C314 PolarHBondContact O-N 3.49Å; Q311-C314 PolarHBondContact O-N 2.88Å; Y312-C314 VanDerWaalsContact C-N 3.31Å; Y312-C314 PolarHBondContact O-N 3.44Å; C314-F316 VanDerWaalsContact C-N 3.34Å; C314-F316 PolarHBondContact O-N 2.97Å; C314-H317 PolarHBondContact O-N 2.88Å; C314-H317 VanDerWaalsContact O-N 3.13Å; C314-Q318 PolarHBondContact O-N 2.92Å
315	G	93.1	Very high	90.5	Very high	28 Å²	28	59.6 Å²	59.6	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-57.8	-43.4	173	0	0	0	0	0	112.8	Q311 Y312 H317 Q318 I319	Q311-G315 PolarHBondContact O-N 2.98Å; Y312-G315 PolarHBondContact O-N 3.1Å; G315-H317 VanDerWaalsContact C-N 3.3Å; G315-H317 PolarHBondContact O-N 2.92Å; G315-Q318 WeakPolarHBondContact O-CB 3.26Å; G315-Q318 PolarHBondContact O-N 2.75Å; G315-I319 WeakPolarHBondContact O-CG1 3.25Å; G315-I319 PolarHBondContact O-N 2.99Å; G315-I319 VanDerWaalsContact O-N 3.15Å
316	F	90.8	Very high	90.5	Very high	41 Å²	41	60.4 Å²	60.4	18%	0.18	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-41.4	174.9	179.9	-86.6	0	0	0	112.6	L244 R247 L248 Y312 R313 C314 Q320	L244-F316 HydrophobicContact CD1-CE1 4.2Å; L244-F316 HydrophobicContact CD1-CZ 4.42Å; R247-F316 HydrophobicContact CB-CE2 4.48Å; R247-F316 HydrophobicContact CB-CZ 3.82Å; L248-F316 HydrophobicContact CD2-CD1 3.63Å; L248-F316 HydrophobicContact CD2-CE1 3.36Å; L248-F316 HydrophobicContact CD2-CZ 4.45Å; L248-F316 HydrophobicContact CG-CE1 3.85Å; Y312-F316 PolarHBondContact O-N 3.47Å; Y312-F316 VanDerWaalsContact O-N 3.1Å; R313-F316 WeakPolarHBondContact O-CB 3.37Å; R313-F316 PolarHBondContact O-N 2.92Å; C314-F316 VanDerWaalsContact C-N 3.34Å; C314-F316 PolarHBondContact O-N 2.97Å; F316-Q320 HydrophobicContact CE1-CG 4.31Å; F316-Q320 WeakPolarHBondContact O-CG 3.22Å; F316-Q320 PolarHBondContact O-NE2 3.06Å; F316-Q320 VanDerWaalsContact O-NE2 3.16Å
317	H	93	Very high	90.7	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-71.1	-36	178.1	-76	66.4	0	0	0	112.6	L166 Y170 L182 L248 R313 C314 G315 I319 Q320	L166-H317 HydrophobicContact CD2-CB 4.01Å; Y170-H317 AromaticContact CE2-CD2 3.6Å; Y170-H317 AromaticContact CE2-NE2 3.98Å; Y170-H317 AromaticContact CZ-CD2 3.68Å; Y170-H317 AromaticContact CZ-NE2 3.86Å; Y170-H317 PolarHBondContact OH-CD2 3.27Å; Y170-H317 PolarHBondContact OH-NE2 3.42Å; L182-H317 HydrophobicContact CD2-CB 4.45Å; L248-H317 WeakPolarHBondContact CD2-CE1 3.45Å; R313-H317 PolarHBondContact O-N 3.41Å; R313-H317 VanDerWaalsContact O-N 3.14Å; R313-H317 PolarHBondContact O-ND1 2.97Å; C314-H317 PolarHBondContact O-N 2.88Å; C314-H317 VanDerWaalsContact O-N 3.13Å; G315-H317 VanDerWaalsContact C-N 3.3Å; G315-H317 PolarHBondContact O-N 2.92Å; H317-I319 VanDerWaalsContact C-N 3.31Å; H317-I319 PolarHBondContact O-N 3.29Å; H317-Q320 WeakPolarHBondContact O-CB 3.42Å; H317-Q320 PolarHBondContact O-N 3.27Å; H317-Q320 VanDerWaalsContact O-N 3.12Å
318	Q	93.9	Very high	90.7	Very high	87 Å²	87	60 Å²	60	41%	0.407	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-42	175.9	-171.9	173	-25	0	0	111.5	P278 C314 G315 Q320 L321	P278-Q318 HydrophobicContact CB-CG 4.47Å; P278-Q318 HydrophobicContact CG-CB 4.09Å; P278-Q318 HydrophobicContact CG-CG 4.32Å; C314-Q318 PolarHBondContact O-N 2.92Å; G315-Q318 WeakPolarHBondContact O-CB 3.26Å; G315-Q318 PolarHBondContact O-N 2.75Å; Q318-Q320 PolarHBondContact O-N 3.46Å; Q318-L321 WeakPolarHBondContact O-CB 3.41Å; Q318-L321 PolarHBondContact O-N 2.89Å
319	I	92.2	Very high	90.9	Very high	85 Å²	85	53.1 Å²	53.1	44%	0.436	27%	0.267	S	S	.	.	H	α-helix	trans	-59.2	-33.7	176.2	-66.5	164.7	0	0	0	111.3	G315 H317 L321 E322	G315-I319 WeakPolarHBondContact O-CG1 3.25Å; G315-I319 PolarHBondContact O-N 2.99Å; G315-I319 VanDerWaalsContact O-N 3.15Å; H317-I319 VanDerWaalsContact C-N 3.31Å; H317-I319 PolarHBondContact O-N 3.29Å; I319-L321 PolarHBondContact O-N 3.39Å; I319-L321 VanDerWaalsContact O-N 3.13Å; I319-E322 WeakPolarHBondContact O-CB 3.39Å; I319-E322 PolarHBondContact O-N 2.91Å
320	Q	90.7	Very high	91.3	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.019	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.2	178.4	-49.9	-46.2	-49.9	0	0	113.2	L244 F316 H317 Q318 N326 K327 L330	L244-Q320 HydrophobicContact CD1-CG 3.8Å; F316-Q320 HydrophobicContact CE1-CG 4.31Å; F316-Q320 WeakPolarHBondContact O-CG 3.22Å; F316-Q320 PolarHBondContact O-NE2 3.06Å; F316-Q320 VanDerWaalsContact O-NE2 3.16Å; H317-Q320 WeakPolarHBondContact O-CB 3.42Å; H317-Q320 PolarHBondContact O-N 3.27Å; H317-Q320 VanDerWaalsContact O-N 3.12Å; Q318-Q320 PolarHBondContact O-N 3.46Å; Q320-N326 HydrophobicContact CB-CB 4.28Å; Q320-N326 CarbonylContact O-C 3.58Å; Q320-N326 WeakPolarHBondContact O-CB 3.35Å; Q320-N326 PolarHBondContact OE1-OD1 2.97Å; Q320-K327 WeakPolarHBondContact O-CA 3.37Å; Q320-K327 PolarHBondContact O-N 2.89Å; Q320-L330 HydrophobicContact CB-CD2 4.26Å
321	L	91.2	Very high	91.3	Very high	43 Å²	43	52.1 Å²	52.1	23%	0.225	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.1	178.1	-53.3	172.9	0	0	0	113.1	L166 I169 P278 Q318 I319 K327 L330	L166-L321 HydrophobicContact CB-CD1 3.89Å; L166-L321 HydrophobicContact CB-CD2 4.4Å; L166-L321 HydrophobicContact CD1-CD2 4.35Å; I169-L321 HydrophobicContact CD1-CD2 4.32Å; P278-L321 HydrophobicContact CB-CD1 3.92Å; Q318-L321 WeakPolarHBondContact O-CB 3.41Å; Q318-L321 PolarHBondContact O-N 2.89Å; I319-L321 PolarHBondContact O-N 3.39Å; I319-L321 VanDerWaalsContact O-N 3.13Å; L321-K327 HydrophobicContact CD2-CG 4.47Å; L321-L330 HydrophobicContact CD2-CD2 3.93Å
322	E	90.4	Very high	91.3	Very high	142 Å²	142	47.9 Å²	47.9	66%	0.664	24%	0.242	S	C	*	.	S	Bend	trans	-74.3	-25	-171.8	-66.9	178.9	174	0	0	113.8	I319	I319-E322 WeakPolarHBondContact O-CB 3.39Å; I319-E322 PolarHBondContact O-N 2.91Å
323	T	90.5	Very high	91.4	Very high	59 Å²	59	42.2 Å²	42.2	36%	0.362	22%	0.22	S	C	.	.	S	Bend	trans	-126.2	142.1	-179	65.6	0	0	0	0	110.2	E325 N326 K327	T323-E325 PolarHBondContact O-N 2.78Å; T323-N326 PolarHBondContact O-N 3.15Å; T323-N326 VanDerWaalsContact OG1-CB 3.25Å; T323-N326 WeakPolarHBondContact OG1-CB 3.48Å; T323-N326 PolarHBondContact OG1-N 3.4Å; T323-N326 VanDerWaalsContact OG1-N 3.15Å; T323-N326 PolarHBondContact OG1-ND2 3.45Å; T323-K327 WeakPolarHBondContact O-CB 3.42Å; T323-K327 PolarHBondContact O-N 3.09Å
324	D	88.4	Confident	91.6	Very high	104 Å²	104	41.2 Å²	41.2	56%	0.556	22%	0.217	S	C	*	.	H	α-helix	trans	-54.8	-36.5	176.5	-66	-10.8	0	0	0	112.7	L162 S328	L162-D324 HydrophobicContact CD2-CB 3.71Å; L162-D324 VanDerWaalsContact CD2-CG 3.45Å; L162-D324 WeakPolarHBondContact CD2-OD1 3.46Å; D324-S328 VanDerWaalsContact O-CB 3.29Å; D324-S328 WeakPolarHBondContact O-CB 3.48Å; D324-S328 PolarHBondContact O-N 3.07Å
325	E	89.5	Confident	91.5	Very high	148 Å²	148	41.1 Å²	41.1	69%	0.692	22%	0.216	S	C	*	.	H	α-helix	trans	-64.7	-54.9	177.4	-174.3	-179.8	178.9	0	0	112.3	T323 K327 S328 A329	T323-E325 PolarHBondContact O-N 2.78Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 2.94Å; E325-S328 PolarHBondContact O-N 3.11Å; E325-A329 WeakPolarHBondContact O-CB 3.18Å; E325-A329 PolarHBondContact O-N 3.47Å
326	N	90.7	Very high	91.3	Very high	36 Å²	36	39.8 Å²	39.8	19%	0.193	20%	0.203	C	C	.	.	H	α-helix	trans	-62.1	-35.4	177	-72	-51.6	0	0	0	112	R247 Q320 T323 A329 L330	R247-N326 PolarHBondContact NH2-OD1 2.77Å; Q320-N326 HydrophobicContact CB-CB 4.28Å; Q320-N326 CarbonylContact O-C 3.58Å; Q320-N326 WeakPolarHBondContact O-CB 3.35Å; Q320-N326 PolarHBondContact OE1-OD1 2.97Å; T323-N326 PolarHBondContact O-N 3.15Å; T323-N326 VanDerWaalsContact OG1-CB 3.25Å; T323-N326 WeakPolarHBondContact OG1-CB 3.48Å; T323-N326 PolarHBondContact OG1-N 3.4Å; T323-N326 VanDerWaalsContact OG1-N 3.15Å; T323-N326 PolarHBondContact OG1-ND2 3.45Å; N326-A329 WeakPolarHBondContact O-CB 3.46Å; N326-A329 PolarHBondContact O-N 2.92Å; N326-L330 WeakPolarHBondContact O-CB 3.43Å; N326-L330 PolarHBondContact O-N 3.2Å
327	K	90.9	Very high	91.2	Very high	24 Å²	24	38.2 Å²	38.2	10%	0.104	20%	0.196	C	C	.	.	H	α-helix	trans	-67.3	-42	177.9	-172	173	-175.4	168.5	0	111.4	I161 L162 L164 Q320 L321 T323 E325 L330 Y331	I161-K327 VanDerWaalsContact O-CE 3.29Å; I161-K327 WeakPolarHBondContact O-CE 3.47Å; L162-K327 PolarHBondContact O-NZ 2.91Å; L164-K327 WeakPolarHBondContact O-CE 3.48Å; L164-K327 PolarHBondContact O-NZ 2.76Å; Q320-K327 WeakPolarHBondContact O-CA 3.37Å; Q320-K327 PolarHBondContact O-N 2.89Å; L321-K327 HydrophobicContact CD2-CG 4.47Å; T323-K327 WeakPolarHBondContact O-CB 3.42Å; T323-K327 PolarHBondContact O-N 3.09Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 2.94Å; K327-L330 PolarHBondContact O-N 2.93Å; K327-Y331 WeakPolarHBondContact O-CB 3.45Å; K327-Y331 PolarHBondContact O-N 3.02Å
328	S	90.2	Very high	91	Very high	43 Å²	43	38.4 Å²	38.4	30%	0.301	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-43.7	172.3	-172.3	0	0	0	0	111.4	D324 E325 L330 Y331 N332	D324-S328 VanDerWaalsContact O-CB 3.29Å; D324-S328 WeakPolarHBondContact O-CB 3.48Å; D324-S328 PolarHBondContact O-N 3.07Å; E325-S328 PolarHBondContact O-N 3.11Å; S328-L330 VanDerWaalsContact C-N 3.34Å; S328-L330 PolarHBondContact O-N 3.45Å; S328-Y331 PolarHBondContact O-N 3.39Å; S328-N332 WeakPolarHBondContact O-CB 3.14Å; S328-N332 PolarHBondContact O-N 3.32Å; S328-N332 PolarHBondContact O-ND2 3.15Å
329	A	92.4	Very high	90.6	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.041	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-43	175	0	0	0	0	0	112.3	G240 A241 L244 E325 N326 L333	G240-A329 VanDerWaalsContact C-CB 3.47Å; G240-A329 WeakPolarHBondContact O-CB 3.49Å; A241-A329 WeakPolarHBondContact CB-O 3.47Å; L244-A329 HydrophobicContact CB-CB 4.38Å; L244-A329 HydrophobicContact CD2-CB 4.14Å; E325-A329 WeakPolarHBondContact O-CB 3.18Å; E325-A329 PolarHBondContact O-N 3.47Å; N326-A329 WeakPolarHBondContact O-CB 3.46Å; N326-A329 PolarHBondContact O-N 2.92Å; A329-L333 WeakPolarHBondContact O-CB 3.39Å; A329-L333 PolarHBondContact O-N 3.27Å
330	L	92.4	Very high	90.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-45.1	177.7	-176.4	66.8	0	0	0	112.2	L166 I169 Y170 L244 Q320 L321 N326 K327 S328 L333 A334	L166-L330 HydrophobicContact CD1-CD2 3.6Å; I169-L330 HydrophobicContact CD1-CD2 4.12Å; I169-L330 HydrophobicContact CG2-CG 4.39Å; Y170-L330 HydrophobicContact CE1-CD1 4.4Å; Y170-L330 WeakPolarHBondContact OH-CD1 3.37Å; L244-L330 VanDerWaalsContact CD2-CA 3.5Å; L244-L330 HydrophobicContact CD2-CB 3.79Å; L244-L330 HydrophobicContact CD2-CD1 3.92Å; L244-L330 HydrophobicContact CD2-CG 4.49Å; Q320-L330 HydrophobicContact CB-CD2 4.26Å; L321-L330 HydrophobicContact CD2-CD2 3.93Å; N326-L330 WeakPolarHBondContact O-CB 3.43Å; N326-L330 PolarHBondContact O-N 3.2Å; K327-L330 PolarHBondContact O-N 2.93Å; S328-L330 VanDerWaalsContact C-N 3.34Å; S328-L330 PolarHBondContact O-N 3.45Å; L330-L333 PolarHBondContact O-N 3Å; L330-A334 PolarHBondContact O-N 3.12Å
331	Y	92.4	Very high	89.7	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-48.5	175.8	177.3	-87.7	0	0	0	111.3	F138 W141 I161 L164 I169 K327 S328 L333 A334 V335	F138-Y331 HydrophobicContact CB-CE2 4.38Å; F138-Y331 WeakPolarHBondContact CB-OH 3.38Å; F138-Y331 HydrophobicContact CD1-CE2 4.09Å; F138-Y331 PolarHBondContact O-OH 3.16Å; W141-Y331 AromaticContact CD1-CE1 3.45Å; W141-Y331 VanDerWaalsContact CD1-CE1 3.45Å; W141-Y331 HydrophobicContact CG-CE1 4.21Å; W141-Y331 AromaticContact NE1-CE1 3.8Å; I161-Y331 HydrophobicContact CD1-CD1 4.05Å; I161-Y331 HydrophobicContact CD1-CE1 4.07Å; I161-Y331 HydrophobicContact CG1-CD1 4.44Å; I161-Y331 HydrophobicContact CG1-CE1 4.37Å; I161-Y331 HydrophobicContact CG2-CD1 4.49Å; I161-Y331 HydrophobicContact CG2-CD2 4.41Å; I161-Y331 HydrophobicContact CG2-CG 4.08Å; L164-Y331 HydrophobicContact CD1-CD2 3.53Å; L164-Y331 HydrophobicContact CD1-CE2 3.42Å; L164-Y331 VanDerWaalsContact CD1-CE2 3.42Å; I169-Y331 HydrophobicContact CG1-CD2 4.32Å; K327-Y331 WeakPolarHBondContact O-CB 3.45Å; K327-Y331 PolarHBondContact O-N 3.02Å; S328-Y331 PolarHBondContact O-N 3.39Å; Y331-L333 VanDerWaalsContact C-N 3.31Å; Y331-L333 PolarHBondContact O-N 2.98Å; Y331-A334 WeakPolarHBondContact O-CB 3.41Å; Y331-A334 PolarHBondContact O-N 3.38Å; Y331-A334 VanDerWaalsContact O-N 3.13Å; Y331-V335 HydrophobicContact CD1-CG2 4.19Å; Y331-V335 HydrophobicContact CE1-CG2 3.77Å; Y331-V335 WeakPolarHBondContact O-CG2 3.45Å; Y331-V335 PolarHBondContact O-N 2.9Å
332	N	92.1	Very high	89.1	Confident	6 Å²	6	30 Å²	30	3%	0.032	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-41.9	177.3	-70.7	-22.5	0	0	0	111.4	W141 L238 A241 S328 A334 V335 L336	W141-N332 PolarHBondContact NE1-OD1 3.26Å; L238-N332 HydrophobicContact CD2-CB 3.96Å; A241-N332 HydrophobicContact CB-CB 3.92Å; S328-N332 WeakPolarHBondContact O-CB 3.14Å; S328-N332 PolarHBondContact O-N 3.32Å; S328-N332 PolarHBondContact O-ND2 3.15Å; N332-A334 PolarHBondContact O-N 3.32Å; N332-V335 PolarHBondContact O-N 2.76Å; N332-L336 VanDerWaalsContact O-CG 3.31Å; N332-L336 WeakPolarHBondContact O-CG 3.41Å; N332-L336 PolarHBondContact O-N 2.92Å
333	L	92.1	Very high	88.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-40.6	175.6	-178	59	0	0	0	112.1	L221 A241 L244 F245 L248 A329 L330 Y331 L336 N337	L221-L333 HydrophobicContact CD1-CD1 3.89Å; L221-L333 HydrophobicContact CD2-CD1 4.4Å; A241-L333 HydrophobicContact CB-CB 4.2Å; L244-L333 HydrophobicContact CD2-CD2 4.42Å; L244-L333 HydrophobicContact CG-CD2 4.27Å; F245-L333 HydrophobicContact CB-CD1 4.03Å; F245-L333 HydrophobicContact CB-CD2 4.2Å; F245-L333 HydrophobicContact CD2-CD1 4.11Å; L248-L333 HydrophobicContact CD1-CD2 3.53Å; A329-L333 WeakPolarHBondContact O-CB 3.39Å; A329-L333 PolarHBondContact O-N 3.27Å; L330-L333 PolarHBondContact O-N 3Å; Y331-L333 VanDerWaalsContact C-N 3.31Å; Y331-L333 PolarHBondContact O-N 2.98Å; L333-L336 PolarHBondContact O-N 2.87Å; L333-N337 WeakPolarHBondContact O-CB 3.22Å; L333-N337 VanDerWaalsContact O-CG 3.26Å; L333-N337 PolarHBondContact O-N 3.45Å; L333-N337 PolarHBondContact O-ND2 2.75Å
334	A	92.5	Very high	87.3	Confident	1 Å²	1	25 Å²	25	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-41.5	176.2	0	0	0	0	0	112.1	F138 I169 Y170 L173 L330 Y331 N332 N337 F338	F138-A334 HydrophobicContact CE1-CB 4.28Å; I169-A334 HydrophobicContact CG2-CB 3.56Å; Y170-A334 HydrophobicContact CD1-CB 4.29Å; Y170-A334 HydrophobicContact CE1-CB 4.28Å; L173-A334 HydrophobicContact CD1-CB 4.11Å; L330-A334 PolarHBondContact O-N 3.12Å; Y331-A334 WeakPolarHBondContact O-CB 3.41Å; Y331-A334 PolarHBondContact O-N 3.38Å; Y331-A334 VanDerWaalsContact O-N 3.13Å; N332-A334 PolarHBondContact O-N 3.32Å; A334-N337 PolarHBondContact O-N 3.09Å; A334-F338 WeakPolarHBondContact O-CB 3.3Å; A334-F338 PolarHBondContact O-N 3.06Å
335	V	91.4	Very high	86.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-47.1	174	174.7	0	0	0	0	110.8	I134 F138 W141 Y331 N332 N337 F338 V339	I134-V335 HydrophobicContact CD1-CG1 4.26Å; I134-V335 HydrophobicContact CG1-CG1 4.36Å; I134-V335 HydrophobicContact CG2-CG1 4.13Å; F138-V335 HydrophobicContact CB-CG2 4.43Å; F138-V335 HydrophobicContact CD1-CG2 3.88Å; F138-V335 HydrophobicContact CD2-CG2 4.1Å; F138-V335 HydrophobicContact CE1-CG2 4.08Å; F138-V335 HydrophobicContact CE2-CG2 4.3Å; F138-V335 HydrophobicContact CG-CG2 3.89Å; F138-V335 HydrophobicContact CZ-CG2 4.29Å; W141-V335 HydrophobicContact CD2-CG1 4Å; W141-V335 HydrophobicContact CE3-CG1 3.87Å; W141-V335 HydrophobicContact CH2-CG1 4.13Å; W141-V335 HydrophobicContact CZ2-CB 4.45Å; W141-V335 HydrophobicContact CZ2-CG1 4.13Å; W141-V335 HydrophobicContact CZ3-CG1 4.02Å; Y331-V335 HydrophobicContact CD1-CG2 4.19Å; Y331-V335 HydrophobicContact CE1-CG2 3.77Å; Y331-V335 WeakPolarHBondContact O-CG2 3.45Å; Y331-V335 PolarHBondContact O-N 2.9Å; N332-V335 PolarHBondContact O-N 2.76Å; V335-N337 VanDerWaalsContact C-N 3.34Å; V335-N337 PolarHBondContact O-N 3.44Å; V335-F338 WeakPolarHBondContact O-CB 3.34Å; V335-F338 PolarHBondContact O-N 3.43Å; V335-F338 VanDerWaalsContact O-N 3.16Å; V335-V339 HydrophobicContact CG1-CG2 4.46Å; V335-V339 WeakPolarHBondContact O-CG2 3.36Å; V335-V339 PolarHBondContact O-N 2.68Å
336	L	90.5	Very high	84.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-41	178	-69.4	176.1	0	0	0	112.1	L221 A225 L238 N332 L333 F338 V339 A340	L221-L336 HydrophobicContact CD2-CB 3.77Å; A225-L336 HydrophobicContact CB-CD2 3.85Å; L238-L336 HydrophobicContact CD1-CD1 4.21Å; L238-L336 HydrophobicContact CD1-CD2 4.21Å; L238-L336 HydrophobicContact CD2-CD1 4.17Å; N332-L336 VanDerWaalsContact O-CG 3.31Å; N332-L336 WeakPolarHBondContact O-CG 3.41Å; N332-L336 PolarHBondContact O-N 2.92Å; L333-L336 PolarHBondContact O-N 2.87Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 PolarHBondContact O-N 3.41Å; L336-V339 PolarHBondContact O-N 2.79Å; L336-A340 VanDerWaalsContact O-CB 3.26Å; L336-A340 WeakPolarHBondContact O-CB 3.14Å; L336-A340 PolarHBondContact O-N 2.73Å
337	N	88.7	Confident	83.2	Confident	7 Å²	7	22 Å²	22	4%	0.037	11%	0.107	C	C	.	.	H	α-helix	trans	-62.4	-40.9	174.1	-75.5	-25	0	0	0	111.7	L173 P181 L221 L333 A334 V335 A340 E341	L173-N337 HydrophobicContact CD1-CB 4.26Å; L173-N337 HydrophobicContact CD2-CB 4.15Å; P181-N337 WeakPolarHBondContact CG-ND2 3.35Å; L221-N337 WeakPolarHBondContact CD2-OD1 3.44Å; L333-N337 WeakPolarHBondContact O-CB 3.22Å; L333-N337 VanDerWaalsContact O-CG 3.26Å; L333-N337 PolarHBondContact O-N 3.45Å; L333-N337 PolarHBondContact O-ND2 2.75Å; A334-N337 PolarHBondContact O-N 3.09Å; V335-N337 VanDerWaalsContact C-N 3.34Å; V335-N337 PolarHBondContact O-N 3.44Å; N337-A340 PolarHBondContact O-N 2.81Å; N337-E341 PolarHBondContact O-N 2.91Å
338	F	87.5	Confident	81.4	Confident	8 Å²	8	25.8 Å²	25.8	4%	0.035	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-45.5	177.5	173.7	-95.3	0	0	0	111.2	L133 I134 A137 F138 L173 T176 A334 V335 L336 E341 Q342	L133-F338 HydrophobicContact CB-CE1 4.17Å; L133-F338 HydrophobicContact CB-CZ 4.4Å; I134-F338 HydrophobicContact CG1-CD1 4.46Å; A137-F338 HydrophobicContact CB-CE1 4.4Å; A137-F338 HydrophobicContact CB-CE2 4.33Å; A137-F338 HydrophobicContact CB-CZ 4.03Å; F138-F338 HydrophobicContact CE2-CB 3.65Å; F138-F338 AromaticContact CE2-CD1 3.85Å; F138-F338 HydrophobicContact CE2-CD1 3.85Å; F138-F338 HydrophobicContact CE2-CD2 4.05Å; F138-F338 AromaticContact CE2-CG 3.59Å; F138-F338 HydrophobicContact CE2-CG 3.59Å; F138-F338 HydrophobicContact CZ-CB 3.85Å; F138-F338 HydrophobicContact CZ-CG 4.2Å; L173-F338 HydrophobicContact CD2-CB 3.81Å; T176-F338 HydrophobicContact CG2-CE2 4.08Å; A334-F338 WeakPolarHBondContact O-CB 3.3Å; A334-F338 PolarHBondContact O-N 3.06Å; V335-F338 WeakPolarHBondContact O-CB 3.34Å; V335-F338 PolarHBondContact O-N 3.43Å; V335-F338 VanDerWaalsContact O-N 3.16Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 PolarHBondContact O-N 3.41Å; F338-E341 PolarHBondContact O-N 3.14Å; F338-Q342 HydrophobicContact CD1-CG 4.26Å; F338-Q342 HydrophobicContact CE1-CG 3.89Å; F338-Q342 HydrophobicContact CZ-CG 4.05Å; F338-Q342 WeakPolarHBondContact O-CG 3.38Å; F338-Q342 PolarHBondContact O-N 3.38Å; F338-Q342 PolarHBondContact O-NE2 3.35Å
339	V	86.8	Confident	79.4	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-42.3	177.2	175.1	0	0	0	0	110.8	I134 L228 V335 L336 E341 Q342 N343	I134-V339 HydrophobicContact CD1-CG2 3.58Å; I134-V339 HydrophobicContact CG1-CG2 3.88Å; L228-V339 HydrophobicContact CD1-CG1 4.4Å; L228-V339 HydrophobicContact CD1-CG2 4.09Å; L228-V339 HydrophobicContact CD2-CG1 4.29Å; L228-V339 HydrophobicContact CD2-CG2 4.36Å; L228-V339 HydrophobicContact CG-CG1 4.35Å; V335-V339 HydrophobicContact CG1-CG2 4.46Å; V335-V339 WeakPolarHBondContact O-CG2 3.36Å; V335-V339 PolarHBondContact O-N 2.68Å; L336-V339 PolarHBondContact O-N 2.79Å; V339-E341 VanDerWaalsContact C-N 3.28Å; V339-E341 PolarHBondContact O-N 3.27Å; V339-Q342 PolarHBondContact O-N 3.25Å; V339-Q342 VanDerWaalsContact O-N 3.17Å; V339-N343 WeakPolarHBondContact CG1-ND2 3.47Å; V339-N343 VanDerWaalsContact O-CB 3.27Å; V339-N343 WeakPolarHBondContact O-CB 3.34Å; V339-N343 PolarHBondContact O-N 2.82Å
340	A	84.3	Confident	77.4	Confident	8 Å²	8	30.2 Å²	30.2	7%	0.066	14%	0.136	C	C	.	.	H	α-helix	trans	-55.7	-43.5	174	0	0	0	0	0	111.4	V220 S224 L336 N337 R344	V220-A340 HydrophobicContact CG1-CB 3.73Å; S224-A340 WeakPolarHBondContact OG-CA 3.33Å; S224-A340 WeakPolarHBondContact OG-CB 3.43Å; S224-A340 PolarHBondContact OG-N 2.77Å; L336-A340 VanDerWaalsContact O-CB 3.26Å; L336-A340 WeakPolarHBondContact O-CB 3.14Å; L336-A340 PolarHBondContact O-N 2.73Å; N337-A340 PolarHBondContact O-N 2.81Å; A340-R344 WeakPolarHBondContact O-CB 3.16Å; A340-R344 PolarHBondContact O-N 2.87Å
341	E	79.7	Confident	75.3	Confident	7 Å²	7	35 Å²	35	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-71.8	-33.4	178	-75.9	-61.9	141.1	0	0	113.5	T177 Y179 S203 N337 F338 V339 R344 R345	T177-E341 HydrophobicContact CG2-CB 4.17Å; T177-E341 HydrophobicContact CG2-CG 4.25Å; Y179-E341 VanDerWaalsContact OH-CG 3.24Å; Y179-E341 WeakPolarHBondContact OH-CG 2.85Å; Y179-E341 PolarHBondContact OH-OE1 3.14Å; Y179-E341 PolarHBondContact OH-OE2 3.32Å; S203-E341 PolarHBondContact N-OE1 2.95Å; S203-E341 PolarHBondContact OG-OE1 3.46Å; S203-E341 PolarHBondContact OG-OE2 3.25Å; N337-E341 PolarHBondContact O-N 2.91Å; F338-E341 PolarHBondContact O-N 3.14Å; V339-E341 VanDerWaalsContact C-N 3.28Å; V339-E341 PolarHBondContact O-N 3.27Å; E341-R344 IonicContact OE1-NE 2.69Å; E341-R344 IonicContact OE2-CZ 3.7Å; E341-R344 IonicContact OE2-NE 3.28Å; E341-R344 PolarHBondContact OE2-NE 2.76Å; E341-R344 IonicContact OE2-NH2 3.15Å; E341-R344 PolarHBondContact OE2-NH2 2.9Å; E341-R345 VanDerWaalsContact O-CG 3.26Å; E341-R345 WeakPolarHBondContact O-CG 3.33Å; E341-R345 PolarHBondContact O-N 2.77Å
342	Q	77.3	Confident	73.2	Confident	25 Å²	25	40.6 Å²	40.6	12%	0.117	18%	0.182	C	C	.	.	H	α-helix	trans	-68.6	-48.8	171.2	-58.1	-31.5	-55.3	0	0	111.3	L130 L133 F338 V339 R344 R345 L346	L130-Q342 HydrophobicContact CD2-CB 3.82Å; L133-Q342 HydrophobicContact CD1-CG 4.49Å; F338-Q342 HydrophobicContact CD1-CG 4.26Å; F338-Q342 HydrophobicContact CE1-CG 3.89Å; F338-Q342 HydrophobicContact CZ-CG 4.05Å; F338-Q342 WeakPolarHBondContact O-CG 3.38Å; F338-Q342 PolarHBondContact O-N 3.38Å; F338-Q342 PolarHBondContact O-NE2 3.35Å; V339-Q342 PolarHBondContact O-N 3.25Å; V339-Q342 VanDerWaalsContact O-N 3.17Å; Q342-R344 VanDerWaalsContact C-N 3.3Å; Q342-R344 PolarHBondContact O-N 2.73Å; Q342-R345 WeakPolarHBondContact O-CB 3.21Å; Q342-R345 PolarHBondContact O-N 3.08Å; Q342-R345 VanDerWaalsContact O-N 3.1Å; Q342-L346 WeakPolarHBondContact O-CG 3.5Å; Q342-L346 PolarHBondContact O-N 2.98Å
343	N	73.7	Confident	71.2	Confident	25 Å²	25	41.3 Å²	41.3	13%	0.134	19%	0.186	C	C	.	.	H	α-helix	trans	-59	-41.7	176.4	-80.8	-18.3	0	0	0	111.4	L130 S227 V339 R345 L346 L347	L130-N343 VanDerWaalsContact CD1-OD1 3.31Å; L130-N343 WeakPolarHBondContact CD1-OD1 3.16Å; S227-N343 WeakPolarHBondContact CB-ND2 3.5Å; S227-N343 PolarHBondContact OG-ND2 3.36Å; V339-N343 WeakPolarHBondContact CG1-ND2 3.47Å; V339-N343 VanDerWaalsContact O-CB 3.27Å; V339-N343 WeakPolarHBondContact O-CB 3.34Å; V339-N343 PolarHBondContact O-N 2.82Å; N343-R345 VanDerWaalsContact C-N 3.33Å; N343-R345 PolarHBondContact O-N 3.49Å; N343-L346 CarbonylContact O-C 3.58Å; N343-L346 WeakPolarHBondContact O-CA 3.31Å; N343-L346 WeakPolarHBondContact O-CB 3.42Å; N343-L346 PolarHBondContact O-N 3.19Å; N343-L347 VanDerWaalsContact O-CB 3.25Å; N343-L347 WeakPolarHBondContact O-CB 3.35Å; N343-L347 PolarHBondContact O-N 3.15Å
344	R	69.2	Low	69.3	Low	71 Å²	71	48.8 Å²	48.8	27%	0.268	22%	0.219	S	C	.	.	H	α-helix	trans	-60.4	-44.9	175.9	-172.9	-168	67.1	83.2	-3.7	110.6	S203 A340 E341 Q342 L346 L347 Y348	S203-R344 PolarHBondContact OG-NE 3.46Å; S203-R344 PolarHBondContact OG-NH2 2.91Å; A340-R344 WeakPolarHBondContact O-CB 3.16Å; A340-R344 PolarHBondContact O-N 2.87Å; E341-R344 IonicContact OE1-NE 2.69Å; E341-R344 IonicContact OE2-CZ 3.7Å; E341-R344 IonicContact OE2-NE 3.28Å; E341-R344 PolarHBondContact OE2-NE 2.76Å; E341-R344 IonicContact OE2-NH2 3.15Å; E341-R344 PolarHBondContact OE2-NH2 2.9Å; Q342-R344 VanDerWaalsContact C-N 3.3Å; Q342-R344 PolarHBondContact O-N 2.73Å; R344-L346 PolarHBondContact O-N 3.5Å; R344-L347 PolarHBondContact O-N 2.82Å; R344-Y348 HydrophobicContact CG-CD2 3.59Å; R344-Y348 HydrophobicContact CG-CE2 3.43Å; R344-Y348 VanDerWaalsContact CG-CE2 3.43Å; R344-Y348 WeakPolarHBondContact O-CB 3.43Å; R344-Y348 WeakPolarHBondContact O-CD2 2.99Å; R344-Y348 PolarHBondContact O-N 3.16Å
345	R	64.4	Low	67.2	Low	96 Å²	96	52.7 Å²	52.7	36%	0.362	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-29.6	175	-70.7	169.1	179.8	-171	0.7	112.5	T176 E341 Q342 N343 Q349	T176-R345 PolarHBondContact O-NH2 2.78Å; E341-R345 VanDerWaalsContact O-CG 3.26Å; E341-R345 WeakPolarHBondContact O-CG 3.33Å; E341-R345 PolarHBondContact O-N 2.77Å; Q342-R345 WeakPolarHBondContact O-CB 3.21Å; Q342-R345 PolarHBondContact O-N 3.08Å; Q342-R345 VanDerWaalsContact O-N 3.1Å; N343-R345 VanDerWaalsContact C-N 3.33Å; N343-R345 PolarHBondContact O-N 3.49Å; R345-Q349 VanDerWaalsContact O-CD 3.3Å; R345-Q349 VanDerWaalsContact O-CG 3.31Å; R345-Q349 WeakPolarHBondContact O-CG 3.47Å; R345-Q349 PolarHBondContact O-NE2 3.21Å
346	L	63.3	Low	65.2	Low	46 Å²	46	56.2 Å²	56.2	24%	0.241	26%	0.261	C	S	.	.	H	α-helix	trans	-83.9	-45.9	175.8	-64.1	169.6	0	0	0	112.9	V126 L130 Q342 N343 R344 Y348 Q349 E350	V126-L346 HydrophobicContact CG1-CD1 4.1Å; L130-L346 HydrophobicContact CD2-CD1 4.33Å; Q342-L346 WeakPolarHBondContact O-CG 3.5Å; Q342-L346 PolarHBondContact O-N 2.98Å; N343-L346 CarbonylContact O-C 3.58Å; N343-L346 WeakPolarHBondContact O-CA 3.31Å; N343-L346 WeakPolarHBondContact O-CB 3.42Å; N343-L346 PolarHBondContact O-N 3.19Å; R344-L346 PolarHBondContact O-N 3.5Å; L346-Y348 PolarHBondContact O-N 2.94Å; L346-Q349 CarbonylContact O-C 3.59Å; L346-Q349 VanDerWaalsContact O-CA 3.26Å; L346-Q349 WeakPolarHBondContact O-CA 3.3Å; L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 3.32Å; L346-E350 PolarHBondContact O-N 3.32Å
347	L	56.2	Low	63.2	Low	85 Å²	85	59.7 Å²	59.7	45%	0.445	28%	0.276	S	S	.	.	H	α-helix	trans	-66.7	-35.5	179	-175.6	66.9	0	0	0	112	N343 R344 Q349 E350 I351	N343-L347 VanDerWaalsContact O-CB 3.25Å; N343-L347 WeakPolarHBondContact O-CB 3.35Å; N343-L347 PolarHBondContact O-N 3.15Å; R344-L347 PolarHBondContact O-N 2.82Å; L347-Q349 PolarHBondContact O-N 3.28Å; L347-E350 PolarHBondContact O-N 2.81Å; L347-E350 VanDerWaalsContact O-N 3.16Å; L347-I351 HydrophobicContact CD1-CD1 3.99Å; L347-I351 HydrophobicContact CD1-CG1 3.94Å; L347-I351 HydrophobicContact CD2-CD1 4.15Å; L347-I351 HydrophobicContact CG-CD1 3.73Å; L347-I351 HydrophobicContact CG-CG1 4.09Å; L347-I351 WeakPolarHBondContact O-CB 3.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.36Å; L347-I351 PolarHBondContact O-N 3.22Å
348	Y	51.4	Low	61.4	Low	102 Å²	102	64.7 Å²	64.7	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-26.8	167.5	-90.3	-67.4	0	0	0	112.1	R344 L346 R352	R344-Y348 HydrophobicContact CG-CD2 3.59Å; R344-Y348 HydrophobicContact CG-CE2 3.43Å; R344-Y348 VanDerWaalsContact CG-CE2 3.43Å; R344-Y348 WeakPolarHBondContact O-CB 3.43Å; R344-Y348 WeakPolarHBondContact O-CD2 2.99Å; R344-Y348 PolarHBondContact O-N 3.16Å; L346-Y348 PolarHBondContact O-N 2.94Å; Y348-R352 WeakPolarHBondContact O-CB 3.33Å
349	Q	49.7	Very low	59.4	Low	40 Å²	40	70.3 Å²	70.3	19%	0.187	34%	0.342	C	S	.	.	H	α-helix	trans	-73.3	-52.8	170.6	-57	161	18	0	0	109.3	R345 L346 L347 R352 D353 Y369	R345-Q349 VanDerWaalsContact O-CD 3.3Å; R345-Q349 VanDerWaalsContact O-CG 3.31Å; R345-Q349 WeakPolarHBondContact O-CG 3.47Å; R345-Q349 PolarHBondContact O-NE2 3.21Å; L346-Q349 CarbonylContact O-C 3.59Å; L346-Q349 VanDerWaalsContact O-CA 3.26Å; L346-Q349 WeakPolarHBondContact O-CA 3.3Å; L346-Q349 WeakPolarHBondContact O-CB 3.46Å; L346-Q349 PolarHBondContact O-N 3.32Å; L347-Q349 PolarHBondContact O-N 3.28Å; Q349-R352 PolarHBondContact O-N 3.1Å; Q349-D353 WeakPolarHBondContact O-CB 3.43Å; Q349-D353 PolarHBondContact O-N 3.06Å; Q349-Y369 HydrophobicContact CB-CE1 4.43Å; Q349-Y369 HydrophobicContact CG-CE1 3.88Å; Q349-Y369 WeakPolarHBondContact CG-OH 3.22Å
350	E	49.1	Very low	57.4	Low	101 Å²	101	74.8 Å²	74.8	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-45.3	-175.2	-67.2	-171	162	0	0	114.6	P119 L346 L347 D353 F354	P119-E350 HydrophobicContact CG-CG 4.31Å; L346-E350 PolarHBondContact O-N 3.32Å; L347-E350 PolarHBondContact O-N 2.81Å; L347-E350 VanDerWaalsContact O-N 3.16Å; E350-D353 PolarHBondContact O-N 3.34Å; E350-F354 WeakPolarHBondContact O-CB 3.21Å; E350-F354 PolarHBondContact O-N 2.97Å
351	I	49.3	Very low	55.5	Low	101 Å²	101	84.3 Å²	84.3	52%	0.518	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-42.9	178.4	-67.1	175.1	0	0	0	110	L347 F354 V355	L347-I351 HydrophobicContact CD1-CD1 3.99Å; L347-I351 HydrophobicContact CD1-CG1 3.94Å; L347-I351 HydrophobicContact CD2-CD1 4.15Å; L347-I351 HydrophobicContact CG-CD1 3.73Å; L347-I351 HydrophobicContact CG-CG1 4.09Å; L347-I351 WeakPolarHBondContact O-CB 3.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.36Å; L347-I351 PolarHBondContact O-N 3.22Å; I351-F354 PolarHBondContact O-N 3.46Å; I351-V355 VanDerWaalsContact O-CG2 3.31Å; I351-V355 WeakPolarHBondContact O-CG2 3.45Å; I351-V355 PolarHBondContact O-N 3.47Å
352	R	48.1	Very low	53.6	Low	123 Å²	123	90.3 Å²	90.3	46%	0.464	44%	0.438	S	S	.	.	H	α-helix	trans	-71.4	-34.7	179.8	-166.3	-179.6	-65.4	-146	0.1	111.4	Y348 Q349 V355 N356	Y348-R352 WeakPolarHBondContact O-CB 3.33Å; Q349-R352 PolarHBondContact O-N 3.1Å; R352-V355 CarbonylContact O-C 3.5Å; R352-V355 WeakPolarHBondContact O-CB 3.4Å; R352-V355 PolarHBondContact O-N 3.49Å; R352-N356 WeakPolarHBondContact O-CB 3.46Å; R352-N356 PolarHBondContact O-N 3.27Å; R352-N356 PolarHBondContact O-ND2 3.41Å; R352-N356 VanDerWaalsContact O-ND2 3.15Å
353	D	49.8	Very low	52	Low	20 Å²	20	93.5 Å²	93.5	11%	0.107	46%	0.463	C	S	.	.	H	α-helix	trans	-73.2	-32.2	174.5	-71.9	-16.6	0	0	0	111.8	Q349 E350 V355 N356 K357	Q349-D353 WeakPolarHBondContact O-CB 3.43Å; Q349-D353 PolarHBondContact O-N 3.06Å; E350-D353 PolarHBondContact O-N 3.34Å; D353-V355 VanDerWaalsContact C-N 3.33Å; D353-N356 CarbonylContact O-C 3.31Å; D353-N356 PolarHBondContact O-N 2.93Å; D353-N356 VanDerWaalsContact O-N 3.16Å; D353-K357 WeakPolarHBondContact O-CA 3.44Å; D353-K357 WeakPolarHBondContact O-CB 3.3Å; D353-K357 WeakPolarHBondContact O-CG 3.45Å; D353-K357 PolarHBondContact O-N 2.97Å
354	F	51.5	Low	51.2	Low	157 Å²	157	98.1 Å²	98.1	69%	0.689	49%	0.492	S	S	*	.	H	α-helix	trans	-61.5	-43.3	167.4	179.8	-96.8	0	0	0	110.9	E350 I351 N356 K357	E350-F354 WeakPolarHBondContact O-CB 3.21Å; E350-F354 PolarHBondContact O-N 2.97Å; I351-F354 PolarHBondContact O-N 3.46Å; F354-N356 VanDerWaalsContact C-N 3.26Å; F354-N356 PolarHBondContact O-N 3.33Å; F354-K357 PolarHBondContact O-N 3.09Å
355	V	49.7	Very low	51.2	Low	84 Å²	84	102.4 Å²	102.4	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-32.2	172.3	172.5	0	0	0	0	111.9	I351 R352 D353	I351-V355 VanDerWaalsContact O-CG2 3.31Å; I351-V355 WeakPolarHBondContact O-CG2 3.45Å; I351-V355 PolarHBondContact O-N 3.47Å; R352-V355 CarbonylContact O-C 3.5Å; R352-V355 WeakPolarHBondContact O-CB 3.4Å; R352-V355 PolarHBondContact O-N 3.49Å; D353-V355 VanDerWaalsContact C-N 3.33Å
356	N	49.1	Very low	52	Low	73 Å²	73	101.4 Å²	101.4	39%	0.39	51%	0.508	S	S	.	.	H	α-helix	trans	-87.5	-21.1	177.6	-65	-30.6	0	0	0	114.1	R352 D353 F354 S358 N359	R352-N356 WeakPolarHBondContact O-CB 3.46Å; R352-N356 PolarHBondContact O-N 3.27Å; R352-N356 PolarHBondContact O-ND2 3.41Å; R352-N356 VanDerWaalsContact O-ND2 3.15Å; D353-N356 CarbonylContact O-C 3.31Å; D353-N356 PolarHBondContact O-N 2.93Å; D353-N356 VanDerWaalsContact O-N 3.16Å; F354-N356 VanDerWaalsContact C-N 3.26Å; F354-N356 PolarHBondContact O-N 3.33Å; N356-S358 PolarHBondContact O-N 2.99Å; N356-N359 PolarHBondContact O-N 3.06Å
357	K	49	Very low	53	Low	74 Å²	74	100.2 Å²	100.2	32%	0.322	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	1.2	-177.8	-92.9	170.4	-179.3	172.6	0	113.7	Y120 D353 F354 N359	Y120-K357 VanDerWaalsContact OH-CE 3.25Å; Y120-K357 WeakPolarHBondContact OH-CE 3.34Å; D353-K357 WeakPolarHBondContact O-CA 3.44Å; D353-K357 WeakPolarHBondContact O-CB 3.3Å; D353-K357 WeakPolarHBondContact O-CG 3.45Å; D353-K357 PolarHBondContact O-N 2.97Å; F354-K357 PolarHBondContact O-N 3.09Å; K357-N359 PolarHBondContact O-N 3.47Å; K357-N359 VanDerWaalsContact O-N 3.08Å
358	S	50.1	Low	54.2	Low	112 Å²	112	100 Å²	100	78%	0.783	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	3	154.4	-51.6	0	0	0	0	113.4	N356	N356-S358 PolarHBondContact O-N 2.99Å
359	N	46.4	Very low	55.5	Low	125 Å²	125	96.5 Å²	96.5	67%	0.668	49%	0.493	S	S	*	.	S	Bend	trans	-122	144.8	164.9	-94.8	-28.4	0	0	0	113.4	N356 K357	N356-N359 PolarHBondContact O-N 3.06Å; K357-N359 PolarHBondContact O-N 3.47Å; K357-N359 VanDerWaalsContact O-N 3.08Å
360	P	44	Very low	57.1	Low	95 Å²	95	94.6 Å²	94.6	62%	0.617	48%	0.484	S	S	*	.			trans	-76.3	149.7	-156.2	-10.3	27.2	0	0	0	114.3	N362	P360-N362 PolarHBondContact O-N 2.55Å
361	R	44.3	Very low	59.1	Low	209 Å²	209	89.8 Å²	89.8	79%	0.789	46%	0.462	S	S	*	.	S	Bend	trans	-70.5	28	-175.3	-65.7	-174.3	-172.2	-177.9	2.8	116.6
362	N	40.9	Very low	60.7	Low	133 Å²	133	89.1 Å²	89.1	71%	0.711	46%	0.459	S	S	*	.			trans	-123.8	119.5	177.6	-84.2	-12.4	0	0	0	112	P360 Y365	P360-N362 PolarHBondContact O-N 2.55Å; N362-Y365 WeakPolarHBondContact O-CE2 3.41Å
363	S	43.9	Very low	62.3	Low	92 Å²	92	87.9 Å²	87.9	64%	0.643	46%	0.455	S	S	*	.	S	Bend	trans	61	131.7	157.3	81.6	0	0	0	0	120.1	Y365	S363-Y365 VanDerWaalsContact C-N 3.31Å; S363-Y365 WeakPolarHBondContact O-CD2 3.14Å; S363-Y365 WeakPolarHBondContact O-CE2 3.49Å; S363-Y365 PolarHBondContact O-N 3.15Å
364	T	55.3	Low	64.1	Low	121 Å²	121	86.9 Å²	86.9	74%	0.742	45%	0.449	S	S	*	.			trans	54.2	20.1	147.8	18.6	0	0	0	0	120.2	Y90	Y90-T364 PolarHBondContact OH-O 3Å
365	Y	69.2	Low	65.8	Low	162 Å²	162	80.8 Å²	80.8	64%	0.635	42%	0.423	S	S	*	.			trans	-81.6	138.1	175.8	-75.3	-80.2	0	0	0	112.8	N362 S363 S367	N362-Y365 WeakPolarHBondContact O-CE2 3.41Å; S363-Y365 VanDerWaalsContact C-N 3.31Å; S363-Y365 WeakPolarHBondContact O-CD2 3.14Å; S363-Y365 WeakPolarHBondContact O-CE2 3.49Å; S363-Y365 PolarHBondContact O-N 3.15Å; Y365-S367 PolarHBondContact O-N 3.07Å
366	F	82.4	Confident	67.3	Low	74 Å²	74	81.6 Å²	81.6	33%	0.325	43%	0.428	S	S	.	.			trans	-59.7	126	169.1	171.1	-103	0	0	0	110.2	D86 Y90 P368 M371	D86-F366 HydrophobicContact CB-CE2 4.28Å; D86-F366 HydrophobicContact CB-CZ 3.86Å; Y90-F366 HydrophobicContact CD1-CB 4.48Å; Y90-F366 HydrophobicContact CD1-CD2 4.39Å; Y90-F366 HydrophobicContact CD2-CB 4.38Å; Y90-F366 AromaticContact CD2-CD2 3.78Å; Y90-F366 HydrophobicContact CD2-CD2 3.78Å; Y90-F366 HydrophobicContact CE2-CB 4.43Å; Y90-F366 HydrophobicContact CG-CB 4.4Å; Y90-F366 AromaticContact CG-CD2 3.66Å; Y90-F366 HydrophobicContact CG-CD2 3.66Å; Y90-F366 HydrophobicContact CG-CE2 4.49Å; Y90-F366 HydrophobicContact CG-CG 4.5Å; F366-P368 HydrophobicContact CD1-CG 4.08Å; F366-P368 HydrophobicContact CE1-CB 4.12Å; F366-P368 HydrophobicContact CE1-CG 3.72Å; F366-P368 WeakPolarHBondContact O-CD 2.99Å; F366-M371 HydrophobicContact CD2-CE 4.42Å; F366-M371 HydrophobicContact CE2-CB 3.8Å; F366-M371 HydrophobicContact CE2-CE 3.82Å; F366-M371 HydrophobicContact CE2-CG 3.87Å; F366-M371 HydrophobicContact CZ-CB 3.95Å; F366-M371 HydrophobicContact CZ-CG 4.1Å
367	S	82.6	Confident	68.8	Low	21 Å²	21	81.2 Å²	81.2	15%	0.147	43%	0.428	C	S	.	.			trans	-106.4	107.4	175.4	171.4	0	0	0	0	109.8	Y112 Y365 Y369 C370 M371	Y112-S367 PolarHBondContact OH-N 3Å; Y365-S367 PolarHBondContact O-N 3.07Å; S367-Y369 PolarHBondContact O-N 3.25Å; S367-C370 PolarHBondContact O-N 3.39Å; S367-C370 PolarHBondContact OG-N 3.48Å; S367-M371 WeakPolarHBondContact O-CB 3.05Å; S367-M371 PolarHBondContact O-N 2.86Å
368	P	83.4	Confident	70.7	Confident	80 Å²	80	79.4 Å²	79.4	52%	0.519	42%	0.42	S	S	.	.	H	α-helix	trans	-57.7	-33.7	176.3	-21.8	29.5	0	0	0	112.8	F366 N372	F366-P368 HydrophobicContact CD1-CG 4.08Å; F366-P368 HydrophobicContact CE1-CB 4.12Å; F366-P368 HydrophobicContact CE1-CG 3.72Å; F366-P368 WeakPolarHBondContact O-CD 2.99Å; P368-N372 PolarHBondContact O-N 3.13Å
369	Y	77.8	Confident	72.4	Confident	29 Å²	29	75 Å²	75	11%	0.114	39%	0.389	C	S	.	.	H	α-helix	trans	-64.2	-55.3	176	170.3	-103	0	0	0	111.2	Q349 S367 M371 N372 R373	Q349-Y369 HydrophobicContact CB-CE1 4.43Å; Q349-Y369 HydrophobicContact CG-CE1 3.88Å; Q349-Y369 WeakPolarHBondContact CG-OH 3.22Å; S367-Y369 PolarHBondContact O-N 3.25Å; Y369-M371 PolarHBondContact O-N 3.19Å; Y369-N372 PolarHBondContact O-N 3.48Å; Y369-N372 VanDerWaalsContact O-N 3.17Å; Y369-R373 HydrophobicContact CE1-CG 3.98Å; Y369-R373 HydrophobicContact CE2-CG 3.99Å; Y369-R373 WeakPolarHBondContact O-CG 3.47Å; Y369-R373 PolarHBondContact O-N 3.08Å
370	C	83.9	Confident	74.4	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.007	38%	0.379	C	S	.	.	H	α-helix	trans	-63.7	-33.6	179.8	-69.4	0	0	0	0	111.8	Y112 C115 I116 S367 R373 V374	Y112-C370 HydrophobicContact CD2-CB 3.73Å; Y112-C370 HydrophobicContact CE2-CB 3.57Å; C115-C370 HydrophobicContact CB-CB 3.78Å; C115-C370 WeakPolarHBondContact CB-SG 3.46Å; C115-C370 WeakPolarHBondContact SG-CA 3.3Å; C115-C370 WeakPolarHBondContact SG-CB 3.42Å; C115-C370 CovalentContact SG-SG 2.05Å; C115-C370 PolarHBondContact SG-SG 3.49Å; I116-C370 HydrophobicContact CG1-CB 4.42Å; S367-C370 PolarHBondContact O-N 3.39Å; S367-C370 PolarHBondContact OG-N 3.48Å; C370-R373 PolarHBondContact O-N 3.21Å; C370-V374 WeakPolarHBondContact O-CB 3.3Å; C370-V374 WeakPolarHBondContact O-CG2 3.49Å; C370-V374 PolarHBondContact O-N 2.96Å
371	M	89.4	Confident	76.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-44.9	174.1	-174.2	53.2	69.2	0	0	111.8	D86 F89 I93 Y112 F366 S367 Y369 R373 V374 K375	D86-M371 HydrophobicContact CB-CG 4.09Å; F89-M371 HydrophobicContact CB-CE 3.87Å; F89-M371 HydrophobicContact CB-SD 3.67Å; F89-M371 HydrophobicContact CD2-SD 4.44Å; I93-M371 HydrophobicContact CD1-CE 4.16Å; Y112-M371 HydrophobicContact CE2-CB 4.49Å; Y112-M371 HydrophobicContact CE2-CE 4.26Å; F366-M371 HydrophobicContact CD2-CE 4.42Å; F366-M371 HydrophobicContact CE2-CB 3.8Å; F366-M371 HydrophobicContact CE2-CE 3.82Å; F366-M371 HydrophobicContact CE2-CG 3.87Å; F366-M371 HydrophobicContact CZ-CB 3.95Å; F366-M371 HydrophobicContact CZ-CG 4.1Å; S367-M371 WeakPolarHBondContact O-CB 3.05Å; S367-M371 PolarHBondContact O-N 2.86Å; Y369-M371 PolarHBondContact O-N 3.19Å; M371-R373 VanDerWaalsContact C-N 3.3Å; M371-R373 PolarHBondContact O-N 3.44Å; M371-V374 WeakPolarHBondContact O-CB 3.09Å; M371-V374 PolarHBondContact O-N 3.17Å; M371-V374 HydrophobicContact SD-CG1 4.46Å; M371-K375 WeakPolarHBondContact O-CG 3.48Å; M371-K375 PolarHBondContact O-N 3.01Å
372	N	83.5	Confident	79	Confident	87 Å²	87	61.2 Å²	61.2	47%	0.465	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-37.6	174.3	-98.2	7.5	0	0	0	112.5	P368 Y369 K375 T376	P368-N372 PolarHBondContact O-N 3.13Å; Y369-N372 PolarHBondContact O-N 3.48Å; Y369-N372 VanDerWaalsContact O-N 3.17Å; N372-K375 PolarHBondContact O-N 3.39Å; N372-K375 WeakPolarHBondContact OD1-CE 3.21Å; N372-K375 PolarHBondContact OD1-NZ 3.2Å; N372-T376 PolarHBondContact O-N 3.21Å; N372-T376 PolarHBondContact O-OG1 3.44Å
373	R	81.2	Confident	81.5	Confident	96 Å²	96	56.3 Å²	56.3	36%	0.362	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-45.6	173.4	-66.5	-61.8	-61.5	172.6	-0.2	111.4	F111 Y369 C370 M371 K375 T376 V377	F111-R373 HydrophobicContact CE1-CB 4.03Å; F111-R373 HydrophobicContact CZ-CB 4.39Å; Y369-R373 HydrophobicContact CE1-CG 3.98Å; Y369-R373 HydrophobicContact CE2-CG 3.99Å; Y369-R373 WeakPolarHBondContact O-CG 3.47Å; Y369-R373 PolarHBondContact O-N 3.08Å; C370-R373 PolarHBondContact O-N 3.21Å; M371-R373 VanDerWaalsContact C-N 3.3Å; M371-R373 PolarHBondContact O-N 3.44Å; R373-K375 PolarHBondContact O-N 2.85Å; R373-T376 WeakPolarHBondContact O-CB 3.16Å; R373-T376 PolarHBondContact O-N 3.26Å; R373-T376 VanDerWaalsContact O-N 3.16Å; R373-V377 WeakPolarHBondContact O-CG2 3.44Å; R373-V377 PolarHBondContact O-N 3.16Å
374	V	87.4	Confident	83.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.6	-46.7	175.3	162.4	0	0	0	0	111.5	I93 T108 F111 Y112 C370 M371 T376 V377 F378 L382	I93-V374 HydrophobicContact CD1-CG1 3.81Å; T108-V374 HydrophobicContact CG2-CG1 3.56Å; F111-V374 HydrophobicContact CD1-CG2 3.71Å; F111-V374 HydrophobicContact CE1-CG2 4.11Å; Y112-V374 HydrophobicContact CD2-CG2 3.74Å; Y112-V374 HydrophobicContact CG-CG2 4.23Å; C370-V374 WeakPolarHBondContact O-CB 3.3Å; C370-V374 WeakPolarHBondContact O-CG2 3.49Å; C370-V374 PolarHBondContact O-N 2.96Å; M371-V374 WeakPolarHBondContact O-CB 3.09Å; M371-V374 PolarHBondContact O-N 3.17Å; M371-V374 HydrophobicContact SD-CG1 4.46Å; V374-T376 VanDerWaalsContact C-N 3.25Å; V374-T376 PolarHBondContact O-N 2.68Å; V374-V377 PolarHBondContact O-N 3.02Å; V374-F378 WeakPolarHBondContact O-CA 3.08Å; V374-F378 PolarHBondContact O-N 3.3Å; V374-L382 HydrophobicContact CG1-CD1 3.8Å; V374-L382 HydrophobicContact CG1-CD2 4.19Å; V374-L382 HydrophobicContact CG1-CG 4.38Å
375	K	88.6	Confident	85.8	Confident	29 Å²	29	52.1 Å²	52.1	13%	0.126	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-33.5	175.7	-74.6	-174.2	-60.1	-173.1	0	113.4	D86 F89 M371 N372 R373 P379 L382 Y473	D86-K375 VanDerWaalsContact CG-NZ 3.3Å; D86-K375 WeakPolarHBondContact OD1-CD 3.34Å; D86-K375 VanDerWaalsContact OD1-CE 3.26Å; D86-K375 WeakPolarHBondContact OD1-CE 3.48Å; D86-K375 IonicContact OD1-NZ 3.94Å; D86-K375 PolarHBondContact OD1-NZ 3.33Å; D86-K375 IonicContact OD2-NZ 2.91Å; D86-K375 PolarHBondContact OD2-NZ 3.09Å; D86-K375 VanDerWaalsContact OD2-NZ 3.11Å; F89-K375 HydrophobicContact CD2-CD 4.2Å; F89-K375 HydrophobicContact CD2-CG 4.22Å; F89-K375 HydrophobicContact CE2-CD 4.21Å; F89-K375 HydrophobicContact CE2-CG 4.33Å; M371-K375 WeakPolarHBondContact O-CG 3.48Å; M371-K375 PolarHBondContact O-N 3.01Å; N372-K375 PolarHBondContact O-N 3.39Å; N372-K375 WeakPolarHBondContact OD1-CE 3.21Å; N372-K375 PolarHBondContact OD1-NZ 3.2Å; R373-K375 PolarHBondContact O-N 2.85Å; K375-P379 WeakPolarHBondContact O-CA 3.36Å; K375-P379 VanDerWaalsContact O-CB 3.26Å; K375-P379 WeakPolarHBondContact O-CB 3.48Å; K375-P379 WeakPolarHBondContact O-CD 3.46Å; K375-L382 HydrophobicContact CB-CD1 4.27Å; K375-L382 HydrophobicContact CG-CD1 3.66Å; K375-Y473 WeakPolarHBondContact CB-OH 3.42Å; K375-Y473 HydrophobicContact CD-CE2 3.84Å; K375-Y473 HydrophobicContact CG-CE2 4.21Å; K375-Y473 PolarHBondContact O-OH 3.01Å
376	T	80.4	Confident	87.1	Confident	101 Å²	101	44.4 Å²	44.4	62%	0.62	22%	0.22	S	C	*	.	H	α-helix	trans	-73.9	-40.7	177.7	-54.1	0	0	0	0	111.9	N372 R373 V374 P379	N372-T376 PolarHBondContact O-N 3.21Å; N372-T376 PolarHBondContact O-OG1 3.44Å; R373-T376 WeakPolarHBondContact O-CB 3.16Å; R373-T376 PolarHBondContact O-N 3.26Å; R373-T376 VanDerWaalsContact O-N 3.16Å; V374-T376 VanDerWaalsContact C-N 3.25Å; V374-T376 PolarHBondContact O-N 2.68Å; T376-P379 WeakPolarHBondContact O-CD 3.36Å
377	V	82	Confident	87.7	Confident	65 Å²	65	43.2 Å²	43.2	39%	0.394	22%	0.216	S	C	.	.	H	α-helix	trans	-87.6	-35.5	-173.8	179.8	0	0	0	0	112.4	F111 R373 V374 P379	F111-V377 HydrophobicContact CE1-CG2 4.32Å; F111-V377 HydrophobicContact CE2-CG2 4.33Å; F111-V377 HydrophobicContact CZ-CB 4.36Å; F111-V377 HydrophobicContact CZ-CG2 3.81Å; R373-V377 WeakPolarHBondContact O-CG2 3.44Å; R373-V377 PolarHBondContact O-N 3.16Å; V374-V377 PolarHBondContact O-N 3.02Å; V377-P379 WeakPolarHBondContact O-CD 3.39Å
378	F	87.7	Confident	88.2	Confident	35 Å²	35	47.5 Å²	47.5	15%	0.154	24%	0.242	C	C	.	.	S	Bend	trans	-122.8	43.3	-177	-55.2	-81.5	0	0	0	113.4	T107 T108 F111 V374 W380 T381 L382	T107-F378 HydrophobicContact CG2-CE1 4.02Å; T107-F378 HydrophobicContact CG2-CZ 4.1Å; T108-F378 HydrophobicContact CG2-CB 4.08Å; T108-F378 HydrophobicContact CG2-CD2 4.02Å; T108-F378 HydrophobicContact CG2-CG 4.11Å; T108-F378 WeakPolarHBondContact OG1-CD1 3.48Å; T108-F378 WeakPolarHBondContact OG1-CG 3.16Å; F111-F378 HydrophobicContact CB-CE2 3.57Å; F111-F378 HydrophobicContact CB-CZ 4.04Å; F111-F378 HydrophobicContact CD1-CD2 4.39Å; F111-F378 AromaticContact CD1-CE2 3.8Å; F111-F378 HydrophobicContact CD1-CE2 3.8Å; F111-F378 AromaticContact CD2-CE2 3.97Å; F111-F378 HydrophobicContact CD2-CE2 3.97Å; F111-F378 HydrophobicContact CD2-CZ 4.43Å; F111-F378 HydrophobicContact CE1-CE2 4.46Å; F111-F378 HydrophobicContact CG-CD2 4.49Å; F111-F378 AromaticContact CG-CE2 3.51Å; F111-F378 HydrophobicContact CG-CE2 3.51Å; F111-F378 HydrophobicContact CG-CZ 4.24Å; V374-F378 WeakPolarHBondContact O-CA 3.08Å; V374-F378 PolarHBondContact O-N 3.3Å; F378-W380 VanDerWaalsContact C-N 3.3Å; F378-W380 PolarHBondContact O-N 3.49Å; F378-T381 PolarHBondContact O-N 2.98Å; F378-L382 WeakPolarHBondContact O-CG 3.21Å; F378-L382 PolarHBondContact O-N 3.08Å
379	P	86.9	Confident	88.5	Confident	19 Å²	19	47.1 Å²	47.1	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-42.8	-175.6	21.8	-31.2	0	0	0	112.1	K375 T376 V377 L382 E383 P471 Y473	K375-P379 WeakPolarHBondContact O-CA 3.36Å; K375-P379 VanDerWaalsContact O-CB 3.26Å; K375-P379 WeakPolarHBondContact O-CB 3.48Å; K375-P379 WeakPolarHBondContact O-CD 3.46Å; T376-P379 WeakPolarHBondContact O-CD 3.36Å; V377-P379 WeakPolarHBondContact O-CD 3.39Å; P379-L382 PolarHBondContact O-N 3.4Å; P379-E383 WeakPolarHBondContact O-CB 3.29Å; P379-E383 PolarHBondContact O-N 3.35Å; P379-P471 HydrophobicContact CB-CB 4.19Å; P379-P471 HydrophobicContact CB-CG 3.94Å; P379-Y473 WeakPolarHBondContact O-CE1 3.42Å
380	W	87.9	Confident	89.2	Confident	123 Å²	123	47.9 Å²	47.9	47%	0.466	25%	0.246	S	C	.	.	H	α-helix	trans	-74.1	-33.3	-173.6	-44.9	127.7	0	0	0	113.1	F378 E383 K384 P471	F378-W380 VanDerWaalsContact C-N 3.3Å; F378-W380 PolarHBondContact O-N 3.49Å; W380-E383 VanDerWaalsContact CE3-OE2 3.28Å; W380-E383 PolarHBondContact O-N 2.99Å; W380-K384 PolarHBondContact O-N 3.24Å; W380-P471 HydrophobicContact CE3-CB 4.23Å; W380-P471 HydrophobicContact CZ3-CB 3.8Å
381	T	90.4	Very high	89.6	Confident	18 Å²	18	48.7 Å²	48.7	11%	0.11	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-47.8	171.4	-52	0	0	0	0	110.3	H104 L105 F378 K384 H385	H104-T381 HydrophobicContact CB-CG2 3.84Å; L105-T381 HydrophobicContact CB-CG2 4.19Å; L105-T381 HydrophobicContact CD1-CG2 4.44Å; F378-T381 PolarHBondContact O-N 2.98Å; T381-K384 PolarHBondContact O-N 3.24Å; T381-H385 PolarHBondContact O-CD2 2.86Å; T381-H385 VanDerWaalsContact O-CD2 3.28Å; T381-H385 PolarHBondContact O-N 2.92Å
382	L	94.5	Very high	89.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-42.5	179	-63.7	176.9	0	0	0	111.7	F89 I93 T108 V374 K375 F378 P379 H385 F386 Y473	F89-L382 HydrophobicContact CB-CD2 4.29Å; F89-L382 HydrophobicContact CD1-CB 4Å; F89-L382 HydrophobicContact CD1-CD2 3.81Å; F89-L382 HydrophobicContact CD1-CG 4.33Å; F89-L382 HydrophobicContact CD2-CD1 4.08Å; F89-L382 HydrophobicContact CE1-CB 3.61Å; F89-L382 HydrophobicContact CE1-CD2 4.32Å; F89-L382 HydrophobicContact CE1-CG 4.41Å; F89-L382 WeakPolarHBondContact CE1-O 3.42Å; F89-L382 HydrophobicContact CE2-CB 4.21Å; F89-L382 HydrophobicContact CE2-CD1 4.19Å; F89-L382 HydrophobicContact CG-CB 4.5Å; F89-L382 HydrophobicContact CG-CD1 4.29Å; F89-L382 HydrophobicContact CG-CD2 4.01Å; F89-L382 HydrophobicContact CG-CG 4.49Å; F89-L382 HydrophobicContact CZ-CB 3.74Å; I93-L382 HydrophobicContact CD1-CD2 4.27Å; T108-L382 HydrophobicContact CG2-CD2 4.34Å; V374-L382 HydrophobicContact CG1-CD1 3.8Å; V374-L382 HydrophobicContact CG1-CD2 4.19Å; V374-L382 HydrophobicContact CG1-CG 4.38Å; K375-L382 HydrophobicContact CB-CD1 4.27Å; K375-L382 HydrophobicContact CG-CD1 3.66Å; F378-L382 WeakPolarHBondContact O-CG 3.21Å; F378-L382 PolarHBondContact O-N 3.08Å; P379-L382 PolarHBondContact O-N 3.4Å; L382-H385 PolarHBondContact O-N 2.77Å; L382-F386 WeakPolarHBondContact O-CB 3.5Å; L382-F386 PolarHBondContact O-N 3.36Å; L382-Y473 HydrophobicContact CB-CD1 4.38Å; L382-Y473 HydrophobicContact CB-CE1 3.97Å
383	E	93.3	Very high	90.1	Very high	29 Å²	29	53 Å²	53	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-47.6	177	178.1	178.8	-115.8	0	0	112.3	P379 W380 H385 F386 L387 R468 P471 T472 Y473	P379-E383 WeakPolarHBondContact O-CB 3.29Å; P379-E383 PolarHBondContact O-N 3.35Å; W380-E383 VanDerWaalsContact CE3-OE2 3.28Å; W380-E383 PolarHBondContact O-N 2.99Å; E383-H385 VanDerWaalsContact C-N 3.31Å; E383-H385 PolarHBondContact O-N 2.88Å; E383-F386 PolarHBondContact O-N 2.97Å; E383-F386 VanDerWaalsContact O-N 3.16Å; E383-L387 HydrophobicContact CG-CD1 3.73Å; E383-L387 HydrophobicContact CG-CG 4Å; E383-L387 WeakPolarHBondContact O-CB 3.19Å; E383-L387 VanDerWaalsContact O-CG 3.3Å; E383-L387 WeakPolarHBondContact O-CG 3.03Å; E383-L387 PolarHBondContact O-N 3.17Å; E383-R468 IonicContact OE1-CZ 2.76Å; E383-R468 IonicContact OE1-NH1 2.81Å; E383-R468 PolarHBondContact OE1-NH1 3.47Å; E383-P471 HydrophobicContact CB-CB 4.45Å; E383-T472 VanDerWaalsContact OE1-CA 3.28Å; E383-T472 WeakPolarHBondContact OE1-CA 3.49Å; E383-T472 PolarHBondContact OE1-N 3.44Å; E383-T472 PolarHBondContact OE1-OG1 2.9Å; E383-Y473 HydrophobicContact CB-CD1 3.94Å; E383-Y473 HydrophobicContact CB-CE1 4.33Å
384	K	93.9	Very high	90.6	Very high	114 Å²	114	54.1 Å²	54.1	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-49.9	-53.3	176.5	176.5	-169.8	171	-167.7	0	110.8	D102 W380 T381 T388	D102-K384 IonicContact OD2-NZ 2.76Å; D102-K384 PolarHBondContact OD2-NZ 3.32Å; W380-K384 PolarHBondContact O-N 3.24Å; T381-K384 PolarHBondContact O-N 3.24Å; K384-T388 PolarHBondContact O-N 3.11Å; K384-T388 PolarHBondContact O-OG1 3.39Å; K384-T388 VanDerWaalsContact O-OG1 3.06Å
385	H	96.3	Very high	90.8	Very high	11 Å²	11	55.5 Å²	55.5	5%	0.051	29%	0.292	C	S	.	.	H	α-helix	trans	-66.8	-42	-180	-73.3	-72.3	0	0	0	112.5	Y88 I92 Y98 D102 T381 L382 E383 L387 T388 S389	Y88-H385 PolarHBondContact OH-O 3.41Å; I92-H385 HydrophobicContact CD1-CB 3.75Å; Y98-H385 AromaticContact CE1-CE1 3.78Å; Y98-H385 AromaticContact CE1-ND1 3.36Å; Y98-H385 WeakPolarHBondContact CE1-ND1 3.49Å; Y98-H385 AromaticContact CZ-ND1 3.65Å; Y98-H385 PolarHBondContact OH-ND1 3.42Å; Y98-H385 VanDerWaalsContact OH-ND1 3.13Å; D102-H385 IonicContact OD2-NE2 3.69Å; D102-H385 PolarHBondContact OD2-NE2 3.5Å; T381-H385 PolarHBondContact O-CD2 2.86Å; T381-H385 VanDerWaalsContact O-CD2 3.28Å; T381-H385 PolarHBondContact O-N 2.92Å; L382-H385 PolarHBondContact O-N 2.77Å; E383-H385 VanDerWaalsContact C-N 3.31Å; E383-H385 PolarHBondContact O-N 2.88Å; H385-L387 PolarHBondContact O-N 3.3Å; H385-T388 PolarHBondContact O-N 3.13Å; H385-S389 WeakPolarHBondContact O-CB 3.29Å; H385-S389 PolarHBondContact O-N 3.06Å
386	F	96.2	Very high	90.8	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-51.6	177.5	-173.3	-91.3	0	0	0	111.8	T85 Y88 F89 L382 E383 T388 S389 H390 A490	T85-F386 HydrophobicContact CG2-CD2 4.07Å; T85-F386 HydrophobicContact CG2-CE2 3.83Å; Y88-F386 AromaticContact CD1-CD2 3.93Å; Y88-F386 HydrophobicContact CD1-CD2 3.93Å; Y88-F386 HydrophobicContact CE1-CB 4.21Å; Y88-F386 HydrophobicContact CE1-CD2 4.14Å; F89-F386 HydrophobicContact CE1-CB 3.93Å; F89-F386 HydrophobicContact CE1-CD2 4.13Å; F89-F386 HydrophobicContact CE1-CG 4.47Å; F89-F386 HydrophobicContact CZ-CB 4.18Å; F89-F386 HydrophobicContact CZ-CD2 4.11Å; F89-F386 HydrophobicContact CZ-CG 4.44Å; L382-F386 WeakPolarHBondContact O-CB 3.5Å; L382-F386 PolarHBondContact O-N 3.36Å; E383-F386 PolarHBondContact O-N 2.97Å; E383-F386 VanDerWaalsContact O-N 3.16Å; F386-T388 PolarHBondContact O-N 3.18Å; F386-S389 PolarHBondContact O-N 3.5Å; F386-S389 VanDerWaalsContact O-N 3.16Å; F386-H390 HydrophobicContact CD1-CB 4.38Å; F386-H390 AromaticContact CD2-CE1 3.65Å; F386-H390 AromaticContact CD2-ND1 3.52Å; F386-H390 HydrophobicContact CE1-CB 4.02Å; F386-H390 AromaticContact CE2-CD2 3.98Å; F386-H390 AromaticContact CE2-CE1 3.64Å; F386-H390 AromaticContact CE2-CG 3.83Å; F386-H390 AromaticContact CE2-ND1 3.62Å; F386-H390 AromaticContact CE2-NE2 3.88Å; F386-H390 AromaticContact CG-ND1 3.85Å; F386-H390 HydrophobicContact CZ-CB 4.13Å; F386-H390 AromaticContact CZ-CG 3.81Å; F386-H390 WeakPolarHBondContact O-CB 3.48Å; F386-H390 PolarHBondContact O-N 2.79Å; F386-H390 PolarHBondContact O-ND1 3.27Å; F386-A490 HydrophobicContact CD1-CB 4.26Å; F386-A490 HydrophobicContact CE1-CB 3.88Å
387	L	93.5	Very high	91.3	Very high	48 Å²	48	57.3 Å²	57.3	25%	0.251	29%	0.292	S	S	.	.	H	α-helix	trans	-62.2	-42.3	-178.4	-67.5	179.9	0	0	0	111.9	E383 H385 S389 I391 A490	E383-L387 HydrophobicContact CG-CD1 3.73Å; E383-L387 HydrophobicContact CG-CG 4Å; E383-L387 WeakPolarHBondContact O-CB 3.19Å; E383-L387 VanDerWaalsContact O-CG 3.3Å; E383-L387 WeakPolarHBondContact O-CG 3.03Å; E383-L387 PolarHBondContact O-N 3.17Å; H385-L387 PolarHBondContact O-N 3.3Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 2.97Å; L387-I391 HydrophobicContact CD2-CD1 3.78Å; L387-I391 PolarHBondContact O-N 3.48Å; L387-I391 VanDerWaalsContact O-N 3.08Å; L387-A490 HydrophobicContact CD2-CB 3.52Å
388	T	92.9	Very high	91.8	Very high	112 Å²	112	55.7 Å²	55.7	69%	0.687	28%	0.28	S	S	*	.	H	α-helix	trans	-62.6	-36.1	175.9	-60.3	0	0	0	0	112.2	K384 H385 F386	K384-T388 PolarHBondContact O-N 3.11Å; K384-T388 PolarHBondContact O-OG1 3.39Å; K384-T388 VanDerWaalsContact O-OG1 3.06Å; H385-T388 PolarHBondContact O-N 3.13Å; F386-T388 PolarHBondContact O-N 3.18Å
389	S	91.2	Very high	92	Very high	71 Å²	71	55 Å²	55	50%	0.497	28%	0.279	S	S	.	.	H	α-helix	trans	-86.5	-30	-176.4	-172.3	0	0	0	0	114.5	Y88 H385 F386 L387	Y88-S389 VanDerWaalsContact OH-CB 3.28Å; Y88-S389 WeakPolarHBondContact OH-CB 3.03Å; H385-S389 WeakPolarHBondContact O-CB 3.29Å; H385-S389 PolarHBondContact O-N 3.06Å; F386-S389 PolarHBondContact O-N 3.5Å; F386-S389 VanDerWaalsContact O-N 3.16Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 2.97Å
390	H	92.6	Very high	92.2	Very high	45 Å²	45	60 Å²	60	21%	0.208	30%	0.3	C	S	.	.	H	α-helix	trans	-109.9	-16.1	-170	-65	78.9	0	0	0	113.9	Y88 F386 Q395	Y88-H390 AromaticContact CD1-CE1 3.73Å; Y88-H390 AromaticContact CD2-CE1 3.5Å; Y88-H390 VanDerWaalsContact CD2-CE1 3.5Å; Y88-H390 WeakPolarHBondContact CD2-CE1 3.26Å; Y88-H390 AromaticContact CE1-CE1 3.91Å; Y88-H390 AromaticContact CE2-CE1 3.67Å; Y88-H390 AromaticContact CG-CE1 3.52Å; Y88-H390 AromaticContact CZ-CE1 3.88Å; F386-H390 HydrophobicContact CD1-CB 4.38Å; F386-H390 AromaticContact CD2-CE1 3.65Å; F386-H390 AromaticContact CD2-ND1 3.52Å; F386-H390 HydrophobicContact CE1-CB 4.02Å; F386-H390 AromaticContact CE2-CD2 3.98Å; F386-H390 AromaticContact CE2-CE1 3.64Å; F386-H390 AromaticContact CE2-CG 3.83Å; F386-H390 AromaticContact CE2-ND1 3.62Å; F386-H390 AromaticContact CE2-NE2 3.88Å; F386-H390 AromaticContact CG-ND1 3.85Å; F386-H390 HydrophobicContact CZ-CB 4.13Å; F386-H390 AromaticContact CZ-CG 3.81Å; F386-H390 WeakPolarHBondContact O-CB 3.48Å; F386-H390 PolarHBondContact O-N 2.79Å; F386-H390 PolarHBondContact O-ND1 3.27Å; H390-Q395 PolarHBondContact O-OE1 2.87Å; H390-Q395 VanDerWaalsContact O-OE1 3.13Å
391	I	91.1	Very high	92.4	Very high	18 Å²	18	60 Å²	60	9%	0.092	31%	0.305	C	S	.	.			trans	-131.2	110.3	-174	-52.1	-177.2	0	0	0	112.5	L387 Q395 R396 A490 M493	L387-I391 HydrophobicContact CD2-CD1 3.78Å; L387-I391 PolarHBondContact O-N 3.48Å; L387-I391 VanDerWaalsContact O-N 3.08Å; I391-Q395 VanDerWaalsContact CA-OE1 3.31Å; I391-Q395 HydrophobicContact CG2-CB 4.46Å; I391-R396 HydrophobicContact CG2-CG 3.47Å; I391-R396 VanDerWaalsContact CG2-CG 3.47Å; I391-R396 PolarHBondContact O-NH1 2.93Å; I391-R396 PolarHBondContact O-NH2 3Å; I391-A490 HydrophobicContact CD1-CB 3.19Å; I391-A490 HydrophobicContact CG1-CB 4.36Å; I391-M493 HydrophobicContact CD1-CB 4.35Å; I391-M493 HydrophobicContact CD1-CG 3.81Å; I391-M493 HydrophobicContact CG1-CB 4.14Å; I391-M493 HydrophobicContact CG1-CG 4.03Å
392	T	93.3	Very high	92.6	Very high	72 Å²	72	59.2 Å²	59.2	44%	0.442	30%	0.3	S	S	.	.			trans	-82.1	163.8	168.2	74.7	0	0	0	0	111.7	D394 Q395 R396	T392-D394 VanDerWaalsContact C-N 3.29Å; T392-D394 PolarHBondContact O-N 3.46Å; T392-Q395 PolarHBondContact O-N 3.31Å; T392-Q395 VanDerWaalsContact OG1-CG 3.29Å; T392-Q395 WeakPolarHBondContact OG1-CG 3.34Å; T392-Q395 PolarHBondContact OG1-N 2.72Å; T392-Q395 PolarHBondContact OG1-OE1 3.05Å; T392-R396 PolarHBondContact O-N 2.78Å
393	Q	90.3	Very high	92.5	Very high	105 Å²	105	60.5 Å²	60.5	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-35.8	175.9	-170.1	57.2	32.5	0	0	112.1	R396 N397	Q393-R396 WeakPolarHBondContact O-CB 3.43Å; Q393-R396 PolarHBondContact O-N 2.75Å; Q393-N397 PolarHBondContact NE2-OD1 2.93Å; Q393-N397 VanDerWaalsContact O-CG 3.23Å; Q393-N397 PolarHBondContact O-N 3.12Å; Q393-N397 PolarHBondContact O-OD1 2.95Å
394	D	91.9	Very high	92.4	Very high	121 Å²	121	63 Å²	63	65%	0.647	32%	0.32	S	S	*	.	H	α-helix	trans	-64.4	-42.5	177.9	-60.4	-26.6	0	0	0	111.6	T392 R396 N397 E398	T392-D394 VanDerWaalsContact C-N 3.29Å; T392-D394 PolarHBondContact O-N 3.46Å; D394-R396 VanDerWaalsContact C-N 3.29Å; D394-R396 PolarHBondContact O-N 3.32Å; D394-N397 PolarHBondContact O-N 2.81Å; D394-E398 WeakPolarHBondContact O-CB 3.47Å; D394-E398 PolarHBondContact O-N 2.54Å
395	Q	91.7	Very high	92.5	Very high	28 Å²	28	58.9 Å²	58.9	13%	0.131	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-38.2	174.7	-70.8	173.3	-36.9	0	0	111.8	H390 I391 T392 V399 M493 Y498	H390-Q395 PolarHBondContact O-OE1 2.87Å; H390-Q395 VanDerWaalsContact O-OE1 3.13Å; I391-Q395 VanDerWaalsContact CA-OE1 3.31Å; I391-Q395 HydrophobicContact CG2-CB 4.46Å; T392-Q395 PolarHBondContact O-N 3.31Å; T392-Q395 VanDerWaalsContact OG1-CG 3.29Å; T392-Q395 WeakPolarHBondContact OG1-CG 3.34Å; T392-Q395 PolarHBondContact OG1-N 2.72Å; T392-Q395 PolarHBondContact OG1-OE1 3.05Å; Q395-V399 WeakPolarHBondContact O-CG2 3.45Å; Q395-V399 PolarHBondContact O-N 2.82Å; Q395-V399 VanDerWaalsContact O-N 3.08Å; Q395-M493 HydrophobicContact CB-CE 3.94Å; Q395-Y498 HydrophobicContact CG-CE1 4.34Å
396	R	88.8	Confident	92.4	Very high	96 Å²	96	58.4 Å²	58.4	36%	0.362	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-48.4	174.1	-74.3	-174.8	-89.3	-82.6	-4.3	111.5	I391 T392 Q393 D394 E398 V399 Q400	I391-R396 HydrophobicContact CG2-CG 3.47Å; I391-R396 VanDerWaalsContact CG2-CG 3.47Å; I391-R396 PolarHBondContact O-NH1 2.93Å; I391-R396 PolarHBondContact O-NH2 3Å; T392-R396 PolarHBondContact O-N 2.78Å; Q393-R396 WeakPolarHBondContact O-CB 3.43Å; Q393-R396 PolarHBondContact O-N 2.75Å; D394-R396 VanDerWaalsContact C-N 3.29Å; D394-R396 PolarHBondContact O-N 3.32Å; R396-E398 VanDerWaalsContact C-N 3.32Å; R396-E398 PolarHBondContact O-N 3.04Å; R396-V399 PolarHBondContact O-N 3.37Å; R396-Q400 WeakPolarHBondContact O-CG 3.5Å; R396-Q400 PolarHBondContact O-N 3.44Å
397	N	91.3	Very high	92.2	Very high	72 Å²	72	59.4 Å²	59.4	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-40.6	-179.2	-63.5	-11	0	0	0	111.1	Q393 D394 Q400 Q401	Q393-N397 PolarHBondContact NE2-OD1 2.93Å; Q393-N397 VanDerWaalsContact O-CG 3.23Å; Q393-N397 PolarHBondContact O-N 3.12Å; Q393-N397 PolarHBondContact O-OD1 2.95Å; D394-N397 PolarHBondContact O-N 2.81Å; N397-Q400 PolarHBondContact O-N 3.18Å; N397-Q401 PolarHBondContact O-N 3.05Å
398	E	91.9	Very high	92.2	Very high	32 Å²	32	59 Å²	59	15%	0.15	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-45.3	177.5	-176.7	174.6	-168.9	0	0	111.8	D394 R396 Q401 L402 Y498 R507 Y508	D394-E398 WeakPolarHBondContact O-CB 3.47Å; D394-E398 PolarHBondContact O-N 2.54Å; R396-E398 VanDerWaalsContact C-N 3.32Å; R396-E398 PolarHBondContact O-N 3.04Å; E398-Q401 PolarHBondContact O-N 3.48Å; E398-L402 PolarHBondContact O-N 3.48Å; E398-Y498 PolarHBondContact OE2-OH 3.17Å; E398-Y498 VanDerWaalsContact OE2-OH 3.07Å; E398-R507 VanDerWaalsContact CD-NH1 3.3Å; E398-R507 IonicContact OE1-CZ 3.69Å; E398-R507 IonicContact OE1-NE 3.29Å; E398-R507 IonicContact OE1-NH1 2.87Å; E398-R507 PolarHBondContact OE1-NH1 3.3Å; E398-R507 IonicContact OE2-CZ 3.8Å; E398-R507 IonicContact OE2-NH1 3.08Å; E398-R507 PolarHBondContact OE2-NH1 3.38Å; E398-Y508 HydrophobicContact CG-CE1 4.38Å
399	V	91.9	Very high	92.2	Very high	20 Å²	20	53.8 Å²	53.8	12%	0.121	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-37	176.9	173.9	0	0	0	0	111.6	Q395 R396 Q401 L402 V403 M493 Y498 L511 I515	Q395-V399 WeakPolarHBondContact O-CG2 3.45Å; Q395-V399 PolarHBondContact O-N 2.82Å; Q395-V399 VanDerWaalsContact O-N 3.08Å; R396-V399 PolarHBondContact O-N 3.37Å; V399-Q401 VanDerWaalsContact C-N 3.33Å; V399-Q401 PolarHBondContact O-N 2.71Å; V399-L402 WeakPolarHBondContact O-CB 3.39Å; V399-L402 PolarHBondContact O-N 3.37Å; V399-V403 WeakPolarHBondContact O-CG2 3.26Å; V399-V403 PolarHBondContact O-N 3.02Å; V399-M493 HydrophobicContact CG2-CE 3.63Å; V399-M493 HydrophobicContact CG2-SD 3.79Å; V399-Y498 HydrophobicContact CG2-CE2 4.4Å; V399-L511 HydrophobicContact CG1-CD2 4.22Å; V399-L511 HydrophobicContact CG2-CD2 3.69Å; V399-I515 HydrophobicContact CG1-CD1 4.25Å
400	Q	90.5	Very high	92.3	Very high	124 Å²	124	50.4 Å²	50.4	58%	0.579	25%	0.25	S	C	*	.	H	α-helix	trans	-61.3	-42.6	172.9	-75.4	176.3	-28.7	0	0	111.6	R396 N397 V403 E404	R396-Q400 WeakPolarHBondContact O-CG 3.5Å; R396-Q400 PolarHBondContact O-N 3.44Å; N397-Q400 PolarHBondContact O-N 3.18Å; Q400-V403 WeakPolarHBondContact O-CB 3.18Å; Q400-V403 PolarHBondContact O-N 3.21Å; Q400-E404 PolarHBondContact O-N 3.41Å
401	Q	92.9	Very high	92.2	Very high	122 Å²	122	50.1 Å²	50.1	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-63.3	-42.3	175	-174.2	177.1	1.8	0	0	111.6	N397 E398 V399 V403 E404 E405	N397-Q401 PolarHBondContact O-N 3.05Å; E398-Q401 PolarHBondContact O-N 3.48Å; V399-Q401 VanDerWaalsContact C-N 3.33Å; V399-Q401 PolarHBondContact O-N 2.71Å; Q401-V403 VanDerWaalsContact C-N 3.3Å; Q401-V403 PolarHBondContact O-N 3.2Å; Q401-E404 PolarHBondContact O-N 3.46Å; Q401-E404 VanDerWaalsContact O-N 3.16Å; Q401-E405 HydrophobicContact CG-CG 4.47Å; Q401-E405 WeakPolarHBondContact O-CG 3.4Å; Q401-E405 PolarHBondContact O-N 2.92Å
402	L	94.3	Very high	92.2	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-43	174.8	174.9	60.1	0	0	0	112.1	E398 V399 E404 E405 V406 Y508 I515 M589	E398-L402 PolarHBondContact O-N 3.48Å; V399-L402 WeakPolarHBondContact O-CB 3.39Å; V399-L402 PolarHBondContact O-N 3.37Å; L402-E404 VanDerWaalsContact C-N 3.31Å; L402-E404 PolarHBondContact O-N 3.15Å; L402-E405 PolarHBondContact O-N 3.09Å; L402-V406 HydrophobicContact CD1-CG2 4.01Å; L402-V406 HydrophobicContact CG-CG2 4.44Å; L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 3.23Å; L402-Y508 HydrophobicContact CD1-CD2 3.53Å; L402-Y508 HydrophobicContact CD1-CE2 3.44Å; L402-Y508 VanDerWaalsContact CD1-CE2 3.44Å; L402-Y508 HydrophobicContact CD1-CG 4.37Å; L402-Y508 HydrophobicContact CD2-CD1 4.36Å; L402-Y508 HydrophobicContact CD2-CD2 3.52Å; L402-Y508 HydrophobicContact CD2-CE2 4.23Å; L402-Y508 HydrophobicContact CD2-CG 3.6Å; L402-Y508 HydrophobicContact CG-CD2 4.11Å; L402-Y508 HydrophobicContact CG-CE2 4.35Å; L402-I515 HydrophobicContact CD2-CD1 3.87Å; L402-I515 HydrophobicContact CG-CD1 4.21Å; L402-M589 HydrophobicContact CD1-CE 4.03Å; L402-M589 HydrophobicContact CD1-SD 4.33Å
403	V	92.7	Very high	92.1	Very high	28 Å²	28	50.1 Å²	50.1	17%	0.17	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-43.8	176.3	170	0	0	0	0	111	V399 Q400 Q401 R407 M486 I515 F519	V399-V403 WeakPolarHBondContact O-CG2 3.26Å; V399-V403 PolarHBondContact O-N 3.02Å; Q400-V403 WeakPolarHBondContact O-CB 3.18Å; Q400-V403 PolarHBondContact O-N 3.21Å; Q401-V403 VanDerWaalsContact C-N 3.3Å; Q401-V403 PolarHBondContact O-N 3.2Å; V403-R407 VanDerWaalsContact O-CB 3.3Å; V403-R407 WeakPolarHBondContact O-CB 3.5Å; V403-R407 PolarHBondContact O-N 3.1Å; V403-M486 HydrophobicContact CG1-CE 4.33Å; V403-M486 HydrophobicContact CG2-CE 4.3Å; V403-I515 HydrophobicContact CG2-CD1 3.96Å; V403-I515 HydrophobicContact CG2-CG1 4.43Å; V403-I515 HydrophobicContact CG2-CG2 4.05Å; V403-F519 HydrophobicContact CG1-CE2 3.87Å; V403-F519 HydrophobicContact CG1-CZ 3.78Å
404	E	92.1	Very high	92.1	Very high	82 Å²	82	45.1 Å²	45.1	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-69.5	-36.4	178	-64.5	-54.3	145.8	0	0	112.9	Q400 Q401 L402 R407 S408	Q400-E404 PolarHBondContact O-N 3.41Å; Q401-E404 PolarHBondContact O-N 3.46Å; Q401-E404 VanDerWaalsContact O-N 3.16Å; L402-E404 VanDerWaalsContact C-N 3.31Å; L402-E404 PolarHBondContact O-N 3.15Å; E404-R407 PolarHBondContact O-N 3.5Å; E404-R407 IonicContact OE1-NH1 2.69Å; E404-R407 VanDerWaalsContact OE2-CD 3.3Å; E404-R407 WeakPolarHBondContact OE2-CD 3.25Å; E404-R407 IonicContact OE2-NH1 3.09Å; E404-R407 PolarHBondContact OE2-NH1 3.26Å; E404-S408 WeakPolarHBondContact O-CB 3.4Å; E404-S408 PolarHBondContact O-N 3.21Å
405	E	94.5	Very high	91.9	Very high	27 Å²	27	43.1 Å²	43.1	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-41.4	175.7	-66.9	-71.9	179.9	0	0	112.1	Q401 L402 S408 T409 T592 L596 R599	Q401-E405 HydrophobicContact CG-CG 4.47Å; Q401-E405 WeakPolarHBondContact O-CG 3.4Å; Q401-E405 PolarHBondContact O-N 2.92Å; L402-E405 PolarHBondContact O-N 3.09Å; E405-S408 PolarHBondContact O-N 3.09Å; E405-T409 PolarHBondContact O-N 3.06Å; E405-T409 PolarHBondContact O-OG1 3.47Å; E405-T592 HydrophobicContact CB-CG2 3.83Å; E405-L596 HydrophobicContact CB-CD1 4.45Å; E405-L596 HydrophobicContact CG-CD1 4.47Å; E405-L596 HydrophobicContact CG-CD2 4.04Å; E405-R599 IonicContact OE1-CZ 3.6Å; E405-R599 IonicContact OE1-NH1 3.27Å; E405-R599 PolarHBondContact OE1-NH1 2.82Å; E405-R599 IonicContact OE2-CZ 3.48Å; E405-R599 IonicContact OE2-NH1 2.9Å; E405-R599 PolarHBondContact OE2-NH1 3.34Å; E405-R599 IonicContact OE2-NH2 3.39Å
406	V	95	Very high	91.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-49.1	173.9	169.8	0	0	0	0	109.9	L402 S408 T409 I410 I515 A516 F519 I588 M589 T592	L402-V406 HydrophobicContact CD1-CG2 4.01Å; L402-V406 HydrophobicContact CG-CG2 4.44Å; L402-V406 WeakPolarHBondContact O-CG2 3.42Å; L402-V406 PolarHBondContact O-N 3.23Å; V406-S408 PolarHBondContact O-N 3.04Å; V406-T409 WeakPolarHBondContact O-CB 3.16Å; V406-T409 PolarHBondContact O-N 3.19Å; V406-T409 VanDerWaalsContact O-N 3.1Å; V406-I410 HydrophobicContact CG1-CD1 4.01Å; V406-I410 HydrophobicContact CG1-CG1 4.5Å; V406-I410 WeakPolarHBondContact O-CG1 3.38Å; V406-I410 PolarHBondContact O-N 2.77Å; V406-I515 HydrophobicContact CB-CG2 4.27Å; V406-I515 HydrophobicContact CG1-CG2 4.18Å; V406-I515 HydrophobicContact CG2-CG2 4.3Å; V406-A516 HydrophobicContact CG1-CB 3.81Å; V406-F519 HydrophobicContact CB-CE2 4.48Å; V406-F519 HydrophobicContact CG1-CD2 3.71Å; V406-F519 HydrophobicContact CG1-CE2 4.12Å; V406-I588 HydrophobicContact CG1-CG2 3.87Å; V406-M589 HydrophobicContact CG2-SD 3.85Å; V406-T592 HydrophobicContact CG2-CG2 4.15Å
407	R	91.5	Very high	91.6	Very high	23 Å²	23	44.3 Å²	44.3	9%	0.087	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-48.5	176.8	-178.3	-153.5	-164.3	128.6	10.5	112.4	V403 E404 T409 I410 I411 Y432 I434 F519	V403-R407 VanDerWaalsContact O-CB 3.3Å; V403-R407 WeakPolarHBondContact O-CB 3.5Å; V403-R407 PolarHBondContact O-N 3.1Å; E404-R407 PolarHBondContact O-N 3.5Å; E404-R407 IonicContact OE1-NH1 2.69Å; E404-R407 VanDerWaalsContact OE2-CD 3.3Å; E404-R407 WeakPolarHBondContact OE2-CD 3.25Å; E404-R407 IonicContact OE2-NH1 3.09Å; E404-R407 PolarHBondContact OE2-NH1 3.26Å; R407-T409 VanDerWaalsContact C-N 3.26Å; R407-T409 PolarHBondContact O-N 2.78Å; R407-I410 WeakPolarHBondContact O-CB 3.46Å; R407-I410 PolarHBondContact O-N 3.01Å; R407-I410 VanDerWaalsContact O-N 3.12Å; R407-I411 HydrophobicContact CG-CD1 4.28Å; R407-I411 PolarHBondContact O-N 3.08Å; R407-Y432 HydrophobicContact CG-CD1 4.05Å; R407-Y432 HydrophobicContact CG-CG 4.25Å; R407-Y432 PolarHBondContact NH2-O 3.38Å; R407-I434 VanDerWaalsContact CZ-CB 3.48Å; R407-I434 VanDerWaalsContact NH1-CD1 3.35Å; R407-F519 HydrophobicContact CB-CE2 4.43Å; R407-F519 HydrophobicContact CB-CZ 4.12Å
408	S	92.9	Very high	91.4	Very high	39 Å²	39	47.5 Å²	47.5	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-56	-43.3	176.1	164.7	0	0	0	0	111.1	E404 E405 V406 I410 I411 E412 K595	E404-S408 WeakPolarHBondContact O-CB 3.4Å; E404-S408 PolarHBondContact O-N 3.21Å; E405-S408 PolarHBondContact O-N 3.09Å; V406-S408 PolarHBondContact O-N 3.04Å; S408-I410 VanDerWaalsContact C-N 3.33Å; S408-I410 PolarHBondContact O-N 3.34Å; S408-I411 PolarHBondContact O-N 3.28Å; S408-E412 WeakPolarHBondContact O-CG 3.29Å; S408-E412 PolarHBondContact O-N 3.2Å; S408-E412 PolarHBondContact OG-OE1 3.44Å; S408-K595 PolarHBondContact OG-NZ 2.92Å
409	T	94.3	Very high	91.1	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-65.8	-35.3	178.3	-52.5	0	0	0	0	112.3	E405 V406 R407 S413 I588 N591 T592	E405-T409 PolarHBondContact O-N 3.06Å; E405-T409 PolarHBondContact O-OG1 3.47Å; V406-T409 WeakPolarHBondContact O-CB 3.16Å; V406-T409 PolarHBondContact O-N 3.19Å; V406-T409 VanDerWaalsContact O-N 3.1Å; R407-T409 VanDerWaalsContact C-N 3.26Å; R407-T409 PolarHBondContact O-N 2.78Å; T409-S413 WeakPolarHBondContact O-CB 3.13Å; T409-S413 PolarHBondContact O-N 3.48Å; T409-S413 PolarHBondContact O-OG 2.81Å; T409-I588 HydrophobicContact CG2-CG2 4.28Å; T409-N591 HydrophobicContact CG2-CB 3.59Å; T409-T592 VanDerWaalsContact CB-OG1 3.22Å; T409-T592 WeakPolarHBondContact CB-OG1 3.23Å; T409-T592 WeakPolarHBondContact CG2-OG1 3.47Å; T409-T592 PolarHBondContact OG1-OG1 2.61Å
410	I	92.3	Very high	90.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-50.1	174.6	-65.8	168.4	0	0	0	110.6	V406 R407 S408 E412 S413 V414 Y432 F519 M520 I523 I588	V406-I410 HydrophobicContact CG1-CD1 4.01Å; V406-I410 HydrophobicContact CG1-CG1 4.5Å; V406-I410 WeakPolarHBondContact O-CG1 3.38Å; V406-I410 PolarHBondContact O-N 2.77Å; R407-I410 WeakPolarHBondContact O-CB 3.46Å; R407-I410 PolarHBondContact O-N 3.01Å; R407-I410 VanDerWaalsContact O-N 3.12Å; S408-I410 VanDerWaalsContact C-N 3.33Å; S408-I410 PolarHBondContact O-N 3.34Å; I410-E412 VanDerWaalsContact C-N 3.32Å; I410-E412 PolarHBondContact O-N 2.99Å; I410-S413 PolarHBondContact O-N 3.22Å; I410-S413 VanDerWaalsContact O-N 3.11Å; I410-V414 HydrophobicContact CG2-CG2 3.97Å; I410-V414 WeakPolarHBondContact O-CG2 3.35Å; I410-V414 PolarHBondContact O-N 3.39Å; I410-Y432 HydrophobicContact CG2-CD2 4.38Å; I410-Y432 HydrophobicContact CG2-CE2 3.55Å; I410-F519 HydrophobicContact CD1-CB 3.43Å; I410-F519 VanDerWaalsContact CD1-CB 3.43Å; I410-F519 HydrophobicContact CD1-CD1 4.42Å; I410-F519 HydrophobicContact CD1-CD2 4.01Å; I410-F519 HydrophobicContact CD1-CG 3.75Å; I410-M520 HydrophobicContact CD1-CE 3.52Å; I410-M520 HydrophobicContact CG1-CE 3.68Å; I410-M520 HydrophobicContact CG2-CE 4.11Å; I410-I523 HydrophobicContact CG2-CD1 4.28Å; I410-I588 HydrophobicContact CB-CD1 4.49Å; I410-I588 HydrophobicContact CD1-CG2 4.21Å; I410-I588 HydrophobicContact CG1-CB 4.34Å; I410-I588 HydrophobicContact CG1-CD1 3.98Å; I410-I588 HydrophobicContact CG1-CG1 3.94Å; I410-I588 HydrophobicContact CG1-CG2 3.51Å
411	I	90.4	Very high	90.6	Very high	39 Å²	39	45 Å²	45	20%	0.2	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-48.5	179.3	-66.6	168.2	0	0	0	110	R407 S408 S413 V414 T415 T429 Y432	R407-I411 HydrophobicContact CG-CD1 4.28Å; R407-I411 PolarHBondContact O-N 3.08Å; S408-I411 PolarHBondContact O-N 3.28Å; I411-S413 VanDerWaalsContact C-N 3.32Å; I411-S413 PolarHBondContact O-N 2.96Å; I411-V414 PolarHBondContact O-N 2.84Å; I411-T415 WeakPolarHBondContact O-CG2 3.47Å; I411-T415 PolarHBondContact O-N 3.3Å; I411-T429 HydrophobicContact CG2-CG2 3.93Å; I411-Y432 HydrophobicContact CG1-CD2 4.14Å; I411-Y432 HydrophobicContact CG1-CG 4.4Å
412	E	91.6	Very high	90.4	Very high	85 Å²	85	45.3 Å²	45.3	40%	0.397	23%	0.234	S	C	.	.	H	α-helix	trans	-55.4	-46.5	175.6	-73.2	168	-166.8	0	0	111.5	S408 I410 T415 Q416 K595	S408-E412 WeakPolarHBondContact O-CG 3.29Å; S408-E412 PolarHBondContact O-N 3.2Å; S408-E412 PolarHBondContact OG-OE1 3.44Å; I410-E412 VanDerWaalsContact C-N 3.32Å; I410-E412 PolarHBondContact O-N 2.99Å; E412-T415 PolarHBondContact O-N 3.03Å; E412-T415 PolarHBondContact O-OG1 2.87Å; E412-Q416 WeakPolarHBondContact O-CG 3.26Å; E412-K595 IonicContact OE1-NZ 3.09Å; E412-K595 PolarHBondContact OE1-NZ 3.08Å; E412-K595 IonicContact OE2-NZ 2.82Å; E412-K595 PolarHBondContact OE2-NZ 2.95Å
413	S	91.6	Very high	90	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.028	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-42.7	-178.8	-56.5	0	0	0	0	112.4	T409 I410 I411 T415 Q416 V417 I588	T409-S413 WeakPolarHBondContact O-CB 3.13Å; T409-S413 PolarHBondContact O-N 3.48Å; T409-S413 PolarHBondContact O-OG 2.81Å; I410-S413 PolarHBondContact O-N 3.22Å; I410-S413 VanDerWaalsContact O-N 3.11Å; I411-S413 VanDerWaalsContact C-N 3.32Å; I411-S413 PolarHBondContact O-N 2.96Å; S413-T415 VanDerWaalsContact C-N 3.3Å; S413-T415 PolarHBondContact O-N 3.47Å; S413-Q416 PolarHBondContact O-N 2.89Å; S413-Q416 VanDerWaalsContact O-N 3.12Å; S413-V417 PolarHBondContact O-N 3.47Å; S413-I588 VanDerWaalsContact OG-CD1 3.28Å; S413-I588 WeakPolarHBondContact OG-CD1 3.47Å
414	V	89.1	Confident	89.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.6	-40.6	179	169.8	0	0	0	0	111.5	I410 I411 Q416 V417 L420 K425 V428 I523 W679	I410-V414 HydrophobicContact CG2-CG2 3.97Å; I410-V414 WeakPolarHBondContact O-CG2 3.35Å; I410-V414 PolarHBondContact O-N 3.39Å; I411-V414 PolarHBondContact O-N 2.84Å; V414-Q416 PolarHBondContact O-N 2.66Å; V414-V417 WeakPolarHBondContact O-CG2 3.4Å; V414-V417 PolarHBondContact O-N 3.44Å; V414-L420 HydrophobicContact CG1-CD1 4.47Å; V414-K425 HydrophobicContact CG1-CB 4.25Å; V414-K425 HydrophobicContact CG1-CG 4.36Å; V414-V428 HydrophobicContact CB-CG1 4.11Å; V414-V428 HydrophobicContact CG1-CB 3.89Å; V414-V428 HydrophobicContact CG1-CG1 3.62Å; V414-V428 HydrophobicContact CG2-CG1 3.44Å; V414-V428 VanDerWaalsContact CG2-CG1 3.44Å; V414-I523 HydrophobicContact CG2-CD1 4.45Å; V414-W679 HydrophobicContact CB-CZ3 4.25Å; V414-W679 HydrophobicContact CG2-CE3 4.28Å; V414-W679 HydrophobicContact CG2-CH2 3.99Å; V414-W679 HydrophobicContact CG2-CZ3 3.42Å; V414-W679 VanDerWaalsContact CG2-CZ3 3.42Å
415	T	88	Confident	89.3	Confident	79 Å²	79	45.6 Å²	45.6	49%	0.485	24%	0.237	S	C	.	.	H	α-helix	trans	-64.4	-26.8	180	62.9	0	0	0	0	112.8	I411 E412 S413	I411-T415 WeakPolarHBondContact O-CG2 3.47Å; I411-T415 PolarHBondContact O-N 3.3Å; E412-T415 PolarHBondContact O-N 3.03Å; E412-T415 PolarHBondContact O-OG1 2.87Å; S413-T415 VanDerWaalsContact C-N 3.3Å; S413-T415 PolarHBondContact O-N 3.47Å
416	Q	88.3	Confident	88.8	Confident	144 Å²	144	49.4 Å²	49.4	67%	0.673	25%	0.254	S	S	*	.	H	α-helix	trans	-89.2	-17.4	-176.4	-64.9	177.3	3.9	0	0	114	E412 S413 V414	E412-Q416 WeakPolarHBondContact O-CG 3.26Å; S413-Q416 PolarHBondContact O-N 2.89Å; S413-Q416 VanDerWaalsContact O-N 3.12Å; V414-Q416 PolarHBondContact O-N 2.66Å
417	V	87.5	Confident	88.2	Confident	6 Å²	6	50.5 Å²	50.5	4%	0.036	26%	0.259	C	S	.	.			trans	-69.9	141.6	-177.6	-64.4	0	0	0	0	112.1	S413 V414 W419 L420 K425 W679	S413-V417 PolarHBondContact O-N 3.47Å; V414-V417 WeakPolarHBondContact O-CG2 3.4Å; V414-V417 PolarHBondContact O-N 3.44Å; V417-W419 HydrophobicContact CB-CG 4.49Å; V417-L420 HydrophobicContact CG2-CB 3.93Å; V417-L420 HydrophobicContact CG2-CD1 3.8Å; V417-L420 HydrophobicContact CG2-CG 3.92Å; V417-K425 WeakPolarHBondContact O-CE 3.42Å; V417-K425 PolarHBondContact O-NZ 2.66Å; V417-W679 HydrophobicContact CG1-CE3 3.76Å; V417-W679 HydrophobicContact CG1-CZ3 4.18Å
418	T	86.6	Confident	87.8	Confident	138 Å²	138	49.5 Å²	49.5	85%	0.847	26%	0.255	S	S	*	.	S	Bend	trans	-97.1	-10.3	-179	55.2	0	0	0	0	113.7
419	W	85.9	Confident	87.3	Confident	49 Å²	49	49.3 Å²	49.3	19%	0.186	25%	0.253	C	S	.	.	S	Bend	trans	-95.1	-12.5	-173.4	60.1	-97.9	0	0	0	113.9	V417 A548 N549 Q552 L678 W679	V417-W419 HydrophobicContact CB-CG 4.49Å; W419-A548 HydrophobicContact CE3-CB 3.96Å; W419-A548 HydrophobicContact CZ3-CB 4.13Å; W419-N549 WeakPolarHBondContact CH2-OD1 3.25Å; W419-N549 WeakPolarHBondContact CZ3-OD1 3.42Å; W419-Q552 HydrophobicContact CD2-CG 3.7Å; W419-Q552 HydrophobicContact CE3-CG 3.67Å; W419-Q552 HydrophobicContact CG-CG 4.15Å; W419-Q552 HydrophobicContact CH2-CG 4.44Å; W419-Q552 HydrophobicContact CZ2-CG 4.43Å; W419-Q552 HydrophobicContact CZ3-CG 4.04Å; W419-L678 PolarHBondContact NE1-O 3.27Å; W419-W679 HydrophobicContact CH2-CH2 4.39Å; W419-W679 HydrophobicContact CZ2-CH2 4.13Å; W419-W679 HydrophobicContact CZ2-CZ2 4.31Å; W419-W679 HydrophobicContact CZ2-CZ3 4.3Å
420	L	85.8	Confident	86.4	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.047	27%	0.266	C	S	.	.	S	Bend	trans	-92	139	167.1	-69.7	179.3	0	0	0	109.5	V414 V417 T424 K425 A548	V414-L420 HydrophobicContact CG1-CD1 4.47Å; V417-L420 HydrophobicContact CG2-CB 3.93Å; V417-L420 HydrophobicContact CG2-CD1 3.8Å; V417-L420 HydrophobicContact CG2-CG 3.92Å; L420-T424 HydrophobicContact CD2-CG2 3.72Å; L420-K425 HydrophobicContact CB-CG 3.8Å; L420-K425 WeakPolarHBondContact O-CE 3.5Å; L420-A548 HydrophobicContact CD2-CB 4.26Å
421	N	86.1	Confident	85.7	Confident	66 Å²	66	52 Å²	52	35%	0.353	27%	0.267	S	S	.	.			trans	-74.2	160.4	169.5	67.8	26.5	0	0	0	110.6	N423 T424 K425	N421-N423 VanDerWaalsContact C-N 3.3Å; N421-N423 PolarHBondContact O-N 3.43Å; N421-T424 PolarHBondContact O-N 3.05Å; N421-T424 WeakPolarHBondContact OD1-CB 3.33Å; N421-T424 PolarHBondContact OD1-N 2.87Å; N421-T424 PolarHBondContact OD1-OG1 2.88Å; N421-K425 PolarHBondContact O-N 3.22Å
422	E	87.4	Confident	84.7	Confident	129 Å²	129	50.7 Å²	50.7	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-59.5	-37.6	-175.7	-63.7	-53.8	131.2	0	0	113	T424 K425 Q426	E422-T424 VanDerWaalsContact C-N 3.3Å; E422-T424 PolarHBondContact O-N 3.03Å; E422-K425 PolarHBondContact O-N 2.96Å; E422-K425 IonicContact OE1-NZ 3.7Å; E422-K425 PolarHBondContact OE1-NZ 3.4Å; E422-Q426 WeakPolarHBondContact O-CB 3.48Å; E422-Q426 PolarHBondContact O-N 3.05Å
423	N	85.7	Confident	83	Confident	93 Å²	93	48.7 Å²	48.7	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-40.5	174.6	-68.5	-4.1	0	0	0	112.1	N421 F427 D541	N421-N423 VanDerWaalsContact C-N 3.3Å; N421-N423 PolarHBondContact O-N 3.43Å; N423-F427 VanDerWaalsContact O-CB 3.3Å; N423-F427 WeakPolarHBondContact O-CB 3.5Å; N423-F427 PolarHBondContact O-N 3.31Å; N423-D541 PolarHBondContact ND2-OD1 2.75Å
424	T	83.3	Confident	81.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-75.3	-38.2	179.4	-51.8	0	0	0	0	110.9	L420 N421 E422 F427 V428	L420-T424 HydrophobicContact CD2-CG2 3.72Å; N421-T424 PolarHBondContact O-N 3.05Å; N421-T424 WeakPolarHBondContact OD1-CB 3.33Å; N421-T424 PolarHBondContact OD1-N 2.87Å; N421-T424 PolarHBondContact OD1-OG1 2.88Å; E422-T424 VanDerWaalsContact C-N 3.3Å; E422-T424 PolarHBondContact O-N 3.03Å; T424-F427 PolarHBondContact O-N 2.88Å; T424-V428 HydrophobicContact CG2-CG2 4.36Å; T424-V428 WeakPolarHBondContact O-CB 3.48Å; T424-V428 VanDerWaalsContact O-CG2 3.25Å; T424-V428 WeakPolarHBondContact O-CG2 3.42Å; T424-V428 PolarHBondContact O-N 2.9Å
425	K	87.6	Confident	79.4	Confident	23 Å²	23	56 Å²	56	10%	0.1	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-50.6	173.5	-69.4	179.4	-175.6	175.2	0	111.5	V414 V417 L420 N421 E422 F427 V428 T429	V414-K425 HydrophobicContact CG1-CB 4.25Å; V414-K425 HydrophobicContact CG1-CG 4.36Å; V417-K425 WeakPolarHBondContact O-CE 3.42Å; V417-K425 PolarHBondContact O-NZ 2.66Å; L420-K425 HydrophobicContact CB-CG 3.8Å; L420-K425 WeakPolarHBondContact O-CE 3.5Å; N421-K425 PolarHBondContact O-N 3.22Å; E422-K425 PolarHBondContact O-N 2.96Å; E422-K425 IonicContact OE1-NZ 3.7Å; E422-K425 PolarHBondContact OE1-NZ 3.4Å; K425-F427 VanDerWaalsContact C-N 3.32Å; K425-F427 PolarHBondContact O-N 3.16Å; K425-V428 PolarHBondContact O-N 3.16Å; K425-V428 VanDerWaalsContact O-N 3.17Å; K425-T429 PolarHBondContact O-N 3.49Å; K425-T429 PolarHBondContact O-OG1 3.3Å; K425-T429 VanDerWaalsContact O-OG1 3.13Å
426	Q	84.2	Confident	77.7	Confident	107 Å²	107	57.1 Å²	57.1	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-58.8	-47.3	178.1	-173.4	62	49.8	0	0	110.6	E422 V428 T429 D430	E422-Q426 WeakPolarHBondContact O-CB 3.48Å; E422-Q426 PolarHBondContact O-N 3.05Å; Q426-V428 VanDerWaalsContact C-N 3.32Å; Q426-V428 PolarHBondContact O-N 2.87Å; Q426-T429 PolarHBondContact O-N 3.32Å; Q426-D430 PolarHBondContact NE2-OD1 3.45Å; Q426-D430 WeakPolarHBondContact O-CB 3.17Å; Q426-D430 PolarHBondContact O-N 2.86Å
427	F	82.1	Confident	76.1	Confident	22 Å²	22	58.6 Å²	58.6	10%	0.096	32%	0.316	C	S	.	.	H	α-helix	trans	-57.2	-44.3	175.8	167.6	-98.2	0	0	0	112.9	N423 T424 K425 D430 K431 E530 R537	N423-F427 VanDerWaalsContact O-CB 3.3Å; N423-F427 WeakPolarHBondContact O-CB 3.5Å; N423-F427 PolarHBondContact O-N 3.31Å; T424-F427 PolarHBondContact O-N 2.88Å; K425-F427 VanDerWaalsContact C-N 3.32Å; K425-F427 PolarHBondContact O-N 3.16Å; F427-D430 PolarHBondContact O-N 3.47Å; F427-K431 HydrophobicContact CE1-CD 4.21Å; F427-K431 HydrophobicContact CZ-CD 3.98Å; F427-K431 WeakPolarHBondContact O-CB 3.35Å; F427-K431 PolarHBondContact O-N 3.33Å; F427-E530 WeakPolarHBondContact CZ-O 3.48Å; F427-R537 VanDerWaalsContact CG-CZ 3.45Å; F427-R537 VanDerWaalsContact CZ-CD 3.41Å
428	V	83	Confident	74.5	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-45.6	178.2	165.6	0	0	0	0	110.2	V414 T424 K425 Q426 D430 K431 Y432 I523	V414-V428 HydrophobicContact CB-CG1 4.11Å; V414-V428 HydrophobicContact CG1-CB 3.89Å; V414-V428 HydrophobicContact CG1-CG1 3.62Å; V414-V428 HydrophobicContact CG2-CG1 3.44Å; V414-V428 VanDerWaalsContact CG2-CG1 3.44Å; T424-V428 HydrophobicContact CG2-CG2 4.36Å; T424-V428 WeakPolarHBondContact O-CB 3.48Å; T424-V428 VanDerWaalsContact O-CG2 3.25Å; T424-V428 WeakPolarHBondContact O-CG2 3.42Å; T424-V428 PolarHBondContact O-N 2.9Å; K425-V428 PolarHBondContact O-N 3.16Å; K425-V428 VanDerWaalsContact O-N 3.17Å; Q426-V428 VanDerWaalsContact C-N 3.32Å; Q426-V428 PolarHBondContact O-N 2.87Å; V428-D430 PolarHBondContact O-N 2.87Å; V428-K431 WeakPolarHBondContact O-CB 3.32Å; V428-K431 PolarHBondContact O-N 3.42Å; V428-Y432 HydrophobicContact CG1-CD2 4.41Å; V428-Y432 HydrophobicContact CG1-CE2 3.85Å; V428-Y432 WeakPolarHBondContact O-CD2 3.13Å; V428-I523 HydrophobicContact CB-CG2 4.33Å; V428-I523 HydrophobicContact CG1-CB 4.5Å; V428-I523 HydrophobicContact CG1-CD1 4.14Å; V428-I523 HydrophobicContact CG1-CG2 3.75Å; V428-I523 HydrophobicContact CG2-CB 4.25Å; V428-I523 HydrophobicContact CG2-CG2 3.88Å
429	T	82.7	Confident	72.8	Confident	35 Å²	35	61.7 Å²	61.7	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-45.1	175.3	-59	0	0	0	0	111.6	I411 K425 Q426 K431 Y432	I411-T429 HydrophobicContact CG2-CG2 3.93Å; K425-T429 PolarHBondContact O-N 3.49Å; K425-T429 PolarHBondContact O-OG1 3.3Å; K425-T429 VanDerWaalsContact O-OG1 3.13Å; Q426-T429 PolarHBondContact O-N 3.32Å; T429-K431 VanDerWaalsContact C-N 3.3Å; T429-K431 PolarHBondContact O-N 3.16Å; T429-Y432 CarbonylContact O-C 3.56Å; T429-Y432 PolarHBondContact O-N 3.01Å; T429-Y432 VanDerWaalsContact O-N 3.08Å
430	D	74.7	Confident	71.6	Confident	56 Å²	56	65.2 Å²	65.2	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-65.3	-31.5	178.4	-64.2	-15.4	0	0	0	112.6	Q426 F427 V428 Y432	Q426-D430 PolarHBondContact NE2-OD1 3.45Å; Q426-D430 WeakPolarHBondContact O-CB 3.17Å; Q426-D430 PolarHBondContact O-N 2.86Å; F427-D430 PolarHBondContact O-N 3.47Å; V428-D430 PolarHBondContact O-N 2.87Å; D430-Y432 PolarHBondContact O-N 3.46Å
431	K	77.6	Confident	69.8	Low	5 Å²	5	68.1 Å²	68.1	2%	0.022	36%	0.364	C	S	.	.	H	α-helix	trans	-65.6	-17	175.9	-168.4	168.4	-175.3	170.4	0	112.4	F427 V428 T429 P433 Y479 N484 A522 G527 E530	F427-K431 HydrophobicContact CE1-CD 4.21Å; F427-K431 HydrophobicContact CZ-CD 3.98Å; F427-K431 WeakPolarHBondContact O-CB 3.35Å; F427-K431 PolarHBondContact O-N 3.33Å; V428-K431 WeakPolarHBondContact O-CB 3.32Å; V428-K431 PolarHBondContact O-N 3.42Å; T429-K431 VanDerWaalsContact C-N 3.3Å; T429-K431 PolarHBondContact O-N 3.16Å; K431-P433 WeakPolarHBondContact O-CD 3.43Å; K431-Y479 WeakPolarHBondContact CE-OH 3.37Å; K431-N484 WeakPolarHBondContact CE-OD1 3.44Å; K431-A522 WeakPolarHBondContact CD-O 3.37Å; K431-A522 VanDerWaalsContact CE-O 3.3Å; K431-A522 WeakPolarHBondContact CE-O 3.42Å; K431-A522 PolarHBondContact NZ-O 3.02Å; K431-G527 PolarHBondContact NZ-O 2.81Å; K431-E530 PolarHBondContact NZ-O 2.89Å
432	Y	70.1	Confident	68.1	Low	11 Å²	11	66.6 Å²	66.6	4%	0.043	36%	0.356	C	S	.	.	S	Bend	trans	-101.2	71.9	167	-58.4	-70	0	0	0	110.2	R407 I410 I411 V428 T429 D430 I434 F519 I523	R407-Y432 HydrophobicContact CG-CD1 4.05Å; R407-Y432 HydrophobicContact CG-CG 4.25Å; R407-Y432 PolarHBondContact NH2-O 3.38Å; I410-Y432 HydrophobicContact CG2-CD2 4.38Å; I410-Y432 HydrophobicContact CG2-CE2 3.55Å; I411-Y432 HydrophobicContact CG1-CD2 4.14Å; I411-Y432 HydrophobicContact CG1-CG 4.4Å; V428-Y432 HydrophobicContact CG1-CD2 4.41Å; V428-Y432 HydrophobicContact CG1-CE2 3.85Å; V428-Y432 WeakPolarHBondContact O-CD2 3.13Å; T429-Y432 CarbonylContact O-C 3.56Å; T429-Y432 PolarHBondContact O-N 3.01Å; T429-Y432 VanDerWaalsContact O-N 3.08Å; D430-Y432 PolarHBondContact O-N 3.46Å; Y432-I434 VanDerWaalsContact C-N 3.27Å; Y432-I434 PolarHBondContact O-N 3.19Å; Y432-F519 HydrophobicContact CD1-CD1 4.26Å; Y432-F519 HydrophobicContact CD1-CE1 4.03Å; Y432-F519 AromaticContact CE1-CD1 3.52Å; Y432-F519 HydrophobicContact CE1-CD1 3.52Å; Y432-F519 AromaticContact CE1-CE1 3.77Å; Y432-F519 HydrophobicContact CE1-CE1 3.77Å; Y432-F519 HydrophobicContact CE1-CG 4.42Å; Y432-F519 PolarHBondContact OH-O 3.47Å; Y432-I523 HydrophobicContact CE2-CG2 4.23Å
433	P	54.8	Low	66.6	Low	42 Å²	42	65.6 Å²	65.6	27%	0.273	35%	0.351	S	S	.	.			trans	-69.2	20.9	-164.6	32.9	-42.4	0	0	0	119	K431 N442 Y445	K431-P433 WeakPolarHBondContact O-CD 3.43Å; P433-N442 PolarHBondContact O-OD1 3.49Å; P433-Y445 HydrophobicContact CB-CD1 4.34Å; P433-Y445 HydrophobicContact CB-CD2 3.67Å; P433-Y445 HydrophobicContact CB-CE2 4.13Å; P433-Y445 HydrophobicContact CB-CG 3.8Å
434	I	55.4	Low	65.4	Low	86 Å²	86	67.6 Å²	67.6	44%	0.441	35%	0.353	S	S	.	.			trans	-118.2	104.8	176.3	-56.5	-178.1	0	0	0	105.9	R407 Y432 N442	R407-I434 VanDerWaalsContact CZ-CB 3.48Å; R407-I434 VanDerWaalsContact NH1-CD1 3.35Å; Y432-I434 VanDerWaalsContact C-N 3.27Å; Y432-I434 PolarHBondContact O-N 3.19Å; I434-N442 WeakPolarHBondContact CA-OD1 3.26Å
435	N	49.9	Very low	64	Low	71 Å²	71	69.5 Å²	69.5	38%	0.38	36%	0.36	S	S	.	.			trans	-108.2	123.5	169	-178.9	-3.6	0	0	0	108	E437 D438 N442	N435-E437 PolarHBondContact O-N 2.93Å; N435-E437 PolarHBondContact OD1-N 2.05Å; N435-E437 VanDerWaalsContact OD1-N 3.15Å; N435-D438 HydrophobicContact CB-CB 4.2Å; N435-D438 PolarHBondContact ND2-OD2 3.42Å; N435-D438 PolarHBondContact O-N 3.43Å; N435-N442 PolarHBondContact N-OD1 2.96Å; N435-N442 PolarHBondContact O-ND2 3.42Å; N435-N442 PolarHBondContact O-OD1 2.95Å
436	A	53	Low	62.4	Low	104 Å²	104	70.3 Å²	70.3	86%	0.86	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.8	-178.5	0	0	0	0	0	113.6
437	E	55.6	Low	61	Low	175 Å²	175	69.9 Å²	69.9	82%	0.818	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-20.6	-177.2	-60.7	-174.9	174.5	0	0	113.8	N435 H439	N435-E437 PolarHBondContact O-N 2.93Å; N435-E437 PolarHBondContact OD1-N 2.05Å; N435-E437 VanDerWaalsContact OD1-N 3.15Å; E437-H439 PolarHBondContact O-N 3.07Å
438	D	54	Low	59.7	Low	69 Å²	69	71.8 Å²	71.8	37%	0.369	38%	0.378	S	S	.	.			trans	-105.4	65.1	-171	-65.8	-43.5	0	0	0	113.2	N435 V440 L441 N442	N435-D438 HydrophobicContact CB-CB 4.2Å; N435-D438 PolarHBondContact ND2-OD2 3.42Å; N435-D438 PolarHBondContact O-N 3.43Å; D438-V440 VanDerWaalsContact C-N 3.31Å; D438-V440 PolarHBondContact O-N 3.13Å; D438-L441 HydrophobicContact CB-CB 3.84Å; D438-L441 HydrophobicContact CB-CD2 4.45Å; D438-L441 PolarHBondContact O-N 3.01Å; D438-L441 VanDerWaalsContact O-N 3.12Å; D438-N442 WeakPolarHBondContact O-CB 3.47Å; D438-N442 VanDerWaalsContact O-CG 3.23Å; D438-N442 PolarHBondContact O-N 3.16Å; D438-N442 PolarHBondContact O-ND2 3.05Å
439	H	50.6	Low	58.3	Low	140 Å²	140	74.2 Å²	74.2	65%	0.648	40%	0.397	S	S	*	.	H	α-helix	trans	-52.6	-43.9	-177.3	-179.1	58.8	0	0	0	113.8	E437 E443	E437-H439 PolarHBondContact O-N 3.07Å; H439-E443 WeakPolarHBondContact O-CB 3.2Å; H439-E443 PolarHBondContact O-N 3.23Å
440	V	59.5	Low	57	Low	123 Å²	123	77 Å²	77	75%	0.745	41%	0.41	S	S	*	.	H	α-helix	trans	-66.3	-39.5	-179.3	178	0	0	0	0	111.8	D438 E443 Y444	D438-V440 VanDerWaalsContact C-N 3.31Å; D438-V440 PolarHBondContact O-N 3.13Å; V440-E443 PolarHBondContact O-N 2.88Å; V440-Y444 PolarHBondContact O-N 2.91Å
441	L	48.5	Very low	56.1	Low	70 Å²	70	77.5 Å²	77.5	37%	0.366	42%	0.417	S	S	.	.	H	α-helix	trans	-74.2	-39.8	-179.5	-169.7	63.5	0	0	0	111	D438 E443 Y444 Y445	D438-L441 HydrophobicContact CB-CB 3.84Å; D438-L441 HydrophobicContact CB-CD2 4.45Å; D438-L441 PolarHBondContact O-N 3.01Å; D438-L441 VanDerWaalsContact O-N 3.12Å; L441-E443 VanDerWaalsContact C-N 3.32Å; L441-E443 PolarHBondContact O-N 3.47Å; L441-Y444 HydrophobicContact CD1-CD1 4.46Å; L441-Y444 WeakPolarHBondContact O-CB 3.39Å; L441-Y444 PolarHBondContact O-N 3.08Å; L441-Y445 HydrophobicContact CD1-CD2 4.37Å; L441-Y445 HydrophobicContact CD1-CE2 3.78Å; L441-Y445 HydrophobicContact CD2-CE2 3.76Å; L441-Y445 HydrophobicContact CG-CD2 3.87Å; L441-Y445 HydrophobicContact CG-CE2 3.38Å; L441-Y445 WeakPolarHBondContact O-CD2 3.4Å; L441-Y445 PolarHBondContact O-N 3.19Å
442	N	49.5	Very low	55	Low	33 Å²	33	79.6 Å²	79.6	18%	0.176	43%	0.433	C	S	.	.	H	α-helix	trans	-57.7	-44.5	171.1	-68.3	-19.2	0	0	0	111.3	P433 I434 N435 D438 Y445 A446	P433-N442 PolarHBondContact O-OD1 3.49Å; I434-N442 WeakPolarHBondContact CA-OD1 3.26Å; N435-N442 PolarHBondContact N-OD1 2.96Å; N435-N442 PolarHBondContact O-ND2 3.42Å; N435-N442 PolarHBondContact O-OD1 2.95Å; D438-N442 WeakPolarHBondContact O-CB 3.47Å; D438-N442 VanDerWaalsContact O-CG 3.23Å; D438-N442 PolarHBondContact O-N 3.16Å; D438-N442 PolarHBondContact O-ND2 3.05Å; N442-Y445 PolarHBondContact O-N 3.47Å; N442-A446 VanDerWaalsContact O-CB 3.24Å; N442-A446 WeakPolarHBondContact O-CB 3.35Å; N442-A446 PolarHBondContact O-N 3.08Å
443	E	57.1	Low	54.2	Low	108 Å²	108	80.1 Å²	80.1	51%	0.505	44%	0.436	S	S	.	.	H	α-helix	trans	-66.1	-39.3	178.2	-164.2	65.2	-161.8	0	0	111.3	H439 V440 L441 A446 Q447	H439-E443 WeakPolarHBondContact O-CB 3.2Å; H439-E443 PolarHBondContact O-N 3.23Å; V440-E443 PolarHBondContact O-N 2.88Å; L441-E443 VanDerWaalsContact C-N 3.32Å; L441-E443 PolarHBondContact O-N 3.47Å; E443-A446 PolarHBondContact O-N 3.43Å; E443-Q447 VanDerWaalsContact O-CB 3.24Å; E443-Q447 WeakPolarHBondContact O-CB 3.37Å; E443-Q447 PolarHBondContact O-N 3.07Å
444	Y	60.1	Low	54	Low	135 Å²	135	84.9 Å²	84.9	53%	0.529	45%	0.452	S	S	.	.	H	α-helix	trans	-61	-47.2	172.1	171.4	-96.1	0	0	0	112.1	V440 L441 Q447 K448	V440-Y444 PolarHBondContact O-N 2.91Å; L441-Y444 HydrophobicContact CD1-CD1 4.46Å; L441-Y444 WeakPolarHBondContact O-CB 3.39Å; L441-Y444 PolarHBondContact O-N 3.08Å; Y444-Q447 PolarHBondContact O-N 3.2Å; Y444-K448 HydrophobicContact CE1-CD 4.32Å; Y444-K448 VanDerWaalsContact O-CB 3.31Å; Y444-K448 WeakPolarHBondContact O-CB 3.3Å; Y444-K448 PolarHBondContact O-N 3.42Å
445	Y	54.1	Low	54	Low	42 Å²	42	86.3 Å²	86.3	17%	0.165	46%	0.46	C	S	.	.	H	α-helix	trans	-66.4	-39.8	177.3	-72.2	-52.8	0	0	0	112	P433 L441 N442 K448 A449 F532	P433-Y445 HydrophobicContact CB-CD1 4.34Å; P433-Y445 HydrophobicContact CB-CD2 3.67Å; P433-Y445 HydrophobicContact CB-CE2 4.13Å; P433-Y445 HydrophobicContact CB-CG 3.8Å; L441-Y445 HydrophobicContact CD1-CD2 4.37Å; L441-Y445 HydrophobicContact CD1-CE2 3.78Å; L441-Y445 HydrophobicContact CD2-CE2 3.76Å; L441-Y445 HydrophobicContact CG-CD2 3.87Å; L441-Y445 HydrophobicContact CG-CE2 3.38Å; L441-Y445 WeakPolarHBondContact O-CD2 3.4Å; L441-Y445 PolarHBondContact O-N 3.19Å; N442-Y445 PolarHBondContact O-N 3.47Å; Y445-K448 PolarHBondContact O-N 2.9Å; Y445-A449 WeakPolarHBondContact O-CB 3.32Å; Y445-A449 PolarHBondContact O-N 3.49Å; Y445-F532 HydrophobicContact CD1-CE2 4.39Å; Y445-F532 HydrophobicContact CE1-CE2 4.29Å; Y445-F532 HydrophobicContact CE1-CZ 4.35Å
446	A	54.4	Low	54	Low	40 Å²	40	87 Å²	87	33%	0.331	46%	0.457	S	S	.	.	H	α-helix	trans	-60.3	-47	173.1	0	0	0	0	0	110.4	N442 E443 A449 I450	N442-A446 VanDerWaalsContact O-CB 3.24Å; N442-A446 WeakPolarHBondContact O-CB 3.35Å; N442-A446 PolarHBondContact O-N 3.08Å; E443-A446 PolarHBondContact O-N 3.43Å; A446-A449 PolarHBondContact O-N 2.89Å; A446-I450 VanDerWaalsContact O-CB 3.32Å; A446-I450 WeakPolarHBondContact O-CB 3.28Å; A446-I450 WeakPolarHBondContact O-CD1 3.49Å; A446-I450 WeakPolarHBondContact O-CG1 3.47Å; A446-I450 PolarHBondContact O-N 3.24Å
447	Q	54.1	Low	53.7	Low	98 Å²	98	87.9 Å²	87.9	46%	0.458	44%	0.438	S	S	.	.	H	α-helix	trans	-66.2	-40.6	178.5	-172.7	57.9	53.1	0	0	112.2	E443 Y444 I450 C451	E443-Q447 VanDerWaalsContact O-CB 3.24Å; E443-Q447 WeakPolarHBondContact O-CB 3.37Å; E443-Q447 PolarHBondContact O-N 3.07Å; Y444-Q447 PolarHBondContact O-N 3.2Å; Q447-I450 PolarHBondContact O-N 3.2Å; Q447-C451 PolarHBondContact NE2-SG 3.22Å; Q447-C451 VanDerWaalsContact NE2-SG 3.4Å; Q447-C451 VanDerWaalsContact O-CB 3.32Å; Q447-C451 WeakPolarHBondContact O-CB 3.28Å; Q447-C451 PolarHBondContact O-N 3.18Å; Q447-C451 PolarHBondContact O-SG 3.37Å; Q447-C451 VanDerWaalsContact O-SG 3.39Å
448	K	55.6	Low	53.4	Low	63 Å²	63	83.1 Å²	83.1	27%	0.274	42%	0.424	S	S	.	.	H	α-helix	trans	-65.8	-41.4	174.5	-177.4	175.9	173.7	-179.2	0	111.4	Y444 Y445 C451 S452 F532 N533	Y444-K448 HydrophobicContact CE1-CD 4.32Å; Y444-K448 VanDerWaalsContact O-CB 3.31Å; Y444-K448 WeakPolarHBondContact O-CB 3.3Å; Y444-K448 PolarHBondContact O-N 3.42Å; Y445-K448 PolarHBondContact O-N 2.9Å; K448-C451 PolarHBondContact O-N 3.12Å; K448-S452 VanDerWaalsContact O-CB 3.31Å; K448-S452 WeakPolarHBondContact O-CB 3.25Å; K448-S452 PolarHBondContact O-N 2.66Å; K448-S452 PolarHBondContact O-OG 2.78Å; K448-F532 HydrophobicContact CD-CE2 3.95Å; K448-F532 HydrophobicContact CD-CZ 4.42Å; K448-F532 VanDerWaalsContact NZ-CE2 3.27Å; K448-N533 WeakPolarHBondContact CE-OD1 3.47Å; K448-N533 PolarHBondContact NZ-ND2 3.39Å
449	A	53.4	Low	53.3	Low	52 Å²	52	84.5 Å²	84.5	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-64.9	-42.4	174.3	0	0	0	0	0	110.9	Y445 A446 S452 E453	Y445-A449 WeakPolarHBondContact O-CB 3.32Å; Y445-A449 PolarHBondContact O-N 3.49Å; A446-A449 PolarHBondContact O-N 2.89Å; A449-S452 PolarHBondContact O-N 3.24Å; A449-E453 WeakPolarHBondContact O-CA 3.47Å; A449-E453 WeakPolarHBondContact O-CB 3.46Å; A449-E453 WeakPolarHBondContact O-CG 3.5Å; A449-E453 PolarHBondContact O-N 3.42Å
450	I	54.1	Low	53.2	Low	95 Å²	95	79.7 Å²	79.7	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-62.5	-42.8	173	-71.9	163.3	0	0	0	110.6	A446 Q447 E453 K454	A446-I450 VanDerWaalsContact O-CB 3.32Å; A446-I450 WeakPolarHBondContact O-CB 3.28Å; A446-I450 WeakPolarHBondContact O-CD1 3.49Å; A446-I450 WeakPolarHBondContact O-CG1 3.47Å; A446-I450 PolarHBondContact O-N 3.24Å; Q447-I450 PolarHBondContact O-N 3.2Å; I450-E453 CarbonylContact O-C 3.18Å; I450-E453 PolarHBondContact O-N 2.78Å; I450-K454 WeakPolarHBondContact O-CA 3.35Å; I450-K454 WeakPolarHBondContact O-CB 3.44Å; I450-K454 PolarHBondContact O-N 3.34Å
451	C	56.7	Low	52.3	Low	65 Å²	65	81 Å²	81	44%	0.439	40%	0.404	S	S	.	.	H	α-helix	trans	-68.1	-44.2	178	-80.9	0	0	0	0	111.8	Q447 K448 E453 K454 L455	Q447-C451 PolarHBondContact NE2-SG 3.22Å; Q447-C451 VanDerWaalsContact NE2-SG 3.4Å; Q447-C451 VanDerWaalsContact O-CB 3.32Å; Q447-C451 WeakPolarHBondContact O-CB 3.28Å; Q447-C451 PolarHBondContact O-N 3.18Å; Q447-C451 PolarHBondContact O-SG 3.37Å; Q447-C451 VanDerWaalsContact O-SG 3.39Å; K448-C451 PolarHBondContact O-N 3.12Å; C451-E453 VanDerWaalsContact C-N 3.34Å; C451-K454 PolarHBondContact O-N 2.88Å; C451-L455 VanDerWaalsContact O-CB 3.29Å; C451-L455 WeakPolarHBondContact O-CB 3.41Å; C451-L455 PolarHBondContact O-N 3.11Å
452	S	55.2	Low	52.2	Low	50 Å²	50	78.7 Å²	78.7	35%	0.35	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-43.4	174.4	-56.5	0	0	0	0	110.1	K448 A449 R456	K448-S452 VanDerWaalsContact O-CB 3.31Å; K448-S452 WeakPolarHBondContact O-CB 3.25Å; K448-S452 PolarHBondContact O-N 2.66Å; K448-S452 PolarHBondContact O-OG 2.78Å; A449-S452 PolarHBondContact O-N 3.24Å; S452-R456 WeakPolarHBondContact O-CA 3.36Å; S452-R456 WeakPolarHBondContact O-CB 3.46Å; S452-R456 PolarHBondContact O-N 3.14Å
453	E	52	Low	51.8	Low	22 Å²	22	78.4 Å²	78.4	10%	0.103	40%	0.399	C	S	.	.	H	α-helix	trans	-65.4	-35.8	171.7	-88.6	-65.5	122.7	0	0	112.3	A449 I450 C451 R456 R457 R485	A449-E453 WeakPolarHBondContact O-CA 3.47Å; A449-E453 WeakPolarHBondContact O-CB 3.46Å; A449-E453 WeakPolarHBondContact O-CG 3.5Å; A449-E453 PolarHBondContact O-N 3.42Å; I450-E453 CarbonylContact O-C 3.18Å; I450-E453 PolarHBondContact O-N 2.78Å; C451-E453 VanDerWaalsContact C-N 3.34Å; E453-R456 CarbonylContact O-C 3.15Å; E453-R457 VanDerWaalsContact O-CA 3.25Å; E453-R457 WeakPolarHBondContact O-CA 3.31Å; E453-R457 WeakPolarHBondContact O-CB 3.15Å; E453-R457 WeakPolarHBondContact O-CD 3.5Å; E453-R457 WeakPolarHBondContact O-CG 3.38Å; E453-R457 PolarHBondContact O-N 3.48Å; E453-R457 IonicContact OE2-CZ 3.06Å; E453-R457 IonicContact OE2-NE 3.87Å; E453-R457 PolarHBondContact OE2-NE 2.88Å; E453-R457 VanDerWaalsContact OE2-NE 3.15Å; E453-R457 IonicContact OE2-NH2 3.98Å; E453-R485 IonicContact OE1-CZ 3.73Å; E453-R485 IonicContact OE1-NH1 3.84Å; E453-R485 PolarHBondContact OE1-NH1 3.44Å; E453-R485 IonicContact OE1-NH2 3.91Å; E453-R485 PolarHBondContact OE1-NH2 3.24Å
454	K	52.1	Low	50.8	Low	142 Å²	142	81.7 Å²	81.7	62%	0.617	41%	0.412	S	S	*	.	H	α-helix	trans	-75	-36.1	179.5	-175	-179.5	179.1	-176.5	0	110.8	I450 C451 R457 S458	I450-K454 WeakPolarHBondContact O-CA 3.35Å; I450-K454 WeakPolarHBondContact O-CB 3.44Å; I450-K454 PolarHBondContact O-N 3.34Å; C451-K454 PolarHBondContact O-N 2.88Å; K454-R457 CarbonylContact O-C 3.26Å; K454-S458 VanDerWaalsContact O-CB 3.22Å; K454-S458 WeakPolarHBondContact O-CB 3.37Å; K454-S458 PolarHBondContact O-N 3.25Å; K454-S458 PolarHBondContact O-OG 2.87Å
455	L	53.7	Low	49.9	Very low	115 Å²	115	81.7 Å²	81.7	60%	0.602	43%	0.426	S	S	*	.	H	α-helix	trans	-68.7	-50.1	171.6	-179.9	62.2	0	0	0	109.5	C451 R457 S458 I459	C451-L455 VanDerWaalsContact O-CB 3.29Å; C451-L455 WeakPolarHBondContact O-CB 3.41Å; C451-L455 PolarHBondContact O-N 3.11Å; L455-R457 VanDerWaalsContact C-N 3.3Å; L455-R457 PolarHBondContact O-N 2.97Å; L455-S458 CarbonylContact O-C 3.56Å; L455-S458 WeakPolarHBondContact O-CA 3.05Å; L455-S458 WeakPolarHBondContact O-CB 3.01Å; L455-S458 PolarHBondContact O-N 3Å; L455-I459 HydrophobicContact CD1-CD1 4.25Å; L455-I459 HydrophobicContact CG-CD1 4.04Å; L455-I459 WeakPolarHBondContact O-CB 3.36Å; L455-I459 VanDerWaalsContact O-CG1 3.26Å; L455-I459 WeakPolarHBondContact O-CG1 3.28Å; L455-I459 PolarHBondContact O-N 2.63Å
456	R	51.3	Low	49.4	Very low	85 Å²	85	83.5 Å²	83.5	32%	0.321	45%	0.445	S	S	.	.	H	α-helix	trans	-61	-37	174.2	-167.9	-177	-179.4	96	17	111.5	S452 E453 I459 K460	S452-R456 WeakPolarHBondContact O-CA 3.36Å; S452-R456 WeakPolarHBondContact O-CB 3.46Å; S452-R456 PolarHBondContact O-N 3.14Å; E453-R456 CarbonylContact O-C 3.15Å; R456-I459 CarbonylContact O-C 3.51Å; R456-K460 HydrophobicContact CG-CD 3.88Å; R456-K460 WeakPolarHBondContact O-CA 3.07Å; R456-K460 WeakPolarHBondContact O-CB 3.38Å; R456-K460 WeakPolarHBondContact O-CG 3.49Å; R456-K460 PolarHBondContact O-N 3.45Å
457	R	47	Very low	48.9	Very low	123 Å²	123	86 Å²	86	46%	0.464	45%	0.452	S	S	.	.	H	α-helix	trans	-75.5	-19.2	169.7	-74.8	171.1	-173	-161.2	-3.4	112.8	E453 K454 L455 K461	E453-R457 VanDerWaalsContact O-CA 3.25Å; E453-R457 WeakPolarHBondContact O-CA 3.31Å; E453-R457 WeakPolarHBondContact O-CB 3.15Å; E453-R457 WeakPolarHBondContact O-CD 3.5Å; E453-R457 WeakPolarHBondContact O-CG 3.38Å; E453-R457 PolarHBondContact O-N 3.48Å; E453-R457 IonicContact OE2-CZ 3.06Å; E453-R457 IonicContact OE2-NE 3.87Å; E453-R457 PolarHBondContact OE2-NE 2.88Å; E453-R457 VanDerWaalsContact OE2-NE 3.15Å; E453-R457 IonicContact OE2-NH2 3.98Å; K454-R457 CarbonylContact O-C 3.26Å; L455-R457 VanDerWaalsContact C-N 3.3Å; L455-R457 PolarHBondContact O-N 2.97Å; R457-K461 VanDerWaalsContact O-CA 3.23Å; R457-K461 WeakPolarHBondContact O-CA 3.44Å; R457-K461 WeakPolarHBondContact O-CB 3.24Å; R457-K461 WeakPolarHBondContact O-CG 3.23Å; R457-K461 PolarHBondContact O-N 2.83Å
458	S	49.2	Very low	48.8	Very low	75 Å²	75	83.4 Å²	83.4	52%	0.524	44%	0.438	S	S	.	.	H	α-helix	trans	-82.2	-39.1	171.2	-64.2	0	0	0	0	109.3	K454 L455 K460 A462	K454-S458 VanDerWaalsContact O-CB 3.22Å; K454-S458 WeakPolarHBondContact O-CB 3.37Å; K454-S458 PolarHBondContact O-N 3.25Å; K454-S458 PolarHBondContact O-OG 2.87Å; L455-S458 CarbonylContact O-C 3.56Å; L455-S458 WeakPolarHBondContact O-CA 3.05Å; L455-S458 WeakPolarHBondContact O-CB 3.01Å; L455-S458 PolarHBondContact O-N 3Å; S458-K460 VanDerWaalsContact C-N 3.31Å; S458-A462 PolarHBondContact O-N 3.21Å
459	I	51.8	Low	49.2	Very low	99 Å²	99	86 Å²	86	51%	0.508	46%	0.455	S	S	.	.	H	α-helix	trans	-65.5	-34.1	167.1	-62	165.3	0	0	0	110.5	L455 R456	L455-I459 HydrophobicContact CD1-CD1 4.25Å; L455-I459 HydrophobicContact CG-CD1 4.04Å; L455-I459 WeakPolarHBondContact O-CB 3.36Å; L455-I459 VanDerWaalsContact O-CG1 3.26Å; L455-I459 WeakPolarHBondContact O-CG1 3.28Å; L455-I459 PolarHBondContact O-N 2.63Å; R456-I459 CarbonylContact O-C 3.51Å
460	K	48.8	Very low	50.2	Low	39 Å²	39	85.6 Å²	85.6	17%	0.17	45%	0.448	C	S	.	.	H	α-helix	trans	-87.9	-38.5	178.8	-79.2	169.3	-172.2	-120.2	0	114.7	R456 S458 A462 G463 L467	R456-K460 HydrophobicContact CG-CD 3.88Å; R456-K460 WeakPolarHBondContact O-CA 3.07Å; R456-K460 WeakPolarHBondContact O-CB 3.38Å; R456-K460 WeakPolarHBondContact O-CG 3.49Å; R456-K460 PolarHBondContact O-N 3.45Å; S458-K460 VanDerWaalsContact C-N 3.31Å; K460-A462 PolarHBondContact O-N 3.19Å; K460-G463 CarbonylContact O-C 3.52Å; K460-G463 WeakPolarHBondContact O-CA 3.49Å; K460-G463 PolarHBondContact O-N 2.67Å; K460-L467 HydrophobicContact CD-CD2 3.7Å
461	K	40.1	Very low	51.7	Low	151 Å²	151	81.7 Å²	81.7	66%	0.657	43%	0.429	S	S	*	.	H	α-helix	trans	-71.7	-13.9	178.8	-85.5	176.6	158.6	-179.5	0	112.3	R457 G463	R457-K461 VanDerWaalsContact O-CA 3.23Å; R457-K461 WeakPolarHBondContact O-CA 3.44Å; R457-K461 WeakPolarHBondContact O-CB 3.24Å; R457-K461 WeakPolarHBondContact O-CG 3.23Å; R457-K461 PolarHBondContact O-N 2.83Å; K461-G463 PolarHBondContact O-N 3.48Å
462	A	45.4	Very low	53.3	Low	20 Å²	20	79.8 Å²	79.8	17%	0.165	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-37.5	159.1	0	0	0	0	0	109.7	F294 N296 S458 K460	F294-A462 WeakPolarHBondContact CE2-O 3.29Å; F294-A462 WeakPolarHBondContact CZ-O 3.45Å; N296-A462 WeakPolarHBondContact CB-O 3.47Å; N296-A462 PolarHBondContact ND2-O 3.14Å; N296-A462 VanDerWaalsContact ND2-O 3.16Å; S458-A462 PolarHBondContact O-N 3.21Å; K460-A462 PolarHBondContact O-N 3.19Å
463	G	41.8	Very low	55.2	Low	27 Å²	27	77.6 Å²	77.6	28%	0.278	40%	0.4	S	S	.	.	S	Bend	trans	-100	82.5	173.1	0	0	0	0	0	116	K460 K461 T465	K460-G463 CarbonylContact O-C 3.52Å; K460-G463 WeakPolarHBondContact O-CA 3.49Å; K460-G463 PolarHBondContact O-N 2.67Å; K461-G463 PolarHBondContact O-N 3.48Å; G463-T465 PolarHBondContact O-N 2.64Å
464	K	36.5	Very low	57.1	Low	178 Å²	178	78.5 Å²	78.5	77%	0.774	41%	0.405	S	S	*	.			trans	-69.7	93	174.2	-79.2	-174.2	178.4	179.9	0	111.6
465	T	40.2	Very low	59.2	Low	135 Å²	135	72.4 Å²	72.4	83%	0.828	38%	0.38	S	S	*	.	S	Bend	trans	-164.6	136.2	147.3	12.9	0	0	0	0	108.8	G463	G463-T465 PolarHBondContact O-N 2.64Å
466	S	43.6	Very low	61	Low	80 Å²	80	71 Å²	71	56%	0.559	37%	0.37	S	S	*	.			trans	0.7	131.5	176	-167.9	0	0	0	0	118.6	R468	S466-R468 PolarHBondContact O-N 3.25Å; S466-R468 WeakPolarHBondContact OG-CB 3.36Å; S466-R468 PolarHBondContact OG-N 3.41Å
467	L	44.4	Very low	63	Low	91 Å²	91	68 Å²	68	48%	0.476	36%	0.364	S	S	.	.	S	Bend	trans	-61	8.3	169.6	-84.3	170.2	0	0	0	114.5	K460	K460-L467 HydrophobicContact CD-CD2 3.7Å
468	R	51.7	Low	65	Low	45 Å²	45	65 Å²	65	17%	0.17	35%	0.353	C	S	.	.			trans	-132.8	115.3	-161.7	-166	172.5	-176.1	-139.2	-13.8	112.1	E383 S466 S470 P471 T472 F489	E383-R468 IonicContact OE1-CZ 2.76Å; E383-R468 IonicContact OE1-NH1 2.81Å; E383-R468 PolarHBondContact OE1-NH1 3.47Å; S466-R468 PolarHBondContact O-N 3.25Å; S466-R468 WeakPolarHBondContact OG-CB 3.36Å; S466-R468 PolarHBondContact OG-N 3.41Å; R468-S470 VanDerWaalsContact C-N 3.3Å; R468-S470 VanDerWaalsContact CD-O 3.32Å; R468-S470 WeakPolarHBondContact CD-O 2.83Å; R468-S470 WeakPolarHBondContact CG-O 3.33Å; R468-S470 PolarHBondContact NE-O 3.41Å; R468-S470 PolarHBondContact NH2-O 2.92Å; R468-S470 PolarHBondContact O-N 2.98Å; R468-P471 PolarHBondContact NH2-O 3.08Å; R468-P471 VanDerWaalsContact NH2-O 3.09Å; R468-T472 VanDerWaalsContact CZ-CB 3.47Å; R468-T472 VanDerWaalsContact NH1-CA 3.31Å; R468-T472 PolarHBondContact NH1-OG1 3.46Å; R468-T472 VanDerWaalsContact NH2-CB 3.27Å; R468-F489 VanDerWaalsContact NH2-CD2 3.25Å; R468-F489 VanDerWaalsContact NH2-CZ 3.32Å
469	D	63.5	Low	66.8	Low	118 Å²	118	62.6 Å²	62.6	63%	0.631	33%	0.333	S	S	*	.	S	Bend	trans	-80.9	-11.5	-175.3	-47.9	-40.3	0	0	0	112.3
470	S	74.6	Confident	68.1	Low	42 Å²	42	60.4 Å²	60.4	29%	0.294	32%	0.322	S	S	.	.	S	Bend	trans	-151.6	145.8	-176.7	-71.6	0	0	0	0	113.5	R468	R468-S470 VanDerWaalsContact C-N 3.3Å; R468-S470 VanDerWaalsContact CD-O 3.32Å; R468-S470 WeakPolarHBondContact CD-O 2.83Å; R468-S470 WeakPolarHBondContact CG-O 3.33Å; R468-S470 PolarHBondContact NE-O 3.41Å; R468-S470 PolarHBondContact NH2-O 2.92Å; R468-S470 PolarHBondContact O-N 2.98Å
471	P	85.6	Confident	69.4	Low	13 Å²	13	60.2 Å²	60.2	8%	0.084	32%	0.324	C	S	.	.			trans	-78.2	154.3	-172	30	-36.8	0	0	0	117.9	P379 W380 E383 R468 Y473 L474 F489	P379-P471 HydrophobicContact CB-CB 4.19Å; P379-P471 HydrophobicContact CB-CG 3.94Å; W380-P471 HydrophobicContact CE3-CB 4.23Å; W380-P471 HydrophobicContact CZ3-CB 3.8Å; E383-P471 HydrophobicContact CB-CB 4.45Å; R468-P471 PolarHBondContact NH2-O 3.08Å; R468-P471 VanDerWaalsContact NH2-O 3.09Å; P471-Y473 HydrophobicContact CB-CD1 3.7Å; P471-Y473 HydrophobicContact CB-CE1 3.33Å; P471-Y473 HydrophobicContact CB-CE2 4.5Å; P471-Y473 HydrophobicContact CB-CG 4.46Å; P471-Y473 HydrophobicContact CG-CD1 4.12Å; P471-Y473 HydrophobicContact CG-CE1 3.42Å; P471-Y473 VanDerWaalsContact CG-CE1 3.42Å; P471-Y473 HydrophobicContact CG-CE2 3.88Å; P471-Y473 WeakPolarHBondContact CG-OH 3.14Å; P471-L474 HydrophobicContact CG-CD1 4.44Å; P471-L474 HydrophobicContact CG-CG 4.48Å; P471-L474 PolarHBondContact O-N 2.85Å; P471-F489 WeakPolarHBondContact O-CD2 3.5Å; P471-F489 WeakPolarHBondContact O-CE2 3.43Å
472	T	90.9	Very high	70.6	Confident	26 Å²	26	57.2 Å²	57.2	16%	0.16	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-18.4	-97	174.5	62.1	0	0	0	0	118.3	E383 R468 L474 F489 A490 G491	E383-T472 VanDerWaalsContact OE1-CA 3.28Å; E383-T472 WeakPolarHBondContact OE1-CA 3.49Å; E383-T472 PolarHBondContact OE1-N 3.44Å; E383-T472 PolarHBondContact OE1-OG1 2.9Å; R468-T472 VanDerWaalsContact CZ-CB 3.47Å; R468-T472 VanDerWaalsContact NH1-CA 3.31Å; R468-T472 PolarHBondContact NH1-OG1 3.46Å; R468-T472 VanDerWaalsContact NH2-CB 3.27Å; T472-L474 PolarHBondContact O-N 2.69Å; T472-F489 HydrophobicContact CG2-CB 4.33Å; T472-F489 HydrophobicContact CG2-CG 4.3Å; T472-F489 WeakPolarHBondContact O-CB 3.44Å; T472-F489 WeakPolarHBondContact O-CD2 3.39Å; T472-A490 HydrophobicContact CG2-CB 3.96Å; T472-A490 PolarHBondContact O-N 3.07Å; T472-G491 PolarHBondContact O-N 3.42Å
473	Y	94.6	Very high	71.7	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.016	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn		77.5	-96.3	103.1	138.1	-104	0	0	0	116.6	T85 F89 K375 P379 L382 E383 P471 G491	T85-Y473 HydrophobicContact CG2-CD2 3.9Å; T85-Y473 HydrophobicContact CG2-CG 4.29Å; F89-Y473 HydrophobicContact CE2-CD1 4.08Å; F89-Y473 AromaticContact CE2-CD2 3.53Å; F89-Y473 HydrophobicContact CE2-CD2 3.53Å; F89-Y473 HydrophobicContact CE2-CE1 4.21Å; F89-Y473 AromaticContact CE2-CE2 3.74Å; F89-Y473 HydrophobicContact CE2-CE2 3.74Å; F89-Y473 AromaticContact CE2-CG 3.71Å; F89-Y473 HydrophobicContact CE2-CG 3.71Å; F89-Y473 AromaticContact CZ-CD1 3.54Å; F89-Y473 HydrophobicContact CZ-CD1 3.54Å; F89-Y473 AromaticContact CZ-CD2 3.72Å; F89-Y473 HydrophobicContact CZ-CD2 3.72Å; F89-Y473 HydrophobicContact CZ-CE1 4.02Å; F89-Y473 HydrophobicContact CZ-CE2 4.21Å; F89-Y473 AromaticContact CZ-CG 3.35Å; F89-Y473 HydrophobicContact CZ-CG 3.35Å; K375-Y473 WeakPolarHBondContact CB-OH 3.42Å; K375-Y473 HydrophobicContact CD-CE2 3.84Å; K375-Y473 HydrophobicContact CG-CE2 4.21Å; K375-Y473 PolarHBondContact O-OH 3.01Å; P379-Y473 WeakPolarHBondContact O-CE1 3.42Å; L382-Y473 HydrophobicContact CB-CD1 4.38Å; L382-Y473 HydrophobicContact CB-CE1 3.97Å; E383-Y473 HydrophobicContact CB-CD1 3.94Å; E383-Y473 HydrophobicContact CB-CE1 4.33Å; P471-Y473 HydrophobicContact CB-CD1 3.7Å; P471-Y473 HydrophobicContact CB-CE1 3.33Å; P471-Y473 HydrophobicContact CB-CE2 4.5Å; P471-Y473 HydrophobicContact CB-CG 4.46Å; P471-Y473 HydrophobicContact CG-CD1 4.12Å; P471-Y473 HydrophobicContact CG-CE1 3.42Å; P471-Y473 VanDerWaalsContact CG-CE1 3.42Å; P471-Y473 HydrophobicContact CG-CE2 3.88Å; P471-Y473 WeakPolarHBondContact CG-OH 3.14Å; Y473-G491 WeakPolarHBondContact O-CA 3.46Å
474	L	93.5	Very high	73.3	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.209	31%	0.309	C	S	.	.	S	Bend	trans	-72.4	138.5	-172.7	-57.2	171.9	0	0	0	109	P471 T472 E476 F489 G491	P471-L474 HydrophobicContact CG-CD1 4.44Å; P471-L474 HydrophobicContact CG-CG 4.48Å; P471-L474 PolarHBondContact O-N 2.85Å; T472-L474 PolarHBondContact O-N 2.69Å; L474-E476 HydrophobicContact CB-CG 4.06Å; L474-E476 PolarHBondContact O-N 3.42Å; L474-F489 HydrophobicContact CB-CD2 4.02Å; L474-F489 HydrophobicContact CB-CE2 4.41Å; L474-F489 WeakPolarHBondContact O-CB 3.46Å; L474-G491 WeakPolarHBondContact O-CA 3.17Å
475	P	94.8	Very high	75.2	Confident	14 Å²	14	53.9 Å²	53.9	9%	0.091	29%	0.289	C	S	.	.	S	Bend	trans	-77.3	75.8	177.1	33.2	-35.5	0	0	0	109.1	F78 A81 L492 F497	F78-P475 WeakPolarHBondContact CD1-O 3.21Å; F78-P475 WeakPolarHBondContact O-CG 3.24Å; A81-P475 HydrophobicContact CB-CB 3.76Å; A81-P475 HydrophobicContact CB-CG 4.1Å; P475-L492 HydrophobicContact CB-CD2 4.02Å; P475-F497 HydrophobicContact CB-CE2 4.48Å
476	E	92.3	Very high	77.4	Confident	85 Å²	85	49.6 Å²	49.6	40%	0.397	26%	0.26	S	S	.	.			trans	-133.4	150.8	-173.8	-68	178.7	-171.5	0	0	111.1	L474 F489 L492	L474-E476 HydrophobicContact CB-CG 4.06Å; L474-E476 PolarHBondContact O-N 3.42Å; E476-F489 HydrophobicContact CB-CD2 4.14Å; E476-F489 HydrophobicContact CB-CG 4.38Å; E476-F489 WeakPolarHBondContact O-CB 3.36Å; E476-F489 PolarHBondContact O-N 2.83Å; E476-L492 WeakPolarHBondContact O-CD1 3.39Å
477	A	92.3	Very high	79.3	Confident	22 Å²	22	48 Å²	48	18%	0.182	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144.8	166.6	0	0	0	0	0	107.6	H487 I488 L492 I514 E518	A477-H487 WeakPolarHBondContact CA-O 3.47Å; A477-I488 HydrophobicContact CB-CD1 3.74Å; A477-L492 HydrophobicContact CB-CD1 3.83Å; A477-I514 HydrophobicContact CB-CG2 3.39Å; A477-E518 HydrophobicContact CB-CG 3.85Å
478	Y	89.4	Confident	81.4	Confident	60 Å²	60	45.8 Å²	45.8	24%	0.235	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	151.9	176.2	56.9	-91.1	0	0	0	110.9	L480 H487 F489 E518	Y478-L480 HydrophobicContact CD2-CD1 4.49Å; Y478-L480 HydrophobicContact CD2-CD2 3.91Å; Y478-L480 HydrophobicContact CD2-CG 3.8Å; Y478-L480 HydrophobicContact CE2-CD1 3.9Å; Y478-L480 HydrophobicContact CE2-CD2 3.99Å; Y478-L480 HydrophobicContact CE2-CG 3.71Å; Y478-H487 HydrophobicContact CD1-CB 4.26Å; Y478-H487 HydrophobicContact CD2-CB 4.1Å; Y478-H487 HydrophobicContact CE1-CB 3.89Å; Y478-H487 HydrophobicContact CE2-CB 3.72Å; Y478-H487 AromaticContact CE2-CD2 3.48Å; Y478-H487 VanDerWaalsContact CE2-CD2 3.48Å; Y478-H487 WeakPolarHBondContact CE2-CD2 3.42Å; Y478-H487 AromaticContact CE2-CG 3.57Å; Y478-H487 HydrophobicContact CG-CB 4.35Å; Y478-H487 AromaticContact CZ-CG 3.66Å; Y478-H487 PolarHBondContact N-O 2.9Å; Y478-H487 VanDerWaalsContact N-O 3.09Å; Y478-H487 PolarHBondContact O-N 3.15Å; Y478-F489 HydrophobicContact CE1-CD1 4.39Å; Y478-F489 AromaticContact CE1-CE1 3.52Å; Y478-F489 HydrophobicContact CE1-CE1 3.52Å; Y478-F489 AromaticContact CE1-CZ 3.63Å; Y478-F489 HydrophobicContact CE1-CZ 3.63Å; Y478-F489 AromaticContact CZ-CE1 3.96Å; Y478-E518 WeakPolarHBondContact CA-OE2 3.49Å
479	Y	86.8	Confident	83.4	Confident	26 Å²	26	43.9 Å²	43.9	10%	0.102	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.1	171.2	-175	-90.2	0	0	0	110.9	K431 T481 N484 M486 E518 H521 A522	K431-Y479 WeakPolarHBondContact CE-OH 3.37Å; Y479-T481 HydrophobicContact CD1-CG2 3.88Å; Y479-T481 HydrophobicContact CE1-CG2 3.85Å; Y479-N484 WeakPolarHBondContact OH-CA 3.42Å; Y479-N484 PolarHBondContact OH-OD1 2.96Å; Y479-M486 HydrophobicContact CD2-CB 4.05Å; Y479-E518 WeakPolarHBondContact CB-O 3.36Å; Y479-E518 WeakPolarHBondContact CD2-O 3.37Å; Y479-E518 PolarHBondContact N-OE2 3.4Å; Y479-H521 HydrophobicContact CD1-CB 3.8Å; Y479-H521 HydrophobicContact CG-CB 3.92Å; Y479-A522 HydrophobicContact CE1-CB 4.12Å; Y479-A522 HydrophobicContact CE2-CB 3.68Å; Y479-A522 VanDerWaalsContact CZ-CA 3.41Å; Y479-A522 VanDerWaalsContact CZ-CB 3.43Å; Y479-A522 WeakPolarHBondContact OH-CA 3.48Å; Y479-A522 WeakPolarHBondContact OH-CB 3.07Å
480	L	78.8	Confident	84.8	Confident	53 Å²	53	38.5 Å²	38.5	28%	0.277	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	105	172.3	-65.7	179.6	0	0	0	109.1	Y478 N482 L483 N484 R485	Y478-L480 HydrophobicContact CD2-CD1 4.49Å; Y478-L480 HydrophobicContact CD2-CD2 3.91Å; Y478-L480 HydrophobicContact CD2-CG 3.8Å; Y478-L480 HydrophobicContact CE2-CD1 3.9Å; Y478-L480 HydrophobicContact CE2-CD2 3.99Å; Y478-L480 HydrophobicContact CE2-CG 3.71Å; L480-N482 PolarHBondContact O-N 2.82Å; L480-L483 HydrophobicContact CB-CB 4.07Å; L480-L483 HydrophobicContact CB-CD1 4.32Å; L480-L483 HydrophobicContact CB-CG 4.01Å; L480-L483 HydrophobicContact CD1-CD1 3.57Å; L480-L483 HydrophobicContact CD1-CG 4.11Å; L480-L483 PolarHBondContact O-N 2.98Å; L480-N484 PolarHBondContact O-N 2.97Å; L480-R485 PolarHBondContact N-O 3.46Å; L480-R485 PolarHBondContact O-N 3.05Å; L480-R485 VanDerWaalsContact O-N 3.15Å
481	T	75.9	Confident	85.8	Confident	35 Å²	35	36.5 Å²	36.5	22%	0.215	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58.4	-50.2	-179.2	60.8	0	0	0	0	110.8	Y479 L483 N484 I526 E530	Y479-T481 HydrophobicContact CD1-CG2 3.88Å; Y479-T481 HydrophobicContact CE1-CG2 3.85Å; T481-L483 PolarHBondContact O-N 2.82Å; T481-N484 PolarHBondContact O-N 3.4Å; T481-I526 HydrophobicContact CG2-CG2 4.49Å; T481-E530 VanDerWaalsContact CB-CD 3.46Å; T481-E530 WeakPolarHBondContact CB-OE1 3.47Å; T481-E530 WeakPolarHBondContact CB-OE2 3.15Å; T481-E530 PolarHBondContact OG1-OE1 2.61Å; T481-E530 PolarHBondContact OG1-OE2 2.68Å
482	N	66.3	Low	86.3	Confident	87 Å²	87	35.9 Å²	35.9	47%	0.465	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-61.7	-13.3	-177.8	68.1	-31.5	0	0	0	114.2	L480 E530 G534	L480-N482 PolarHBondContact O-N 2.82Å; N482-E530 WeakPolarHBondContact CA-OE2 3.22Å; N482-E530 PolarHBondContact N-OE2 2.81Å; N482-G534 WeakPolarHBondContact O-CA 3.49Å
483	L	67.4	Low	86.5	Confident	29 Å²	29	35.6 Å²	35.6	15%	0.152	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-110.4	-8.6	174.4	-52.8	-164	0	0	0	113.3	L480 T481 R485	L480-L483 HydrophobicContact CB-CB 4.07Å; L480-L483 HydrophobicContact CB-CD1 4.32Å; L480-L483 HydrophobicContact CB-CG 4.01Å; L480-L483 HydrophobicContact CD1-CD1 3.57Å; L480-L483 HydrophobicContact CD1-CG 4.11Å; L480-L483 PolarHBondContact O-N 2.98Å; T481-L483 PolarHBondContact O-N 2.82Å; L483-R485 HydrophobicContact CB-CB 4.06Å; L483-R485 HydrophobicContact CB-CG 4.22Å; L483-R485 WeakPolarHBondContact O-CG 3.1Å; L483-R485 PolarHBondContact O-N 3.06Å
484	N	75.5	Confident	86.5	Confident	33 Å²	33	36.4 Å²	36.4	18%	0.176	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	48.8	-165.2	-176.5	32.5	0	0	0	111.2	K431 Y479 L480 T481 F532	K431-N484 WeakPolarHBondContact CE-OD1 3.44Å; Y479-N484 WeakPolarHBondContact OH-CA 3.42Å; Y479-N484 PolarHBondContact OH-OD1 2.96Å; L480-N484 PolarHBondContact O-N 2.97Å; T481-N484 PolarHBondContact O-N 3.4Å; N484-F532 VanDerWaalsContact ND2-CA 3.35Å; N484-F532 WeakPolarHBondContact ND2-CA 3.33Å; N484-F532 PolarHBondContact ND2-O 2.81Å
485	R	78.2	Confident	86.6	Confident	93 Å²	93	37.9 Å²	37.9	35%	0.351	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.5	-174.6	-77.8	174.8	-155.4	-172	4.1	112.6	E453 L480 L483	E453-R485 IonicContact OE1-CZ 3.73Å; E453-R485 IonicContact OE1-NH1 3.84Å; E453-R485 PolarHBondContact OE1-NH1 3.44Å; E453-R485 IonicContact OE1-NH2 3.91Å; E453-R485 PolarHBondContact OE1-NH2 3.24Å; L480-R485 PolarHBondContact N-O 3.46Å; L480-R485 PolarHBondContact O-N 3.05Å; L480-R485 VanDerWaalsContact O-N 3.15Å; L483-R485 HydrophobicContact CB-CB 4.06Å; L483-R485 HydrophobicContact CB-CG 4.22Å; L483-R485 WeakPolarHBondContact O-CG 3.1Å; L483-R485 PolarHBondContact O-N 3.06Å
486	M	84.6	Confident	86.6	Confident	45 Å²	45	38.9 Å²	38.9	22%	0.222	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.3	167.9	-178.9	176.2	64.6	0	0	110.2	V403 Y479 I488 I515 E518 F519	V403-M486 HydrophobicContact CG1-CE 4.33Å; V403-M486 HydrophobicContact CG2-CE 4.3Å; Y479-M486 HydrophobicContact CD2-CB 4.05Å; M486-I488 HydrophobicContact CE-CD1 4.28Å; M486-I488 HydrophobicContact CE-CG1 3.97Å; M486-I488 HydrophobicContact CG-CD1 3.74Å; M486-I488 HydrophobicContact CG-CG1 4.01Å; M486-I488 HydrophobicContact SD-CD1 3.73Å; M486-I488 HydrophobicContact SD-CG1 4.07Å; M486-I515 HydrophobicContact CE-CG2 4.05Å; M486-I515 HydrophobicContact SD-CG2 4.39Å; M486-E518 HydrophobicContact CG-CB 3.63Å; M486-E518 HydrophobicContact CG-CG 4.18Å; M486-E518 HydrophobicContact SD-CB 3.41Å; M486-E518 WeakPolarHBondContact SD-CB 3.35Å; M486-E518 HydrophobicContact SD-CG 4.25Å; M486-F519 HydrophobicContact CE-CD2 4.31Å; M486-F519 HydrophobicContact CE-CE2 3.99Å; M486-F519 HydrophobicContact CE-CZ 4.19Å; M486-F519 HydrophobicContact SD-CD2 4.4Å
487	H	83.7	Confident	86.9	Confident	47 Å²	47	34.8 Å²	34.8	22%	0.218	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.8	172.5	-70.9	-102.1	0	0	0	108.8	A477 Y478 F489	A477-H487 WeakPolarHBondContact CA-O 3.47Å; Y478-H487 HydrophobicContact CD1-CB 4.26Å; Y478-H487 HydrophobicContact CD2-CB 4.1Å; Y478-H487 HydrophobicContact CE1-CB 3.89Å; Y478-H487 HydrophobicContact CE2-CB 3.72Å; Y478-H487 AromaticContact CE2-CD2 3.48Å; Y478-H487 VanDerWaalsContact CE2-CD2 3.48Å; Y478-H487 WeakPolarHBondContact CE2-CD2 3.42Å; Y478-H487 AromaticContact CE2-CG 3.57Å; Y478-H487 HydrophobicContact CG-CB 4.35Å; Y478-H487 AromaticContact CZ-CG 3.66Å; Y478-H487 PolarHBondContact N-O 2.9Å; Y478-H487 VanDerWaalsContact N-O 3.09Å; Y478-H487 PolarHBondContact O-N 3.15Å; H487-F489 HydrophobicContact CB-CD1 4.3Å; H487-F489 HydrophobicContact CB-CE1 3.97Å
488	I	89.2	Confident	87.1	Confident	45 Å²	45	34 Å²	34	23%	0.231	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.6	173.2	-55.8	-58.4	0	0	0	107.5	A477 M486 L492 L511 I514 I515 E518	A477-I488 HydrophobicContact CB-CD1 3.74Å; M486-I488 HydrophobicContact CE-CD1 4.28Å; M486-I488 HydrophobicContact CE-CG1 3.97Å; M486-I488 HydrophobicContact CG-CD1 3.74Å; M486-I488 HydrophobicContact CG-CG1 4.01Å; M486-I488 HydrophobicContact SD-CD1 3.73Å; M486-I488 HydrophobicContact SD-CG1 4.07Å; I488-L492 HydrophobicContact CG2-CD1 4.19Å; I488-L511 HydrophobicContact CG2-CD1 3.89Å; I488-I514 HydrophobicContact CD1-CG2 4.46Å; I488-I515 HydrophobicContact CD1-CG1 3.93Å; I488-I515 HydrophobicContact CG1-CG1 4.02Å; I488-E518 HydrophobicContact CD1-CG 4.25Å
489	F	92.8	Very high	87.3	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.018	17%	0.173	C	C	.	.			trans	-87.3	150.1	-173.4	-82.4	30.2	0	0	0	112.3	R468 P471 T472 L474 E476 Y478 H487 G491 L492	R468-F489 VanDerWaalsContact NH2-CD2 3.25Å; R468-F489 VanDerWaalsContact NH2-CZ 3.32Å; P471-F489 WeakPolarHBondContact O-CD2 3.5Å; P471-F489 WeakPolarHBondContact O-CE2 3.43Å; T472-F489 HydrophobicContact CG2-CB 4.33Å; T472-F489 HydrophobicContact CG2-CG 4.3Å; T472-F489 WeakPolarHBondContact O-CB 3.44Å; T472-F489 WeakPolarHBondContact O-CD2 3.39Å; L474-F489 HydrophobicContact CB-CD2 4.02Å; L474-F489 HydrophobicContact CB-CE2 4.41Å; L474-F489 WeakPolarHBondContact O-CB 3.46Å; E476-F489 HydrophobicContact CB-CD2 4.14Å; E476-F489 HydrophobicContact CB-CG 4.38Å; E476-F489 WeakPolarHBondContact O-CB 3.36Å; E476-F489 PolarHBondContact O-N 2.83Å; Y478-F489 HydrophobicContact CE1-CD1 4.39Å; Y478-F489 AromaticContact CE1-CE1 3.52Å; Y478-F489 HydrophobicContact CE1-CE1 3.52Å; Y478-F489 AromaticContact CE1-CZ 3.63Å; Y478-F489 HydrophobicContact CE1-CZ 3.63Å; Y478-F489 AromaticContact CZ-CE1 3.96Å; H487-F489 HydrophobicContact CB-CD1 4.3Å; H487-F489 HydrophobicContact CB-CE1 3.97Å; F489-G491 PolarHBondContact O-N 3.33Å; F489-G491 VanDerWaalsContact O-N 3.15Å; F489-L492 WeakPolarHBondContact O-CB 3.31Å; F489-L492 PolarHBondContact O-N 2.99Å
490	A	93.2	Very high	87.6	Confident	6 Å²	6	38.4 Å²	38.4	5%	0.05	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.5	-25.3	178.4	0	0	0	0	0	113.1	F386 L387 I391 T472 L492 M493	F386-A490 HydrophobicContact CD1-CB 4.26Å; F386-A490 HydrophobicContact CE1-CB 3.88Å; L387-A490 HydrophobicContact CD2-CB 3.52Å; I391-A490 HydrophobicContact CD1-CB 3.19Å; I391-A490 HydrophobicContact CG1-CB 4.36Å; T472-A490 HydrophobicContact CG2-CB 3.96Å; T472-A490 PolarHBondContact O-N 3.07Å; A490-L492 PolarHBondContact O-N 2.95Å; A490-L492 VanDerWaalsContact O-N 3.09Å; A490-M493 VanDerWaalsContact O-CB 3.29Å; A490-M493 WeakPolarHBondContact O-CB 3.31Å; A490-M493 PolarHBondContact O-N 3.3Å
491	G	95.7	Very high	88.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.2	-14.8	174.3	0	0	0	0	0	113.6	T472 Y473 L474 F489 Q494	T472-G491 PolarHBondContact O-N 3.42Å; Y473-G491 WeakPolarHBondContact O-CA 3.46Å; L474-G491 WeakPolarHBondContact O-CA 3.17Å; F489-G491 PolarHBondContact O-N 3.33Å; F489-G491 VanDerWaalsContact O-N 3.15Å; G491-Q494 WeakPolarHBondContact O-CG 3.24Å; G491-Q494 PolarHBondContact O-NE2 3.27Å
492	L	96.1	Very high	89	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-87.2	-3.8	172.6	-60	176	0	0	0	113.3	F78 P475 E476 A477 I488 F489 A490 Q494 F497 L511 I514	F78-L492 HydrophobicContact CD1-CD2 4.05Å; F78-L492 HydrophobicContact CE1-CD2 3.87Å; P475-L492 HydrophobicContact CB-CD2 4.02Å; E476-L492 WeakPolarHBondContact O-CD1 3.39Å; A477-L492 HydrophobicContact CB-CD1 3.83Å; I488-L492 HydrophobicContact CG2-CD1 4.19Å; F489-L492 WeakPolarHBondContact O-CB 3.31Å; F489-L492 PolarHBondContact O-N 2.99Å; A490-L492 PolarHBondContact O-N 2.95Å; A490-L492 VanDerWaalsContact O-N 3.09Å; L492-Q494 PolarHBondContact O-N 3.34Å; L492-F497 HydrophobicContact CB-CB 4.46Å; L492-F497 HydrophobicContact CB-CD2 4.4Å; L492-F497 HydrophobicContact CD2-CD1 4.32Å; L492-F497 HydrophobicContact CD2-CD2 3.66Å; L492-F497 HydrophobicContact CD2-CE1 4.37Å; L492-F497 HydrophobicContact CD2-CE2 3.69Å; L492-F497 HydrophobicContact CD2-CG 3.98Å; L492-F497 HydrophobicContact CD2-CZ 4.06Å; L492-F497 WeakPolarHBondContact O-CB 3.41Å; L492-L511 HydrophobicContact CB-CD1 3.94Å; L492-L511 HydrophobicContact CD1-CD1 4.31Å; L492-I514 HydrophobicContact CD1-CD1 4.29Å; L492-I514 HydrophobicContact CD1-CG2 4.11Å; L492-I514 HydrophobicContact CD2-CD1 4.22Å
493	M	94.8	Very high	90.2	Very high	20 Å²	20	46.6 Å²	46.6	10%	0.099	23%	0.234	C	C	.	.	S	Bend	trans	-80.6	41.4	176.4	-60	-58.9	-64.3	0	0	112.1	I391 Q395 V399 A490 Y498 L511	I391-M493 HydrophobicContact CD1-CB 4.35Å; I391-M493 HydrophobicContact CD1-CG 3.81Å; I391-M493 HydrophobicContact CG1-CB 4.14Å; I391-M493 HydrophobicContact CG1-CG 4.03Å; Q395-M493 HydrophobicContact CB-CE 3.94Å; V399-M493 HydrophobicContact CG2-CE 3.63Å; V399-M493 HydrophobicContact CG2-SD 3.79Å; A490-M493 VanDerWaalsContact O-CB 3.29Å; A490-M493 WeakPolarHBondContact O-CB 3.31Å; A490-M493 PolarHBondContact O-N 3.3Å; M493-Y498 HydrophobicContact CE-CD1 4.27Å; M493-Y498 HydrophobicContact CE-CD2 3.87Å; M493-Y498 HydrophobicContact CE-CE1 4.29Å; M493-Y498 HydrophobicContact CE-CE2 3.87Å; M493-Y498 HydrophobicContact CE-CG 4.07Å; M493-Y498 HydrophobicContact SD-CD2 4.47Å; M493-L511 HydrophobicContact SD-CD2 3.89Å
494	Q	94.5	Very high	91.3	Very high	20 Å²	20	46.8 Å²	46.8	9%	0.093	24%	0.238	C	C	.	.	S	Bend	trans	-149.3	163.2	179.8	64.4	-174.3	-56.3	0	0	110.6	A81 T85 G491 L492 F497 Y498	A81-Q494 HydrophobicContact CB-CG 4.15Å; A81-Q494 PolarHBondContact O-NE2 2.98Å; T85-Q494 PolarHBondContact OG1-NE2 2.78Å; T85-Q494 VanDerWaalsContact OG1-NE2 3.15Å; G491-Q494 WeakPolarHBondContact O-CG 3.24Å; G491-Q494 PolarHBondContact O-NE2 3.27Å; L492-Q494 PolarHBondContact O-N 3.34Å; Q494-F497 PolarHBondContact O-N 3.23Å; Q494-F497 VanDerWaalsContact O-N 3.08Å; Q494-Y498 CarbonylContact C-O 3.41Å; Q494-Y498 VanDerWaalsContact C-O 3.25Å; Q494-Y498 PolarHBondContact O-N 2.97Å
495	P	95.7	Very high	92.1	Very high	72 Å²	72	45.2 Å²	45.2	47%	0.468	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	147.5	176.5	-27.9	37.4	0	0	0	113.1	F497 E499	P495-F497 VanDerWaalsContact C-N 3.33Å; P495-E499 WeakPolarHBondContact CG-OE2 3.1Å
496	P	95.9	Very high	92.9	Very high	34 Å²	34	41.3 Å²	41.3	22%	0.221	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.8	5.9	0.3	36.6	-35.5	0	0	0	113.6	T77	T77-P496 HydrophobicContact CG2-CG 3.72Å
497	F	97.5	Very high	93.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-44.8	-174.2	-46.2	-64.3	0	0	0	111.4	F78 A81 P475 L492 Q494 P495 L511 I514 T622	F78-F497 HydrophobicContact CB-CZ 4.4Å; F78-F497 HydrophobicContact CD1-CE1 4.11Å; F78-F497 HydrophobicContact CD1-CE2 4.5Å; F78-F497 AromaticContact CD1-CZ 3.7Å; F78-F497 HydrophobicContact CD1-CZ 3.7Å; F78-F497 HydrophobicContact CD2-CE1 4.14Å; F78-F497 HydrophobicContact CD2-CZ 4.02Å; F78-F497 AromaticContact CE1-CE1 3.85Å; F78-F497 HydrophobicContact CE1-CE1 3.85Å; F78-F497 AromaticContact CE1-CZ 3.92Å; F78-F497 HydrophobicContact CE1-CZ 3.92Å; F78-F497 AromaticContact CE2-CE1 3.85Å; F78-F497 HydrophobicContact CE2-CE1 3.85Å; F78-F497 HydrophobicContact CE2-CZ 4.19Å; F78-F497 HydrophobicContact CG-CE1 4.27Å; F78-F497 AromaticContact CG-CZ 3.77Å; F78-F497 HydrophobicContact CG-CZ 3.77Å; F78-F497 AromaticContact CZ-CE1 3.71Å; F78-F497 HydrophobicContact CZ-CE1 3.71Å; F78-F497 HydrophobicContact CZ-CZ 4.16Å; A81-F497 HydrophobicContact CB-CE2 3.69Å; P475-F497 HydrophobicContact CB-CE2 4.48Å; L492-F497 HydrophobicContact CB-CB 4.46Å; L492-F497 HydrophobicContact CB-CD2 4.4Å; L492-F497 HydrophobicContact CD2-CD1 4.32Å; L492-F497 HydrophobicContact CD2-CD2 3.66Å; L492-F497 HydrophobicContact CD2-CE1 4.37Å; L492-F497 HydrophobicContact CD2-CE2 3.69Å; L492-F497 HydrophobicContact CD2-CG 3.98Å; L492-F497 HydrophobicContact CD2-CZ 4.06Å; L492-F497 WeakPolarHBondContact O-CB 3.41Å; Q494-F497 PolarHBondContact O-N 3.23Å; Q494-F497 VanDerWaalsContact O-N 3.08Å; P495-F497 VanDerWaalsContact C-N 3.33Å; F497-L511 HydrophobicContact CB-CB 4.38Å; F497-L511 VanDerWaalsContact O-CB 3.23Å; F497-L511 WeakPolarHBondContact O-CB 3.45Å; F497-L511 PolarHBondContact O-N 3.33Å; F497-I514 HydrophobicContact CD1-CD1 3.43Å; F497-I514 VanDerWaalsContact CD1-CD1 3.43Å; F497-I514 HydrophobicContact CE1-CD1 3.87Å; F497-I514 HydrophobicContact CG-CD1 4.16Å; F497-T622 HydrophobicContact CD1-CG2 3.78Å; F497-T622 HydrophobicContact CE1-CG2 3.92Å
498	Y	96.2	Very high	93.9	Very high	4 Å²	4	40 Å²	40	2%	0.016	21%	0.206	C	C	.	.			trans	-129.4	109.3	179.2	-174.5	-87.9	0	0	0	110.2	Q395 E398 V399 M493 Q494 K500 R507 L511	Q395-Y498 HydrophobicContact CG-CE1 4.34Å; E398-Y498 PolarHBondContact OE2-OH 3.17Å; E398-Y498 VanDerWaalsContact OE2-OH 3.07Å; V399-Y498 HydrophobicContact CG2-CE2 4.4Å; M493-Y498 HydrophobicContact CE-CD1 4.27Å; M493-Y498 HydrophobicContact CE-CD2 3.87Å; M493-Y498 HydrophobicContact CE-CE1 4.29Å; M493-Y498 HydrophobicContact CE-CE2 3.87Å; M493-Y498 HydrophobicContact CE-CG 4.07Å; M493-Y498 HydrophobicContact SD-CD2 4.47Å; Q494-Y498 CarbonylContact C-O 3.41Å; Q494-Y498 VanDerWaalsContact C-O 3.25Å; Q494-Y498 PolarHBondContact O-N 2.97Å; Y498-K500 HydrophobicContact CD1-CB 4.17Å; Y498-K500 HydrophobicContact CE1-CB 3.76Å; Y498-K500 PolarHBondContact O-N 3.3Å; Y498-R507 HydrophobicContact CD2-CG 4.17Å; Y498-R507 HydrophobicContact CE1-CG 4.31Å; Y498-R507 HydrophobicContact CE2-CG 3.81Å; Y498-R507 WeakPolarHBondContact OH-CD 3.49Å; Y498-L511 HydrophobicContact CD2-CD2 4.02Å
499	E	95.2	Very high	94.3	Very high	54 Å²	54	37.9 Å²	37.9	25%	0.252	20%	0.196	S	C	.	.			trans	-98.7	81.8	-176.9	-64.7	-71.6	-176	0	0	110.1	P495 D501 E502 R507	P495-E499 WeakPolarHBondContact CG-OE2 3.1Å; E499-D501 PolarHBondContact O-N 2.94Å; E499-E502 HydrophobicContact CB-CB 4.05Å; E499-E502 HydrophobicContact CB-CG 3.48Å; E499-E502 VanDerWaalsContact CB-CG 3.48Å; E499-E502 HydrophobicContact CG-CG 4.35Å; E499-E502 WeakPolarHBondContact O-CB 3.35Å; E499-E502 PolarHBondContact O-N 2.87Å; E499-R507 PolarHBondContact N-O 3.1Å; E499-R507 WeakPolarHBondContact O-CG 3.26Å
500	K	91.7	Very high	94.6	Very high	126 Å²	126	37.8 Å²	37.8	55%	0.548	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-28.8	-168.7	70	175.8	-172.1	174.8	0	115.7	Y498	Y498-K500 HydrophobicContact CD1-CB 4.17Å; Y498-K500 HydrophobicContact CE1-CB 3.76Å; Y498-K500 PolarHBondContact O-N 3.3Å
501	D	92.1	Very high	94.8	Very high	143 Å²	143	37.5 Å²	37.5	77%	0.765	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.3	-174.3	-58	-48.4	0	0	0	112.6	E499	E499-D501 PolarHBondContact O-N 2.94Å
502	E	93.3	Very high	94.9	Very high	77 Å²	77	37.5 Å²	37.5	36%	0.36	19%	0.194	S	C	.	.	S	Bend	trans	-91.6	159.5	176.4	-64.4	-85.4	-154.7	0	0	111.9	E499 T506 R507 K618	E499-E502 HydrophobicContact CB-CB 4.05Å; E499-E502 HydrophobicContact CB-CG 3.48Å; E499-E502 VanDerWaalsContact CB-CG 3.48Å; E499-E502 HydrophobicContact CG-CG 4.35Å; E499-E502 WeakPolarHBondContact O-CB 3.35Å; E499-E502 PolarHBondContact O-N 2.87Å; E502-T506 HydrophobicContact CB-CG2 4.49Å; E502-R507 HydrophobicContact CB-CB 4.25Å; E502-R507 VanDerWaalsContact O-CZ 3.29Å; E502-R507 PolarHBondContact O-NE 3.2Å; E502-R507 PolarHBondContact O-NH2 2.75Å; E502-K618 IonicContact OE1-NZ 3.79Å; E502-K618 PolarHBondContact OE1-NZ 2.87Å
503	D	91.9	Very high	95	Very high	127 Å²	127	37.7 Å²	37.7	68%	0.679	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-72.1	145.4	174.9	-67.6	-36.4	0	0	0	112	T506 R507	D503-T506 CarbonylContact O-C 3.57Å; D503-T506 WeakPolarHBondContact O-CA 3.18Å; D503-T506 VanDerWaalsContact O-CB 3.27Å; D503-T506 WeakPolarHBondContact O-CB 3.48Å; D503-T506 PolarHBondContact O-N 3.46Å; D503-R507 PolarHBondContact O-N 2.83Å
504	S	89.5	Confident	95.2	Very high	32 Å²	32	36.9 Å²	36.9	22%	0.224	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	137.6	167.2	175.8	0	0	0	0	109.5	Y508 Q600	S504-Y508 VanDerWaalsContact OG-CE1 3.32Å; S504-Y508 WeakPolarHBondContact OG-CE1 3.28Å; S504-Y508 PolarHBondContact OG-OH 3.01Å; S504-Q600 PolarHBondContact O-NE2 2.98Å; S504-Q600 PolarHBondContact O-OE1 3.13Å; S504-Q600 VanDerWaalsContact O-OE1 3.05Å
505	P	92.5	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87	0.4	1	33.3	-39.6	0	0	0	116.5	R507 Y508 Y593 L596 Q597	P505-R507 PolarHBondContact O-N 3.39Å; P505-Y508 VanDerWaalsContact CA-OH 3.31Å; P505-Y508 WeakPolarHBondContact CA-OH 3.37Å; P505-Y508 HydrophobicContact CB-CD2 4.45Å; P505-Y508 HydrophobicContact CB-CE1 4.48Å; P505-Y508 HydrophobicContact CB-CE2 3.46Å; P505-Y508 VanDerWaalsContact CB-CE2 3.46Å; P505-Y508 VanDerWaalsContact CB-CZ 3.49Å; P505-Y508 WeakPolarHBondContact CB-OH 3.46Å; P505-Y508 WeakPolarHBondContact O-CD2 3.36Å; P505-Y508 WeakPolarHBondContact O-CE2 3.41Å; P505-Y508 PolarHBondContact O-N 3.17Å; P505-Y593 HydrophobicContact CB-CD2 3.88Å; P505-Y593 HydrophobicContact CB-CE2 4.27Å; P505-Y593 HydrophobicContact CG-CD2 3.56Å; P505-Y593 HydrophobicContact CG-CE2 3.68Å; P505-Y593 HydrophobicContact CG-CG 4.39Å; P505-L596 HydrophobicContact CB-CB 4.02Å; P505-L596 HydrophobicContact CB-CD1 4.11Å; P505-L596 HydrophobicContact CG-CB 3.91Å; P505-Q597 HydrophobicContact CG-CG 3.82Å
506	T	94.5	Very high	95.4	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.067	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-59.2	-35.7	-178.3	-61.4	0	0	0	0	112.7	E502 D503 Y508 I509 L614 K618	E502-T506 HydrophobicContact CB-CG2 4.49Å; D503-T506 CarbonylContact O-C 3.57Å; D503-T506 WeakPolarHBondContact O-CA 3.18Å; D503-T506 VanDerWaalsContact O-CB 3.27Å; D503-T506 WeakPolarHBondContact O-CB 3.48Å; D503-T506 PolarHBondContact O-N 3.46Å; T506-Y508 PolarHBondContact O-N 2.94Å; T506-Y508 VanDerWaalsContact O-N 3.13Å; T506-I509 HydrophobicContact CG2-CD1 4.09Å; T506-I509 PolarHBondContact O-N 2.69Å; T506-L614 HydrophobicContact CG2-CD2 3.75Å; T506-L614 HydrophobicContact CG2-CG 4.39Å; T506-K618 HydrophobicContact CG2-CD 4.05Å
507	R	94.9	Very high	95.4	Very high	54 Å²	54	31.2 Å²	31.2	20%	0.204	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-46.9	-37.2	176.9	175.6	173.9	-46.5	161.1	0.9	115.1	E398 Y498 E499 E502 D503 P505	E398-R507 VanDerWaalsContact CD-NH1 3.3Å; E398-R507 IonicContact OE1-CZ 3.69Å; E398-R507 IonicContact OE1-NE 3.29Å; E398-R507 IonicContact OE1-NH1 2.87Å; E398-R507 PolarHBondContact OE1-NH1 3.3Å; E398-R507 IonicContact OE2-CZ 3.8Å; E398-R507 IonicContact OE2-NH1 3.08Å; E398-R507 PolarHBondContact OE2-NH1 3.38Å; Y498-R507 HydrophobicContact CD2-CG 4.17Å; Y498-R507 HydrophobicContact CE1-CG 4.31Å; Y498-R507 HydrophobicContact CE2-CG 3.81Å; Y498-R507 WeakPolarHBondContact OH-CD 3.49Å; E499-R507 PolarHBondContact N-O 3.1Å; E499-R507 WeakPolarHBondContact O-CG 3.26Å; E502-R507 HydrophobicContact CB-CB 4.25Å; E502-R507 VanDerWaalsContact O-CZ 3.29Å; E502-R507 PolarHBondContact O-NE 3.2Å; E502-R507 PolarHBondContact O-NH2 2.75Å; D503-R507 PolarHBondContact O-N 2.83Å; P505-R507 PolarHBondContact O-N 3.39Å
508	Y	95.5	Very high	95.4	Very high	11 Å²	11	32.1 Å²	32.1	4%	0.043	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-123.3	25.9	-170.2	50.2	-111.7	0	0	0	112.8	E398 L402 S504 P505 T506 G510 G512 M589 L596	E398-Y508 HydrophobicContact CG-CE1 4.38Å; L402-Y508 HydrophobicContact CD1-CD2 3.53Å; L402-Y508 HydrophobicContact CD1-CE2 3.44Å; L402-Y508 VanDerWaalsContact CD1-CE2 3.44Å; L402-Y508 HydrophobicContact CD1-CG 4.37Å; L402-Y508 HydrophobicContact CD2-CD1 4.36Å; L402-Y508 HydrophobicContact CD2-CD2 3.52Å; L402-Y508 HydrophobicContact CD2-CE2 4.23Å; L402-Y508 HydrophobicContact CD2-CG 3.6Å; L402-Y508 HydrophobicContact CG-CD2 4.11Å; L402-Y508 HydrophobicContact CG-CE2 4.35Å; S504-Y508 VanDerWaalsContact OG-CE1 3.32Å; S504-Y508 WeakPolarHBondContact OG-CE1 3.28Å; S504-Y508 PolarHBondContact OG-OH 3.01Å; P505-Y508 VanDerWaalsContact CA-OH 3.31Å; P505-Y508 WeakPolarHBondContact CA-OH 3.37Å; P505-Y508 HydrophobicContact CB-CD2 4.45Å; P505-Y508 HydrophobicContact CB-CE1 4.48Å; P505-Y508 HydrophobicContact CB-CE2 3.46Å; P505-Y508 VanDerWaalsContact CB-CE2 3.46Å; P505-Y508 VanDerWaalsContact CB-CZ 3.49Å; P505-Y508 WeakPolarHBondContact CB-OH 3.46Å; P505-Y508 WeakPolarHBondContact O-CD2 3.36Å; P505-Y508 WeakPolarHBondContact O-CE2 3.41Å; P505-Y508 PolarHBondContact O-N 3.17Å; T506-Y508 PolarHBondContact O-N 2.94Å; T506-Y508 VanDerWaalsContact O-N 3.13Å; Y508-G510 VanDerWaalsContact C-N 3.28Å; Y508-G510 PolarHBondContact O-N 3.27Å; Y508-G512 WeakPolarHBondContact O-CA 3.45Å; Y508-G512 PolarHBondContact O-N 3.21Å; Y508-M589 HydrophobicContact CD2-CE 4.08Å; Y508-M589 HydrophobicContact CE2-CE 4.16Å; Y508-L596 HydrophobicContact CE2-CD1 4.19Å; Y508-L596 VanDerWaalsContact OH-CD1 3.29Å; Y508-L596 WeakPolarHBondContact OH-CD1 3.47Å
509	I	97.9	Very high	95.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-55.4	-46.8	174.6	-71.3	161.7	0	0	0	110.9	T506 W513 Y593 F615 K618	T506-I509 HydrophobicContact CG2-CD1 4.09Å; T506-I509 PolarHBondContact O-N 2.69Å; I509-W513 WeakPolarHBondContact O-CB 3.27Å; I509-W513 PolarHBondContact O-N 3.44Å; I509-Y593 HydrophobicContact CD1-CD2 4.19Å; I509-Y593 HydrophobicContact CD1-CE2 3.73Å; I509-Y593 HydrophobicContact CG1-CD2 3.89Å; I509-Y593 HydrophobicContact CG1-CE2 3.92Å; I509-F615 HydrophobicContact CD1-CB 4.46Å; I509-F615 HydrophobicContact CD1-CD2 4.31Å; I509-F615 HydrophobicContact CG1-CD2 3.99Å; I509-F615 HydrophobicContact CG2-CD2 3.84Å; I509-F615 HydrophobicContact CG2-CE2 3.97Å; I509-F615 HydrophobicContact CG2-CG 4.49Å; I509-K618 HydrophobicContact CB-CB 4.05Å; I509-K618 HydrophobicContact CD1-CB 4.14Å; I509-K618 HydrophobicContact CD1-CD 3.95Å; I509-K618 HydrophobicContact CD1-CG 4.4Å; I509-K618 HydrophobicContact CG2-CB 3.78Å
510	G	97.9	Very high	95.2	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-52.6	179.9	0	0	0	0	0	112.9	Y508 G512 W513 I514 T622	Y508-G510 VanDerWaalsContact C-N 3.28Å; Y508-G510 PolarHBondContact O-N 3.27Å; G510-G512 VanDerWaalsContact C-N 3.33Å; G510-G512 PolarHBondContact O-N 2.79Å; G510-W513 PolarHBondContact O-N 3.48Å; G510-I514 WeakPolarHBondContact O-CG1 3.38Å; G510-I514 PolarHBondContact O-N 3.06Å; G510-I514 VanDerWaalsContact O-N 3.11Å; G510-T622 WeakPolarHBondContact CA-OG1 3.02Å
511	L	98.1	Very high	95.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.4	-40.7	177.6	179.3	62.2	0	0	0	112.3	V399 I488 L492 M493 F497 Y498 I514 I515	V399-L511 HydrophobicContact CG1-CD2 4.22Å; V399-L511 HydrophobicContact CG2-CD2 3.69Å; I488-L511 HydrophobicContact CG2-CD1 3.89Å; L492-L511 HydrophobicContact CB-CD1 3.94Å; L492-L511 HydrophobicContact CD1-CD1 4.31Å; M493-L511 HydrophobicContact SD-CD2 3.89Å; F497-L511 HydrophobicContact CB-CB 4.38Å; F497-L511 VanDerWaalsContact O-CB 3.23Å; F497-L511 WeakPolarHBondContact O-CB 3.45Å; F497-L511 PolarHBondContact O-N 3.33Å; Y498-L511 HydrophobicContact CD2-CD2 4.02Å; L511-I514 WeakPolarHBondContact O-CB 3.38Å; L511-I514 PolarHBondContact O-N 3.39Å; L511-I515 HydrophobicContact CD1-CD1 4.35Å; L511-I515 HydrophobicContact CG-CD1 3.95Å; L511-I515 WeakPolarHBondContact O-CG1 3.34Å; L511-I515 PolarHBondContact O-N 2.94Å
512	G	98	Very high	95.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.8	-37.9	178.6	0	0	0	0	0	112.4	Y508 G510 I515 A516 M589	Y508-G512 WeakPolarHBondContact O-CA 3.45Å; Y508-G512 PolarHBondContact O-N 3.21Å; G510-G512 VanDerWaalsContact C-N 3.33Å; G510-G512 PolarHBondContact O-N 2.79Å; G512-I515 PolarHBondContact O-N 3.36Å; G512-A516 WeakPolarHBondContact O-CB 3.5Å; G512-A516 PolarHBondContact O-N 2.94Å; G512-M589 WeakPolarHBondContact CA-SD 3.25Å
513	W	98	Very high	94.8	Very high	3 Å²	3	15 Å²	15	1%	0.011	8%	0.076	C	C	.	.	H	α-helix	trans	-64.8	-42.2	171.8	171.1	73.9	0	0	0	111.5	I509 G510 I515 A516 H517 D582 G585 M589 F619 T622 L623	I509-W513 WeakPolarHBondContact O-CB 3.27Å; I509-W513 PolarHBondContact O-N 3.44Å; G510-W513 PolarHBondContact O-N 3.48Å; W513-I515 VanDerWaalsContact C-N 3.35Å; W513-I515 PolarHBondContact O-N 2.99Å; W513-A516 PolarHBondContact O-N 3.28Å; W513-H517 HydrophobicContact CZ2-CB 4.25Å; W513-H517 AromaticContact CZ2-ND1 3.68Å; W513-H517 VanDerWaalsContact O-CB 3.26Å; W513-H517 WeakPolarHBondContact O-CB 3.31Å; W513-H517 PolarHBondContact O-N 3.4Å; W513-D582 WeakPolarHBondContact CZ2-OD1 3.48Å; W513-D582 PolarHBondContact NE1-O 2.81Å; W513-G585 VanDerWaalsContact CD1-C 3.49Å; W513-M589 HydrophobicContact CB-CB 4.41Å; W513-M589 HydrophobicContact CB-CG 4.36Å; W513-F619 HydrophobicContact CB-CD2 4.32Å; W513-F619 AromaticContact CD1-CD2 3.75Å; W513-F619 AromaticContact CD1-CE2 3.67Å; W513-F619 AromaticContact CD2-CD2 3.87Å; W513-F619 HydrophobicContact CD2-CD2 3.87Å; W513-F619 AromaticContact CD2-CE2 3.71Å; W513-F619 HydrophobicContact CD2-CE2 3.71Å; W513-F619 AromaticContact CE2-CE2 3.46Å; W513-F619 VanDerWaalsContact CE2-CE2 3.46Å; W513-F619 HydrophobicContact CE3-CE2 4.44Å; W513-F619 AromaticContact CG-CD2 3.67Å; W513-F619 HydrophobicContact CG-CD2 3.67Å; W513-F619 AromaticContact CG-CE2 3.86Å; W513-F619 HydrophobicContact CG-CE2 3.86Å; W513-F619 HydrophobicContact CZ2-CE2 4.01Å; W513-F619 AromaticContact NE1-CD2 3.97Å; W513-F619 AromaticContact NE1-CE2 3.39Å; W513-T622 HydrophobicContact CE3-CG2 3.99Å; W513-T622 HydrophobicContact CZ3-CG2 4.24Å; W513-L623 HydrophobicContact CH2-CD1 3.64Å; W513-L623 HydrophobicContact CH2-CD2 3.72Å; W513-L623 HydrophobicContact CH2-CG 3.93Å; W513-L623 HydrophobicContact CZ2-CD1 3.98Å; W513-L623 HydrophobicContact CZ3-CD1 4.06Å; W513-L623 HydrophobicContact CZ3-CD2 3.81Å; W513-L623 HydrophobicContact CZ3-CG 3.92Å
514	I	98.1	Very high	94.8	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-59.1	-47.8	174.9	-67.2	168	0	0	0	110.2	F78 A477 I488 L492 F497 G510 L511 A516 H517 E518 T622	F78-I514 HydrophobicContact CE1-CD1 3.88Å; F78-I514 HydrophobicContact CZ-CD1 3.71Å; F78-I514 HydrophobicContact CZ-CG1 4.24Å; A477-I514 HydrophobicContact CB-CG2 3.39Å; I488-I514 HydrophobicContact CD1-CG2 4.46Å; L492-I514 HydrophobicContact CD1-CD1 4.29Å; L492-I514 HydrophobicContact CD1-CG2 4.11Å; L492-I514 HydrophobicContact CD2-CD1 4.22Å; F497-I514 HydrophobicContact CD1-CD1 3.43Å; F497-I514 VanDerWaalsContact CD1-CD1 3.43Å; F497-I514 HydrophobicContact CE1-CD1 3.87Å; F497-I514 HydrophobicContact CG-CD1 4.16Å; G510-I514 WeakPolarHBondContact O-CG1 3.38Å; G510-I514 PolarHBondContact O-N 3.06Å; G510-I514 VanDerWaalsContact O-N 3.11Å; L511-I514 WeakPolarHBondContact O-CB 3.38Å; L511-I514 PolarHBondContact O-N 3.39Å; I514-A516 VanDerWaalsContact C-N 3.34Å; I514-A516 PolarHBondContact O-N 2.76Å; I514-H517 WeakPolarHBondContact O-CB 3.48Å; I514-H517 PolarHBondContact O-N 2.89Å; I514-E518 HydrophobicContact CG2-CG 4.46Å; I514-E518 WeakPolarHBondContact O-CG 3.13Å; I514-E518 PolarHBondContact O-N 3.44Å; I514-T622 HydrophobicContact CD1-CG2 4.23Å; I514-T622 HydrophobicContact CG1-CG2 4.42Å
515	I	97	Very high	94.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-57.3	-46.9	176.1	-73.4	163.7	0	0	0	111.2	V399 L402 V403 V406 M486 I488 L511 G512 W513 E518 F519	V399-I515 HydrophobicContact CG1-CD1 4.25Å; L402-I515 HydrophobicContact CD2-CD1 3.87Å; L402-I515 HydrophobicContact CG-CD1 4.21Å; V403-I515 HydrophobicContact CG2-CD1 3.96Å; V403-I515 HydrophobicContact CG2-CG1 4.43Å; V403-I515 HydrophobicContact CG2-CG2 4.05Å; V406-I515 HydrophobicContact CB-CG2 4.27Å; V406-I515 HydrophobicContact CG1-CG2 4.18Å; V406-I515 HydrophobicContact CG2-CG2 4.3Å; M486-I515 HydrophobicContact CE-CG2 4.05Å; M486-I515 HydrophobicContact SD-CG2 4.39Å; I488-I515 HydrophobicContact CD1-CG1 3.93Å; I488-I515 HydrophobicContact CG1-CG1 4.02Å; L511-I515 HydrophobicContact CD1-CD1 4.35Å; L511-I515 HydrophobicContact CG-CD1 3.95Å; L511-I515 WeakPolarHBondContact O-CG1 3.34Å; L511-I515 PolarHBondContact O-N 2.94Å; G512-I515 PolarHBondContact O-N 3.36Å; W513-I515 VanDerWaalsContact C-N 3.35Å; W513-I515 PolarHBondContact O-N 2.99Å; I515-E518 PolarHBondContact O-N 3.14Å; I515-F519 HydrophobicContact CG2-CD2 3.77Å; I515-F519 HydrophobicContact CG2-CE2 3.81Å; I515-F519 WeakPolarHBondContact O-CB 3.32Å; I515-F519 VanDerWaalsContact O-CD2 3.3Å; I515-F519 WeakPolarHBondContact O-CD2 3.26Å; I515-F519 PolarHBondContact O-N 2.93Å
516	A	97.3	Very high	94.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.4	-39.4	178.8	0	0	0	0	0	112.1	V406 G512 W513 I514 F519 M520 G585 I588 M589	V406-A516 HydrophobicContact CG1-CB 3.81Å; G512-A516 WeakPolarHBondContact O-CB 3.5Å; G512-A516 PolarHBondContact O-N 2.94Å; W513-A516 PolarHBondContact O-N 3.28Å; I514-A516 VanDerWaalsContact C-N 3.34Å; I514-A516 PolarHBondContact O-N 2.76Å; A516-F519 WeakPolarHBondContact O-CB 3.4Å; A516-F519 PolarHBondContact O-N 3Å; A516-M520 WeakPolarHBondContact O-CG 3.06Å; A516-M520 PolarHBondContact O-N 3.17Å; A516-G585 WeakPolarHBondContact CB-O 3.45Å; A516-I588 HydrophobicContact CB-CB 4.28Å; A516-I588 HydrophobicContact CB-CG2 4.03Å; A516-M589 HydrophobicContact CB-CB 4.09Å
517	H	97.4	Very high	94.2	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.032	5%	0.047	C	C	.	.	H	α-helix	trans	-59.3	-52.2	174.7	175.6	102.5	0	0	0	110.9	W513 I514 F519 M520 H521 E578 A581 D582 R647	W513-H517 HydrophobicContact CZ2-CB 4.25Å; W513-H517 AromaticContact CZ2-ND1 3.68Å; W513-H517 VanDerWaalsContact O-CB 3.26Å; W513-H517 WeakPolarHBondContact O-CB 3.31Å; W513-H517 PolarHBondContact O-N 3.4Å; I514-H517 WeakPolarHBondContact O-CB 3.48Å; I514-H517 PolarHBondContact O-N 2.89Å; H517-F519 VanDerWaalsContact C-N 3.26Å; H517-F519 PolarHBondContact O-N 3.11Å; H517-M520 WeakPolarHBondContact O-CB 3.48Å; H517-M520 PolarHBondContact O-N 3.42Å; H517-H521 AromaticContact CD2-NE2 3.9Å; H517-H521 AromaticContact NE2-NE2 3.45Å; H517-H521 PolarHBondContact NE2-NE2 3.4Å; H517-H521 PolarHBondContact O-N 3.33Å; H517-E578 IonicContact CE1-OE2 3.42Å; H517-E578 IonicContact NE2-OE2 2.95Å; H517-A581 VanDerWaalsContact CE1-CB 3.43Å; H517-A581 WeakPolarHBondContact CE1-CB 2.99Å; H517-A581 VanDerWaalsContact ND1-C 3.33Å; H517-D582 IonicContact CE1-OD1 2.69Å; H517-D582 PolarHBondContact CE1-OD1 3.43Å; H517-D582 PolarHBondContact ND1-N 2.99Å; H517-D582 IonicContact ND1-OD1 2.68Å; H517-D582 PolarHBondContact ND1-OD1 2.81Å; H517-D582 VanDerWaalsContact ND1-OD1 3.09Å; H517-R647 PolarHBondContact CE1-NH2 3.1Å; H517-R647 VanDerWaalsContact CE1-NH2 3.29Å
518	E	95.7	Very high	93.8	Very high	18 Å²	18	7.8 Å²	7.8	8%	0.084	4%	0.038	C	C	.	.	H	α-helix	trans	-62.9	-33.9	177.6	-65.2	-45	139.8	0	0	112.5	A477 Y478 Y479 M486 I488 I514 I515 M520 H521	A477-E518 HydrophobicContact CB-CG 3.85Å; Y478-E518 WeakPolarHBondContact CA-OE2 3.49Å; Y479-E518 WeakPolarHBondContact CB-O 3.36Å; Y479-E518 WeakPolarHBondContact CD2-O 3.37Å; Y479-E518 PolarHBondContact N-OE2 3.4Å; M486-E518 HydrophobicContact CG-CB 3.63Å; M486-E518 HydrophobicContact CG-CG 4.18Å; M486-E518 HydrophobicContact SD-CB 3.41Å; M486-E518 WeakPolarHBondContact SD-CB 3.35Å; M486-E518 HydrophobicContact SD-CG 4.25Å; I488-E518 HydrophobicContact CD1-CG 4.25Å; I514-E518 HydrophobicContact CG2-CG 4.46Å; I514-E518 WeakPolarHBondContact O-CG 3.13Å; I514-E518 PolarHBondContact O-N 3.44Å; I515-E518 PolarHBondContact O-N 3.14Å; E518-M520 VanDerWaalsContact C-N 3.29Å; E518-M520 PolarHBondContact O-N 3.47Å; E518-H521 WeakPolarHBondContact O-CB 3.06Å; E518-H521 PolarHBondContact O-N 3.24Å; E518-H521 IonicContact OE2-CD2 3.79Å
519	F	93.7	Very high	93.3	Very high	21 Å²	21	8.9 Å²	8.9	9%	0.092	5%	0.045	C	C	.	.	H	α-helix	trans	-65.1	-31.4	172.6	-93.5	-54.1	0	0	0	113.4	V403 V406 R407 I410 Y432 M486 I515 A516 H517 H521 A522	V403-F519 HydrophobicContact CG1-CE2 3.87Å; V403-F519 HydrophobicContact CG1-CZ 3.78Å; V406-F519 HydrophobicContact CB-CE2 4.48Å; V406-F519 HydrophobicContact CG1-CD2 3.71Å; V406-F519 HydrophobicContact CG1-CE2 4.12Å; R407-F519 HydrophobicContact CB-CE2 4.43Å; R407-F519 HydrophobicContact CB-CZ 4.12Å; I410-F519 HydrophobicContact CD1-CB 3.43Å; I410-F519 VanDerWaalsContact CD1-CB 3.43Å; I410-F519 HydrophobicContact CD1-CD1 4.42Å; I410-F519 HydrophobicContact CD1-CD2 4.01Å; I410-F519 HydrophobicContact CD1-CG 3.75Å; Y432-F519 HydrophobicContact CD1-CD1 4.26Å; Y432-F519 HydrophobicContact CD1-CE1 4.03Å; Y432-F519 AromaticContact CE1-CD1 3.52Å; Y432-F519 HydrophobicContact CE1-CD1 3.52Å; Y432-F519 AromaticContact CE1-CE1 3.77Å; Y432-F519 HydrophobicContact CE1-CE1 3.77Å; Y432-F519 HydrophobicContact CE1-CG 4.42Å; Y432-F519 PolarHBondContact OH-O 3.47Å; M486-F519 HydrophobicContact CE-CD2 4.31Å; M486-F519 HydrophobicContact CE-CE2 3.99Å; M486-F519 HydrophobicContact CE-CZ 4.19Å; M486-F519 HydrophobicContact SD-CD2 4.4Å; I515-F519 HydrophobicContact CG2-CD2 3.77Å; I515-F519 HydrophobicContact CG2-CE2 3.81Å; I515-F519 WeakPolarHBondContact O-CB 3.32Å; I515-F519 VanDerWaalsContact O-CD2 3.3Å; I515-F519 WeakPolarHBondContact O-CD2 3.26Å; I515-F519 PolarHBondContact O-N 2.93Å; A516-F519 WeakPolarHBondContact O-CB 3.4Å; A516-F519 PolarHBondContact O-N 3Å; H517-F519 VanDerWaalsContact C-N 3.26Å; H517-F519 PolarHBondContact O-N 3.11Å; F519-H521 VanDerWaalsContact C-N 3.26Å; F519-H521 PolarHBondContact O-N 3.18Å; F519-A522 WeakPolarHBondContact O-CB 3.49Å; F519-A522 PolarHBondContact O-N 2.89Å; F519-A522 VanDerWaalsContact O-N 3.14Å
520	M	93.6	Very high	92.5	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-66.4	-29.8	176.4	-67.1	-57.9	92.2	0	0	111.8	I410 A516 H517 E518 A522 I523 D524 A581 I588 W679	I410-M520 HydrophobicContact CD1-CE 3.52Å; I410-M520 HydrophobicContact CG1-CE 3.68Å; I410-M520 HydrophobicContact CG2-CE 4.11Å; A516-M520 WeakPolarHBondContact O-CG 3.06Å; A516-M520 PolarHBondContact O-N 3.17Å; H517-M520 WeakPolarHBondContact O-CB 3.48Å; H517-M520 PolarHBondContact O-N 3.42Å; E518-M520 VanDerWaalsContact C-N 3.29Å; E518-M520 PolarHBondContact O-N 3.47Å; M520-A522 PolarHBondContact O-N 2.97Å; M520-I523 HydrophobicContact CE-CD1 4.09Å; M520-I523 CarbonylContact O-C 3.57Å; M520-I523 WeakPolarHBondContact O-CG1 3.39Å; M520-I523 PolarHBondContact O-N 2.67Å; M520-I523 HydrophobicContact SD-CD1 4.35Å; M520-D524 PolarHBondContact O-N 3.34Å; M520-A581 HydrophobicContact CB-CB 3.95Å; M520-I588 HydrophobicContact CE-CG1 3.97Å; M520-I588 HydrophobicContact SD-CG1 4.33Å; M520-W679 HydrophobicContact SD-CZ2 3.95Å
521	H	93	Very high	91.4	Very high	20 Å²	20	11.6 Å²	11.6	9%	0.093	6%	0.057	C	C	.	.	H	α-helix	trans	-62.7	-21.8	173.1	-73.3	-54.4	0	0	0	113.4	Y479 H517 E518 F519 I523 D524 G527 E578	Y479-H521 HydrophobicContact CD1-CB 3.8Å; Y479-H521 HydrophobicContact CG-CB 3.92Å; H517-H521 AromaticContact CD2-NE2 3.9Å; H517-H521 AromaticContact NE2-NE2 3.45Å; H517-H521 PolarHBondContact NE2-NE2 3.4Å; H517-H521 PolarHBondContact O-N 3.33Å; E518-H521 WeakPolarHBondContact O-CB 3.06Å; E518-H521 PolarHBondContact O-N 3.24Å; E518-H521 IonicContact OE2-CD2 3.79Å; F519-H521 VanDerWaalsContact C-N 3.26Å; F519-H521 PolarHBondContact O-N 3.18Å; H521-I523 PolarHBondContact O-N 3.28Å; H521-D524 WeakPolarHBondContact CA-OD2 3.31Å; H521-D524 IonicContact CE1-OD2 2.77Å; H521-D524 IonicContact CG-OD2 2.61Å; H521-D524 IonicContact ND1-OD2 2.89Å; H521-D524 PolarHBondContact ND1-OD2 3.33Å; H521-G527 WeakPolarHBondContact O-CA 3.39Å; H521-E578 IonicContact CE1-OE1 2.8Å; H521-E578 PolarHBondContact CE1-OE1 3.38Å; H521-E578 IonicContact NE2-OE1 3.9Å
522	A	88.8	Confident	90.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.5	171.8	0	0	0	0	0	113	K431 Y479 F519 M520 G527	K431-A522 WeakPolarHBondContact CD-O 3.37Å; K431-A522 VanDerWaalsContact CE-O 3.3Å; K431-A522 WeakPolarHBondContact CE-O 3.42Å; K431-A522 PolarHBondContact NZ-O 3.02Å; Y479-A522 HydrophobicContact CE1-CB 4.12Å; Y479-A522 HydrophobicContact CE2-CB 3.68Å; Y479-A522 VanDerWaalsContact CZ-CA 3.41Å; Y479-A522 VanDerWaalsContact CZ-CB 3.43Å; Y479-A522 WeakPolarHBondContact OH-CA 3.48Å; Y479-A522 WeakPolarHBondContact OH-CB 3.07Å; F519-A522 WeakPolarHBondContact O-CB 3.49Å; F519-A522 PolarHBondContact O-N 2.89Å; F519-A522 VanDerWaalsContact O-N 3.14Å; M520-A522 PolarHBondContact O-N 2.97Å; A522-G527 CarbonylContact O-C 3.54Å; A522-G527 VanDerWaalsContact O-C 3.26Å; A522-G527 WeakPolarHBondContact O-CA 2.96Å
523	I	88.7	Confident	88.9	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	19.4	-169.4	63.9	177.5	0	0	0	112.4	I410 V414 V428 Y432 M520 H521 V528 N549 W679	I410-I523 HydrophobicContact CG2-CD1 4.28Å; V414-I523 HydrophobicContact CG2-CD1 4.45Å; V428-I523 HydrophobicContact CB-CG2 4.33Å; V428-I523 HydrophobicContact CG1-CB 4.5Å; V428-I523 HydrophobicContact CG1-CD1 4.14Å; V428-I523 HydrophobicContact CG1-CG2 3.75Å; V428-I523 HydrophobicContact CG2-CB 4.25Å; V428-I523 HydrophobicContact CG2-CG2 3.88Å; Y432-I523 HydrophobicContact CE2-CG2 4.23Å; M520-I523 HydrophobicContact CE-CD1 4.09Å; M520-I523 CarbonylContact O-C 3.57Å; M520-I523 WeakPolarHBondContact O-CG1 3.39Å; M520-I523 PolarHBondContact O-N 2.67Å; M520-I523 HydrophobicContact SD-CD1 4.35Å; H521-I523 PolarHBondContact O-N 3.28Å; I523-V528 WeakPolarHBondContact O-CG1 3.46Å; I523-N549 PolarHBondContact O-ND2 3.09Å; I523-W679 HydrophobicContact CD1-CH2 3.37Å; I523-W679 HydrophobicContact CD1-CZ2 3.6Å; I523-W679 HydrophobicContact CD1-CZ3 4.35Å; I523-W679 HydrophobicContact CG1-CH2 4.35Å; I523-W679 HydrophobicContact CG1-CZ2 4.29Å
524	D	91.1	Very high	87.5	Confident	3 Å²	3	17 Å²	17	2%	0.016	9%	0.087	C	C	.	.	S	Bend	trans	-79	-165.9	176.4	74.6	20.3	0	0	0	112.5	M520 H521 I526 G527 V528 N549 N577 L580	M520-D524 PolarHBondContact O-N 3.34Å; H521-D524 WeakPolarHBondContact CA-OD2 3.31Å; H521-D524 IonicContact CE1-OD2 2.77Å; H521-D524 IonicContact CG-OD2 2.61Å; H521-D524 IonicContact ND1-OD2 2.89Å; H521-D524 PolarHBondContact ND1-OD2 3.33Å; D524-I526 PolarHBondContact O-N 3.23Å; D524-I526 WeakPolarHBondContact OD1-CA 3.43Å; D524-I526 PolarHBondContact OD1-N 2.87Å; D524-G527 PolarHBondContact OD1-N 2.97Å; D524-V528 WeakPolarHBondContact O-CG1 3.43Å; D524-V528 VanDerWaalsContact O-CG2 3.26Å; D524-V528 WeakPolarHBondContact O-CG2 3.13Å; D524-V528 PolarHBondContact O-N 2.99Å; D524-N549 VanDerWaalsContact C-ND2 3.26Å; D524-N549 PolarHBondContact O-ND2 2.93Å; D524-N577 HydrophobicContact CB-CB 4.34Å; D524-N577 WeakPolarHBondContact CB-OD1 3.13Å; D524-N577 VanDerWaalsContact CG-ND2 3.31Å; D524-N577 PolarHBondContact OD1-ND2 3.42Å; D524-N577 WeakPolarHBondContact OD2-CB 3.31Å; D524-N577 PolarHBondContact OD2-ND2 3.32Å; D524-N577 VanDerWaalsContact OD2-ND2 3.11Å; D524-L580 HydrophobicContact CB-CD2 3.64Å
525	I	89.7	Confident	86.3	Confident	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.6	-177.9	-58.4	168.7	0	0	0	111.3	M546 N549 M550 T553 I573 R576 N577	I525-M546 HydrophobicContact CG2-CE 4.1Å; I525-M546 HydrophobicContact CG2-CG 3.71Å; I525-N549 HydrophobicContact CG1-CB 3.91Å; I525-M550 HydrophobicContact CD1-CG 4.07Å; I525-M550 HydrophobicContact CG1-CG 4.21Å; I525-M550 HydrophobicContact CG2-CG 3.83Å; I525-M550 HydrophobicContact CG2-SD 4.41Å; I525-T553 HydrophobicContact CD1-CG2 4.34Å; I525-I573 HydrophobicContact CG2-CG2 4.34Å; I525-R576 HydrophobicContact CD1-CB 3.65Å; I525-N577 WeakPolarHBondContact CB-OD1 3.32Å; I525-N577 VanDerWaalsContact CG1-OD1 3.3Å; I525-N577 WeakPolarHBondContact CG1-OD1 3.24Å; I525-N577 PolarHBondContact N-OD1 3.2Å
526	I	86.7	Confident	85.1	Confident	66 Å²	66	28.3 Å²	28.3	34%	0.338	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-42.8	-179.7	-61.4	174.5	0	0	0	109.8	T481 D524 V528 L529 I573 N577	T481-I526 HydrophobicContact CG2-CG2 4.49Å; D524-I526 PolarHBondContact O-N 3.23Å; D524-I526 WeakPolarHBondContact OD1-CA 3.43Å; D524-I526 PolarHBondContact OD1-N 2.87Å; I526-V528 VanDerWaalsContact C-N 3.27Å; I526-V528 PolarHBondContact O-N 3Å; I526-L529 WeakPolarHBondContact O-CA 3.48Å; I526-L529 VanDerWaalsContact O-CB 3.24Å; I526-L529 WeakPolarHBondContact O-CB 3.44Å; I526-L529 PolarHBondContact O-N 2.77Å; I526-I573 HydrophobicContact CD1-CG2 4.08Å; I526-I573 HydrophobicContact CG1-CG2 4.17Å; I526-N577 WeakPolarHBondContact CD1-ND2 3.48Å; I526-N577 WeakPolarHBondContact CG1-ND2 3.37Å
527	G	86.7	Confident	84.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-57.3	-35.8	-177.5	0	0	0	0	0	113.8	K431 H521 A522 D524 L529 E530	K431-G527 PolarHBondContact NZ-O 2.81Å; H521-G527 WeakPolarHBondContact O-CA 3.39Å; A522-G527 CarbonylContact O-C 3.54Å; A522-G527 VanDerWaalsContact O-C 3.26Å; A522-G527 WeakPolarHBondContact O-CA 2.96Å; D524-G527 PolarHBondContact OD1-N 2.97Å; G527-L529 PolarHBondContact O-N 2.9Å; G527-E530 PolarHBondContact O-N 2.94Å; G527-E530 VanDerWaalsContact O-N 3.14Å
528	V	87.1	Confident	83	Confident	1 Å²	1	37 Å²	37	1%	0.006	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-67.8	-17.8	175	-64.4	0	0	0	0	113.9	I523 D524 I526 R537 M546 N549	I523-V528 WeakPolarHBondContact O-CG1 3.46Å; D524-V528 WeakPolarHBondContact O-CG1 3.43Å; D524-V528 VanDerWaalsContact O-CG2 3.26Å; D524-V528 WeakPolarHBondContact O-CG2 3.13Å; D524-V528 PolarHBondContact O-N 2.99Å; I526-V528 VanDerWaalsContact C-N 3.27Å; I526-V528 PolarHBondContact O-N 3Å; V528-R537 PolarHBondContact O-NH1 2.76Å; V528-M546 HydrophobicContact CG2-CB 4.1Å; V528-N549 WeakPolarHBondContact CG1-ND2 3.38Å
529	L	85.1	Confident	82.2	Confident	35 Å²	35	38 Å²	38	18%	0.183	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-81.9	-2.9	175.2	-56.3	177.2	0	0	0	112.4	I526 G527 Q536 R537 M546	I526-L529 WeakPolarHBondContact O-CA 3.48Å; I526-L529 VanDerWaalsContact O-CB 3.24Å; I526-L529 WeakPolarHBondContact O-CB 3.44Å; I526-L529 PolarHBondContact O-N 2.77Å; G527-L529 PolarHBondContact O-N 2.9Å; L529-Q536 CarbonylContact O-C 3.28Å; L529-Q536 WeakPolarHBondContact O-CA 3.14Å; L529-R537 WeakPolarHBondContact O-CB 3.14Å; L529-R537 PolarHBondContact O-N 2.93Å; L529-M546 HydrophobicContact CD1-SD 3.98Å; L529-M546 HydrophobicContact CD2-CB 3.96Å; L529-M546 HydrophobicContact CD2-CG 4.46Å; L529-M546 HydrophobicContact CD2-SD 4.18Å
530	E	81.1	Confident	81.6	Confident	28 Å²	28	47.5 Å²	47.5	13%	0.131	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-124.4	131.5	-177.2	-63.4	-168.3	-150.3	0	0	112	F427 K431 T481 N482 G527 N535	F427-E530 WeakPolarHBondContact CZ-O 3.48Å; K431-E530 PolarHBondContact NZ-O 2.89Å; T481-E530 VanDerWaalsContact CB-CD 3.46Å; T481-E530 WeakPolarHBondContact CB-OE1 3.47Å; T481-E530 WeakPolarHBondContact CB-OE2 3.15Å; T481-E530 PolarHBondContact OG1-OE1 2.61Å; T481-E530 PolarHBondContact OG1-OE2 2.68Å; N482-E530 WeakPolarHBondContact CA-OE2 3.22Å; N482-E530 PolarHBondContact N-OE2 2.81Å; G527-E530 PolarHBondContact O-N 2.94Å; G527-E530 VanDerWaalsContact O-N 3.14Å; E530-N535 CarbonylContact C-O 3.58Å; E530-N535 WeakPolarHBondContact CA-O 3.32Å
531	D	75.5	Confident	81	Confident	31 Å²	31	50.6 Å²	50.6	17%	0.166	25%	0.252	C	S	.	.			trans	-72.9	178.9	-178.3	81.8	3.1	0	0	0	112.8	N533 G534 N535 R537	D531-N533 PolarHBondContact O-N 2.8Å; D531-N533 VanDerWaalsContact O-N 3.12Å; D531-N533 VanDerWaalsContact OD1-CA 3.29Å; D531-N533 WeakPolarHBondContact OD1-CA 3.05Å; D531-N533 WeakPolarHBondContact OD1-CB 3.28Å; D531-N533 PolarHBondContact OD1-N 3.48Å; D531-N533 PolarHBondContact OD2-ND2 3.33Å; D531-G534 PolarHBondContact O-N 2.78Å; D531-G534 PolarHBondContact OD1-N 3.35Å; D531-N535 PolarHBondContact N-O 3.34Å; D531-N535 PolarHBondContact OD1-N 3.4Å; D531-N535 PolarHBondContact OD2-ND2 2.81Å; D531-R537 HydrophobicContact CB-CG 3.83Å
532	F	75.7	Confident	80.5	Confident	59 Å²	59	49.7 Å²	49.7	26%	0.259	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.8	-179.4	61.7	-90.3	0	0	0	114.6	Y445 K448 N484	Y445-F532 HydrophobicContact CD1-CE2 4.39Å; Y445-F532 HydrophobicContact CE1-CE2 4.29Å; Y445-F532 HydrophobicContact CE1-CZ 4.35Å; K448-F532 HydrophobicContact CD-CE2 3.95Å; K448-F532 HydrophobicContact CD-CZ 4.42Å; K448-F532 VanDerWaalsContact NZ-CE2 3.27Å; N484-F532 VanDerWaalsContact ND2-CA 3.35Å; N484-F532 WeakPolarHBondContact ND2-CA 3.33Å; N484-F532 PolarHBondContact ND2-O 2.81Å
533	N	66.4	Low	80.3	Confident	46 Å²	46	54.3 Å²	54.3	25%	0.246	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-1.6	174.9	-47.6	-73.6	0	0	0	112.2	K448 D531	K448-N533 WeakPolarHBondContact CE-OD1 3.47Å; K448-N533 PolarHBondContact NZ-ND2 3.39Å; D531-N533 PolarHBondContact O-N 2.8Å; D531-N533 VanDerWaalsContact O-N 3.12Å; D531-N533 VanDerWaalsContact OD1-CA 3.29Å; D531-N533 WeakPolarHBondContact OD1-CA 3.05Å; D531-N533 WeakPolarHBondContact OD1-CB 3.28Å; D531-N533 PolarHBondContact OD1-N 3.48Å; D531-N533 PolarHBondContact OD2-ND2 3.33Å
534	G	69.3	Low	80.1	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	28%	0.281	C	S	.	.	S	Bend	trans	81	15.7	-174	0	0	0	0	0	114.3	N482 D531	N482-G534 WeakPolarHBondContact O-CA 3.49Å; D531-G534 PolarHBondContact O-N 2.78Å; D531-G534 PolarHBondContact OD1-N 3.35Å
535	N	72.2	Confident	79.9	Confident	93 Å²	93	55.6 Å²	55.6	50%	0.497	28%	0.281	S	S	.	.			trans	-84.8	144.8	174.1	-54.2	-55.9	0	0	0	110.6	E530 D531 R537	E530-N535 CarbonylContact C-O 3.58Å; E530-N535 WeakPolarHBondContact CA-O 3.32Å; D531-N535 PolarHBondContact N-O 3.34Å; D531-N535 PolarHBondContact OD1-N 3.4Å; D531-N535 PolarHBondContact OD2-ND2 2.81Å; N535-R537 PolarHBondContact O-N 2.87Å
536	Q	73.2	Confident	79.7	Confident	148 Å²	148	57.5 Å²	57.5	69%	0.692	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-63.3	126.6	173.1	-168.3	-180	3.8	0	0	111.5	L529 L538	L529-Q536 CarbonylContact O-C 3.28Å; L529-Q536 WeakPolarHBondContact O-CA 3.14Å; Q536-L538 HydrophobicContact CG-CD2 4.16Å
537	R	75	Confident	79.7	Confident	46 Å²	46	59.7 Å²	59.7	17%	0.174	30%	0.301	C	S	.	.			trans	-85.2	109.6	173.2	-64.5	173.7	66.6	-150.3	8.1	109.8	F427 V528 L529 D531 N535 S542	F427-R537 VanDerWaalsContact CG-CZ 3.45Å; F427-R537 VanDerWaalsContact CZ-CD 3.41Å; V528-R537 PolarHBondContact O-NH1 2.76Å; L529-R537 WeakPolarHBondContact O-CB 3.14Å; L529-R537 PolarHBondContact O-N 2.93Å; D531-R537 HydrophobicContact CB-CG 3.83Å; N535-R537 PolarHBondContact O-N 2.87Å; R537-S542 PolarHBondContact O-OG 2.98Å
538	L	75	Confident	79.7	Confident	143 Å²	143	60.6 Å²	60.6	75%	0.749	31%	0.308	S	S	*	.			trans	-89.9	138.7	171.3	-55.3	178	0	0	0	109.6	Q536	Q536-L538 HydrophobicContact CG-CD2 4.16Å
539	G	79.2	Confident	79.7	Confident	39 Å²	39	60.6 Å²	60.6	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	129	179.2	172.1	0	0	0	0	0	115.6	D541 S542 H543	G539-D541 PolarHBondContact O-N 3.49Å; G539-S542 PolarHBondContact O-OG 2.87Å; G539-S542 VanDerWaalsContact O-OG 3.09Å; G539-H543 PolarHBondContact O-N 2.76Å; G539-H543 PolarHBondContact O-ND1 3.15Å
540	R	81.4	Confident	79.8	Confident	221 Å²	221	61.6 Å²	61.6	83%	0.834	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-38.9	-170.4	-172	-178	-67.3	-162.5	0.2	113.3	H543 A544	R540-H543 PolarHBondContact O-N 2.74Å; R540-A544 WeakPolarHBondContact O-CB 3.38Å; R540-A544 PolarHBondContact O-N 3.36Å
541	D	80.1	Confident	80	Confident	65 Å²	65	67.9 Å²	67.9	35%	0.348	34%	0.34	S	S	.	.	H	α-helix	trans	-70.2	-40.6	-174.7	-66.1	-43.8	0	0	0	112.8	N423 G539 A544 G545	N423-D541 PolarHBondContact ND2-OD1 2.75Å; G539-D541 PolarHBondContact O-N 3.49Å; D541-A544 PolarHBondContact O-N 3.18Å; D541-G545 PolarHBondContact O-N 2.88Å
542	S	82.1	Confident	80.4	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-65.3	-41.6	175.8	56.4	0	0	0	0	111.6	R537 G539 A544 G545 M546	R537-S542 PolarHBondContact O-OG 2.98Å; G539-S542 PolarHBondContact O-OG 2.87Å; G539-S542 VanDerWaalsContact O-OG 3.09Å; S542-A544 VanDerWaalsContact C-N 3.34Å; S542-A544 PolarHBondContact O-N 2.88Å; S542-G545 PolarHBondContact O-N 2.97Å; S542-M546 PolarHBondContact O-N 2.91Å
543	H	84.6	Confident	80.9	Confident	98 Å²	98	65.4 Å²	65.4	45%	0.454	33%	0.328	S	S	.	.	H	α-helix	trans	-64.5	-37.3	173.9	-71.5	79.6	0	0	0	112.2	G539 R540 M546 I547	G539-H543 PolarHBondContact O-N 2.76Å; G539-H543 PolarHBondContact O-ND1 3.15Å; R540-H543 PolarHBondContact O-N 2.74Å; H543-M546 PolarHBondContact O-N 3.01Å; H543-I547 WeakPolarHBondContact O-CB 3.39Å; H543-I547 WeakPolarHBondContact O-CD1 3.45Å; H543-I547 WeakPolarHBondContact O-CG1 3.41Å; H543-I547 PolarHBondContact O-N 2.86Å
544	A	85.5	Confident	81.9	Confident	31 Å²	31	66 Å²	66	26%	0.256	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.5	0	0	0	0	0	111.6	R540 D541 S542 I547 A548	R540-A544 WeakPolarHBondContact O-CB 3.38Å; R540-A544 PolarHBondContact O-N 3.36Å; D541-A544 PolarHBondContact O-N 3.18Å; S542-A544 VanDerWaalsContact C-N 3.34Å; S542-A544 PolarHBondContact O-N 2.88Å; A544-I547 PolarHBondContact O-N 3.15Å; A544-A548 VanDerWaalsContact O-CB 3.32Å; A544-A548 WeakPolarHBondContact O-CB 3.47Å; A544-A548 PolarHBondContact O-N 3.21Å
545	G	85.4	Confident	82.7	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-45.5	173.7	0	0	0	0	0	112.6	D541 S542 I547 A548 N549	D541-G545 PolarHBondContact O-N 2.88Å; S542-G545 PolarHBondContact O-N 2.97Å; G545-I547 PolarHBondContact O-N 3.2Å; G545-A548 PolarHBondContact O-N 3.12Å; G545-N549 PolarHBondContact O-N 3.29Å
546	M	86.6	Confident	83.4	Confident	43 Å²	43	62.5 Å²	62.5	21%	0.212	31%	0.312	C	S	.	.	H	α-helix	trans	-58.3	-49.2	175.7	179.7	-167.3	175.4	0	0	111.6	I525 V528 L529 S542 H543 A548 N549 M550	I525-M546 HydrophobicContact CG2-CE 4.1Å; I525-M546 HydrophobicContact CG2-CG 3.71Å; V528-M546 HydrophobicContact CG2-CB 4.1Å; L529-M546 HydrophobicContact CD1-SD 3.98Å; L529-M546 HydrophobicContact CD2-CB 3.96Å; L529-M546 HydrophobicContact CD2-CG 4.46Å; L529-M546 HydrophobicContact CD2-SD 4.18Å; S542-M546 PolarHBondContact O-N 2.91Å; H543-M546 PolarHBondContact O-N 3.01Å; M546-A548 VanDerWaalsContact C-N 3.31Å; M546-A548 PolarHBondContact O-N 3.46Å; M546-N549 PolarHBondContact O-N 3.15Å; M546-M550 HydrophobicContact CE-SD 3.85Å; M546-M550 HydrophobicContact CG-SD 4.28Å; M546-M550 VanDerWaalsContact O-CG 3.32Å; M546-M550 WeakPolarHBondContact O-CG 3.34Å; M546-M550 PolarHBondContact O-N 3.09Å
547	I	87.4	Confident	83.9	Confident	112 Å²	112	58.3 Å²	58.3	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-61.9	-40.8	178.5	-69.9	164.9	0	0	0	110.9	H543 A544 G545 M550 K551	H543-I547 WeakPolarHBondContact O-CB 3.39Å; H543-I547 WeakPolarHBondContact O-CD1 3.45Å; H543-I547 WeakPolarHBondContact O-CG1 3.41Å; H543-I547 PolarHBondContact O-N 2.86Å; A544-I547 PolarHBondContact O-N 3.15Å; G545-I547 PolarHBondContact O-N 3.2Å; I547-M550 PolarHBondContact O-N 2.89Å; I547-K551 WeakPolarHBondContact O-CB 3.42Å; I547-K551 PolarHBondContact O-N 3.4Å
548	A	86	Confident	84.2	Confident	18 Å²	18	58.7 Å²	58.7	15%	0.149	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-46.5	177.5	0	0	0	0	0	111.5	W419 L420 A544 G545 M546 M550 K551 Q552	W419-A548 HydrophobicContact CE3-CB 3.96Å; W419-A548 HydrophobicContact CZ3-CB 4.13Å; L420-A548 HydrophobicContact CD2-CB 4.26Å; A544-A548 VanDerWaalsContact O-CB 3.32Å; A544-A548 WeakPolarHBondContact O-CB 3.47Å; A544-A548 PolarHBondContact O-N 3.21Å; G545-A548 PolarHBondContact O-N 3.12Å; M546-A548 VanDerWaalsContact C-N 3.31Å; M546-A548 PolarHBondContact O-N 3.46Å; A548-M550 PolarHBondContact O-N 3.36Å; A548-K551 PolarHBondContact O-N 3.36Å; A548-Q552 WeakPolarHBondContact O-CG 3.4Å; A548-Q552 PolarHBondContact O-N 2.95Å
549	N	87.1	Confident	84.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-41.6	174.4	-82	-22.7	0	0	0	112.5	W419 I523 D524 I525 V528 G545 M546 Q552 T553	W419-N549 WeakPolarHBondContact CH2-OD1 3.25Å; W419-N549 WeakPolarHBondContact CZ3-OD1 3.42Å; I523-N549 PolarHBondContact O-ND2 3.09Å; D524-N549 VanDerWaalsContact C-ND2 3.26Å; D524-N549 PolarHBondContact O-ND2 2.93Å; I525-N549 HydrophobicContact CG1-CB 3.91Å; V528-N549 WeakPolarHBondContact CG1-ND2 3.38Å; G545-N549 PolarHBondContact O-N 3.29Å; M546-N549 PolarHBondContact O-N 3.15Å; N549-Q552 PolarHBondContact O-N 3.25Å; N549-T553 WeakPolarHBondContact O-CG2 3.49Å; N549-T553 PolarHBondContact O-N 3.35Å; N549-T553 PolarHBondContact O-OG1 2.87Å
550	M	86.4	Confident	85	Confident	56 Å²	56	50.8 Å²	50.8	28%	0.276	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-49.1	173.3	-73.6	179.7	76	0	0	110.7	I525 M546 I547 A548 Q552 T553 D554 R576	I525-M550 HydrophobicContact CD1-CG 4.07Å; I525-M550 HydrophobicContact CG1-CG 4.21Å; I525-M550 HydrophobicContact CG2-CG 3.83Å; I525-M550 HydrophobicContact CG2-SD 4.41Å; M546-M550 HydrophobicContact CE-SD 3.85Å; M546-M550 HydrophobicContact CG-SD 4.28Å; M546-M550 VanDerWaalsContact O-CG 3.32Å; M546-M550 WeakPolarHBondContact O-CG 3.34Å; M546-M550 PolarHBondContact O-N 3.09Å; I547-M550 PolarHBondContact O-N 2.89Å; A548-M550 PolarHBondContact O-N 3.36Å; M550-Q552 PolarHBondContact O-N 2.83Å; M550-T553 WeakPolarHBondContact CA-OG1 3.41Å; M550-T553 PolarHBondContact O-N 2.78Å; M550-T553 VanDerWaalsContact O-N 3.15Å; M550-T553 PolarHBondContact O-OG1 3.41Å; M550-D554 PolarHBondContact O-N 2.91Å; M550-R576 VanDerWaalsContact C-NH2 3.3Å; M550-R576 PolarHBondContact O-NH2 2.84Å
551	K	85.7	Confident	85	Confident	160 Å²	160	42.7 Å²	42.7	70%	0.696	22%	0.219	S	C	*	.	H	α-helix	trans	-59.3	-37.1	178.9	-172.1	176.5	179.1	-179	0	112.4	I547 A548 D554	I547-K551 WeakPolarHBondContact O-CB 3.42Å; I547-K551 PolarHBondContact O-N 3.4Å; A548-K551 PolarHBondContact O-N 3.36Å; K551-D554 WeakPolarHBondContact O-CB 3.4Å; K551-D554 PolarHBondContact O-N 3.07Å
552	Q	83.5	Confident	85.1	Confident	38 Å²	38	46.6 Å²	46.6	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-40.7	176.9	-72.5	-60.5	13.5	0	0	113.5	W419 A548 N549 M550 D554 C555 L678	W419-Q552 HydrophobicContact CD2-CG 3.7Å; W419-Q552 HydrophobicContact CE3-CG 3.67Å; W419-Q552 HydrophobicContact CG-CG 4.15Å; W419-Q552 HydrophobicContact CH2-CG 4.44Å; W419-Q552 HydrophobicContact CZ2-CG 4.43Å; W419-Q552 HydrophobicContact CZ3-CG 4.04Å; A548-Q552 WeakPolarHBondContact O-CG 3.4Å; A548-Q552 PolarHBondContact O-N 2.95Å; N549-Q552 PolarHBondContact O-N 3.25Å; M550-Q552 PolarHBondContact O-N 2.83Å; Q552-D554 PolarHBondContact O-N 3.3Å; Q552-C555 PolarHBondContact O-N 3.24Å; Q552-L678 HydrophobicContact CB-CD2 3.66Å; Q552-L678 HydrophobicContact CG-CD2 4.38Å
553	T	86.9	Confident	85	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-23.1	174.8	54.1	0	0	0	0	112.5	I525 N549 M550 C555 L556 R557 R576 L580	I525-T553 HydrophobicContact CD1-CG2 4.34Å; N549-T553 WeakPolarHBondContact O-CG2 3.49Å; N549-T553 PolarHBondContact O-N 3.35Å; N549-T553 PolarHBondContact O-OG1 2.87Å; M550-T553 WeakPolarHBondContact CA-OG1 3.41Å; M550-T553 PolarHBondContact O-N 2.78Å; M550-T553 VanDerWaalsContact O-N 3.15Å; M550-T553 PolarHBondContact O-OG1 3.41Å; T553-C555 VanDerWaalsContact C-N 3.31Å; T553-C555 PolarHBondContact O-N 2.87Å; T553-L556 PolarHBondContact O-N 3.49Å; T553-R557 WeakPolarHBondContact O-CB 3.28Å; T553-R557 PolarHBondContact O-N 2.96Å; T553-R576 HydrophobicContact CG2-CB 4.32Å; T553-R576 PolarHBondContact OG1-NE 3.32Å; T553-R576 PolarHBondContact OG1-NH2 2.76Å; T553-L580 HydrophobicContact CG2-CB 3.99Å; T553-L580 HydrophobicContact CG2-CD1 4.04Å
554	D	87.3	Confident	84.6	Confident	60 Å²	60	47.6 Å²	47.6	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-36.5	176.8	-71.7	-29.2	0	0	0	112.8	M550 K551 Q552 R557 S558 R576	M550-D554 PolarHBondContact O-N 2.91Å; K551-D554 WeakPolarHBondContact O-CB 3.4Å; K551-D554 PolarHBondContact O-N 3.07Å; Q552-D554 PolarHBondContact O-N 3.3Å; D554-R557 IonicContact OD1-CZ 3.85Å; D554-R557 IonicContact OD1-NE 2.89Å; D554-R557 IonicContact OD1-NH1 3.88Å; D554-R557 IonicContact OD1-NH2 2.89Å; D554-R557 PolarHBondContact OD1-NH2 2.88Å; D554-R557 VanDerWaalsContact OD1-NH2 3.09Å; D554-S558 PolarHBondContact O-N 3.04Å; D554-R576 IonicContact OD1-CZ 3.38Å; D554-R576 IonicContact OD1-NH1 3.09Å; D554-R576 IonicContact OD1-NH2 3.95Å; D554-R576 PolarHBondContact OD1-NH2 3.18Å
555	C	85.5	Confident	83.7	Confident	32 Å²	32	50.7 Å²	50.7	22%	0.216	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-55.3	174.1	-172.7	0	0	0	0	110	Q552 T553 R557 S558 C676	Q552-C555 PolarHBondContact O-N 3.24Å; T553-C555 VanDerWaalsContact C-N 3.31Å; T553-C555 PolarHBondContact O-N 2.87Å; C555-R557 VanDerWaalsContact C-N 3.34Å; C555-R557 PolarHBondContact O-N 2.68Å; C555-S558 WeakPolarHBondContact O-CB 3.4Å; C555-S558 PolarHBondContact O-N 2.85Å; C555-S558 PolarHBondContact O-OG 3.37Å; C555-C676 VanDerWaalsContact CA-SG 3.59Å; C555-C676 HydrophobicContact CB-CB 3.75Å; C555-C676 WeakPolarHBondContact CB-SG 3.39Å; C555-C676 PolarHBondContact O-SG 3.36Å; C555-C676 VanDerWaalsContact SG-CA 3.57Å; C555-C676 WeakPolarHBondContact SG-CB 3.46Å; C555-C676 CovalentContact SG-SG 2.03Å; C555-C676 PolarHBondContact SG-SG 3.22Å
556	L	87.1	Confident	83.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-44	-178.3	-70.3	169.6	0	0	0	111.4	T553 S558 H559 Y560 I579 N583 N654 C676 L678	T553-L556 PolarHBondContact O-N 3.49Å; L556-S558 PolarHBondContact O-N 3.46Å; L556-S558 VanDerWaalsContact O-N 3.14Å; L556-H559 WeakPolarHBondContact O-CA 3.33Å; L556-H559 VanDerWaalsContact O-CB 3.32Å; L556-H559 WeakPolarHBondContact O-CB 3.29Å; L556-H559 PolarHBondContact O-N 2.79Å; L556-Y560 VanDerWaalsContact O-CD2 3.32Å; L556-Y560 WeakPolarHBondContact O-CD2 3.2Å; L556-Y560 PolarHBondContact O-N 3.16Å; L556-Y560 VanDerWaalsContact O-N 3.15Å; L556-I579 HydrophobicContact CB-CG2 3.56Å; L556-I579 HydrophobicContact CD1-CG2 3.68Å; L556-I579 HydrophobicContact CG-CG2 4.2Å; L556-N583 HydrophobicContact CD1-CB 4.12Å; L556-N583 WeakPolarHBondContact CD2-OD1 3.41Å; L556-N654 HydrophobicContact CD2-CB 4.18Å; L556-N654 VanDerWaalsContact CD2-ND2 3.32Å; L556-N654 WeakPolarHBondContact CD2-ND2 3.26Å; L556-C676 HydrophobicContact CD2-CB 3.5Å; L556-C676 VanDerWaalsContact CD2-CB 3.5Å; L556-C676 HydrophobicContact CG-CB 3.77Å; L556-C676 PolarHBondContact N-SG 3.06Å; L556-C676 VanDerWaalsContact N-SG 3.43Å; L556-L678 HydrophobicContact CD1-CD1 3.55Å; L556-L678 HydrophobicContact CD1-CD2 3.81Å; L556-L678 HydrophobicContact CD1-CG 3.72Å
557	R	83.7	Confident	82.7	Confident	59 Å²	59	54.9 Å²	54.9	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-48.4	-44.3	176.4	-179.3	-178.1	67.5	171.1	-13.1	112	T553 D554 C555 H559 Y560 K561 S570 D571	T553-R557 WeakPolarHBondContact O-CB 3.28Å; T553-R557 PolarHBondContact O-N 2.96Å; D554-R557 IonicContact OD1-CZ 3.85Å; D554-R557 IonicContact OD1-NE 2.89Å; D554-R557 IonicContact OD1-NH1 3.88Å; D554-R557 IonicContact OD1-NH2 2.89Å; D554-R557 PolarHBondContact OD1-NH2 2.88Å; D554-R557 VanDerWaalsContact OD1-NH2 3.09Å; C555-R557 VanDerWaalsContact C-N 3.34Å; C555-R557 PolarHBondContact O-N 2.68Å; R557-H559 PolarHBondContact O-N 3.36Å; R557-Y560 PolarHBondContact O-N 3.38Å; R557-K561 HydrophobicContact CG-CD 4.19Å; R557-K561 HydrophobicContact CG-CG 4.25Å; R557-K561 WeakPolarHBondContact O-CB 3.34Å; R557-K561 WeakPolarHBondContact O-CG 3.49Å; R557-K561 PolarHBondContact O-N 3.43Å; R557-S570 WeakPolarHBondContact CD-O 3.31Å; R557-D571 VanDerWaalsContact CD-OD1 3.25Å; R557-D571 WeakPolarHBondContact CD-OD1 3.38Å; R557-D571 IonicContact CZ-OD1 2.96Å; R557-D571 IonicContact NE-OD1 3.41Å; R557-D571 IonicContact NH1-OD1 3.54Å; R557-D571 PolarHBondContact NH1-OD1 3.38Å
558	S	82.3	Confident	82.4	Confident	55 Å²	55	55 Å²	55	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-31.6	178.7	75.6	0	0	0	0	113.1	D554 C555 L556	D554-S558 PolarHBondContact O-N 3.04Å; C555-S558 WeakPolarHBondContact O-CB 3.4Å; C555-S558 PolarHBondContact O-N 2.85Å; C555-S558 PolarHBondContact O-OG 3.37Å; L556-S558 PolarHBondContact O-N 3.46Å; L556-S558 VanDerWaalsContact O-N 3.14Å
559	H	83.7	Confident	82.3	Confident	15 Å²	15	54.4 Å²	54.4	7%	0.069	26%	0.263	C	S	.	.	H	α-helix	trans	-73.3	-43	175.3	-71.4	-162.4	0	0	0	111.7	L556 R557 R562 N654 K674	L556-H559 WeakPolarHBondContact O-CA 3.33Å; L556-H559 VanDerWaalsContact O-CB 3.32Å; L556-H559 WeakPolarHBondContact O-CB 3.29Å; L556-H559 PolarHBondContact O-N 2.79Å; R557-H559 PolarHBondContact O-N 3.36Å; H559-R562 PolarHBondContact O-NE 3.47Å; H559-R562 VanDerWaalsContact O-NE 3.13Å; H559-N654 PolarHBondContact CE1-OD1 3.32Å; H559-N654 VanDerWaalsContact CE1-OD1 3.23Å; H559-N654 PolarHBondContact ND1-OD1 3.37Å; H559-K674 PolarHBondContact CE1-O 2.9Å; H559-K674 PolarHBondContact NE2-O 2.81Å
560	Y	85.6	Confident	82.1	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-70.5	-33.8	-179.7	-77	-102.6	0	0	0	112.6	L556 R557 R562 H563 S566 I579 N583 F642 Y646 G650 A651	L556-Y560 VanDerWaalsContact O-CD2 3.32Å; L556-Y560 WeakPolarHBondContact O-CD2 3.2Å; L556-Y560 PolarHBondContact O-N 3.16Å; L556-Y560 VanDerWaalsContact O-N 3.15Å; R557-Y560 PolarHBondContact O-N 3.38Å; Y560-R562 PolarHBondContact O-N 3.2Å; Y560-H563 PolarHBondContact O-CD2 2.91Å; Y560-H563 PolarHBondContact O-N 3.14Å; Y560-S566 WeakPolarHBondContact O-CB 3.43Å; Y560-S566 PolarHBondContact O-OG 2.9Å; Y560-I579 HydrophobicContact CD1-CG1 4.43Å; Y560-I579 HydrophobicContact CD2-CD1 4.32Å; Y560-I579 HydrophobicContact CD2-CG1 4.32Å; Y560-I579 HydrophobicContact CD2-CG2 4.28Å; Y560-I579 HydrophobicContact CE1-CG1 4.34Å; Y560-I579 HydrophobicContact CE2-CG1 4.25Å; Y560-I579 HydrophobicContact CE2-CG2 3.8Å; Y560-I579 HydrophobicContact CG-CD1 4.33Å; Y560-I579 HydrophobicContact CG-CG1 4.42Å; Y560-N583 PolarHBondContact OH-ND2 2.94Å; Y560-F642 AromaticContact CD1-CD2 3.46Å; Y560-F642 HydrophobicContact CD1-CD2 3.46Å; Y560-F642 VanDerWaalsContact CD1-CD2 3.46Å; Y560-F642 AromaticContact CD1-CE2 3.45Å; Y560-F642 HydrophobicContact CD1-CE2 3.45Å; Y560-F642 VanDerWaalsContact CD1-CE2 3.45Å; Y560-F642 HydrophobicContact CD1-CG 4.1Å; Y560-F642 HydrophobicContact CD1-CZ 4.09Å; Y560-F642 AromaticContact CE1-CD2 3.79Å; Y560-F642 HydrophobicContact CE1-CD2 3.79Å; Y560-F642 HydrophobicContact CE1-CE2 4.11Å; Y560-F642 HydrophobicContact CG-CD2 4.43Å; Y560-F642 AromaticContact CG-CE2 3.99Å; Y560-F642 HydrophobicContact CG-CE2 3.99Å; Y560-F642 HydrophobicContact CG-CZ 4.41Å; Y560-Y646 VanDerWaalsContact CE1-O 3.22Å; Y560-Y646 WeakPolarHBondContact CE1-O 3.3Å; Y560-G650 VanDerWaalsContact OH-C 3.32Å; Y560-G650 WeakPolarHBondContact OH-CA 3.47Å; Y560-A651 PolarHBondContact OH-N 2.86Å
561	K	83.4	Confident	82	Confident	51 Å²	51	54.6 Å²	54.6	22%	0.222	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-19	177.3	-83.2	-172.8	172.7	-167.2	0	114.4	R557 H563 S566 F567 S570 D571	R557-K561 HydrophobicContact CG-CD 4.19Å; R557-K561 HydrophobicContact CG-CG 4.25Å; R557-K561 WeakPolarHBondContact O-CB 3.34Å; R557-K561 WeakPolarHBondContact O-CG 3.49Å; R557-K561 PolarHBondContact O-N 3.43Å; K561-H563 PolarHBondContact O-N 2.96Å; K561-S566 VanDerWaalsContact CA-OG 3.32Å; K561-S566 WeakPolarHBondContact CA-OG 3.48Å; K561-S566 PolarHBondContact O-OG 3.45Å; K561-F567 HydrophobicContact CB-CD2 4.45Å; K561-F567 HydrophobicContact CD-CD2 3.78Å; K561-F567 HydrophobicContact CD-CE2 3.79Å; K561-F567 HydrophobicContact CG-CD2 4.09Å; K561-S570 WeakPolarHBondContact CE-OG 3.34Å; K561-S570 WeakPolarHBondContact CG-OG 3.47Å; K561-D571 WeakPolarHBondContact CE-OD1 3.41Å; K561-D571 VanDerWaalsContact NZ-CG 3.34Å; K561-D571 IonicContact NZ-OD1 2.61Å; K561-D571 PolarHBondContact NZ-OD1 2.88Å; K561-D571 IonicContact NZ-OD2 2.67Å; K561-D571 PolarHBondContact NZ-OD2 3.45Å
562	R	81.1	Confident	82	Confident	147 Å²	147	50.8 Å²	50.8	56%	0.555	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.8	178.5	-63.4	-178.5	-67.9	161.3	-4.8	113.4	H559 Y560	H559-R562 PolarHBondContact O-NE 3.47Å; H559-R562 VanDerWaalsContact O-NE 3.13Å; Y560-R562 PolarHBondContact O-N 3.2Å
563	H	80.7	Confident	82.2	Confident	38 Å²	38	52.9 Å²	52.9	18%	0.176	26%	0.257	C	S	.	.	S	Bend	trans	-89.5	146.9	-178.8	-60.6	-43.3	0	0	0	111.8	Y560 K561 D565 S566 Y646	Y560-H563 PolarHBondContact O-CD2 2.91Å; Y560-H563 PolarHBondContact O-N 3.14Å; K561-H563 PolarHBondContact O-N 2.96Å; H563-D565 PolarHBondContact O-N 3.47Å; H563-S566 VanDerWaalsContact O-CB 3.23Å; H563-S566 WeakPolarHBondContact O-CB 3.48Å; H563-S566 PolarHBondContact O-N 2.65Å; H563-S566 PolarHBondContact O-OG 3.38Å; H563-Y646 HydrophobicContact CB-CD1 3.93Å; H563-Y646 HydrophobicContact CB-CD2 3.94Å; H563-Y646 HydrophobicContact CB-CE1 3.75Å; H563-Y646 HydrophobicContact CB-CE2 3.78Å; H563-Y646 HydrophobicContact CB-CG 4.05Å; H563-Y646 AromaticContact CD2-CD1 3.51Å; H563-Y646 AromaticContact CD2-CG 3.74Å; H563-Y646 AromaticContact CG-CD1 3.44Å; H563-Y646 VanDerWaalsContact CG-CD1 3.44Å; H563-Y646 AromaticContact CG-CE1 3.54Å; H563-Y646 AromaticContact CG-CG 3.87Å; H563-Y646 AromaticContact ND1-CD1 3.78Å; H563-Y646 AromaticContact ND1-CE1 3.65Å; H563-Y646 AromaticContact NE2-CD1 3.88Å
564	P	74.7	Confident	82.2	Confident	83 Å²	83	53.8 Å²	53.8	54%	0.539	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	141	172.9	-27.9	33.3	0	0	0	112.8	S566 Y646	P564-S566 PolarHBondContact O-N 3.41Å; P564-Y646 WeakPolarHBondContact CD-OH 3.41Å
565	D	67.9	Low	82.4	Confident	95 Å²	95	51 Å²	51	51%	0.508	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	10.8	176.5	-54.8	-42.5	0	0	0	116.1	H563 K636	H563-D565 PolarHBondContact O-N 3.47Å; D565-K636 HydrophobicContact CB-CD 4.25Å; D565-K636 WeakPolarHBondContact O-CE 3.32Å
566	S	75.2	Confident	82.7	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.021	25%	0.245	C	C	.	.			trans	-91.8	-20.5	-172.6	69.3	0	0	0	0	115.1	Y560 K561 H563 P564 K569 S570	Y560-S566 WeakPolarHBondContact O-CB 3.43Å; Y560-S566 PolarHBondContact O-OG 2.9Å; K561-S566 VanDerWaalsContact CA-OG 3.32Å; K561-S566 WeakPolarHBondContact CA-OG 3.48Å; K561-S566 PolarHBondContact O-OG 3.45Å; H563-S566 VanDerWaalsContact O-CB 3.23Å; H563-S566 WeakPolarHBondContact O-CB 3.48Å; H563-S566 PolarHBondContact O-N 2.65Å; H563-S566 PolarHBondContact O-OG 3.38Å; P564-S566 PolarHBondContact O-N 3.41Å; S566-K569 PolarHBondContact O-N 2.93Å; S566-S570 VanDerWaalsContact O-CB 3.27Å; S566-S570 WeakPolarHBondContact O-CB 3.42Å; S566-S570 PolarHBondContact O-N 3.11Å; S566-S570 PolarHBondContact O-OG 2.89Å
567	F	76	Confident	82.9	Confident	128 Å²	128	50.6 Å²	50.6	56%	0.561	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-64.3	-164.5	-172.4	-92	0	0	0	113	K561 K569 S570	K561-F567 HydrophobicContact CB-CD2 4.45Å; K561-F567 HydrophobicContact CD-CD2 3.78Å; K561-F567 HydrophobicContact CD-CE2 3.79Å; K561-F567 HydrophobicContact CG-CD2 4.09Å; F567-K569 PolarHBondContact O-N 3.1Å; F567-S570 PolarHBondContact O-N 2.96Å; F567-S570 PolarHBondContact O-OG 3.27Å
568	E	80.1	Confident	83.4	Confident	115 Å²	115	49.4 Å²	49.4	54%	0.537	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.1	178.4	-64.8	167.8	159.5	0	0	112.1	D571 K636	E568-D571 PolarHBondContact O-N 2.7Å; E568-K636 WeakPolarHBondContact OE2-CE 3.23Å; E568-K636 IonicContact OE2-NZ 3.52Å; E568-K636 PolarHBondContact OE2-NZ 3.48Å
569	K	84.2	Confident	84	Confident	5 Å²	5	46.8 Å²	46.8	2%	0.022	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-64.6	-42.8	-179.3	-171.7	171.1	-175.4	163.1	0	110.9	S566 F567 D571 R572 T575 H635 V639 D640 H641 F642	S566-K569 PolarHBondContact O-N 2.93Å; F567-K569 PolarHBondContact O-N 3.1Å; K569-D571 PolarHBondContact O-N 2.77Å; K569-D571 VanDerWaalsContact O-N 3.13Å; K569-R572 WeakPolarHBondContact O-CB 3.47Å; K569-R572 PolarHBondContact O-N 3.37Å; K569-R572 VanDerWaalsContact O-N 3.1Å; K569-T575 HydrophobicContact CG-CG2 4.08Å; K569-T575 WeakPolarHBondContact O-CB 3.28Å; K569-T575 WeakPolarHBondContact O-CG2 3.43Å; K569-T575 PolarHBondContact O-OG1 3.36Å; K569-H635 PolarHBondContact NZ-ND1 2.98Å; K569-H635 PolarHBondContact NZ-O 3.27Å; K569-V639 WeakPolarHBondContact CE-O 3.46Å; K569-V639 PolarHBondContact NZ-O 3.35Å; K569-D640 VanDerWaalsContact CE-O 3.24Å; K569-D640 WeakPolarHBondContact CE-O 3.44Å; K569-H641 VanDerWaalsContact CE-O 3.3Å; K569-H641 WeakPolarHBondContact CE-O 3.34Å; K569-H641 PolarHBondContact NZ-O 3.36Å; K569-F642 HydrophobicContact CB-CE1 4.42Å; K569-F642 HydrophobicContact CD-CD1 4.32Å; K569-F642 HydrophobicContact CD-CE1 4.25Å; K569-F642 HydrophobicContact CG-CE1 4.34Å
570	S	83.3	Confident	84.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-65.7	-14.3	-178.3	74.7	0	0	0	0	114.8	R557 K561 S566 F567	R557-S570 WeakPolarHBondContact CD-O 3.31Å; K561-S570 WeakPolarHBondContact CE-OG 3.34Å; K561-S570 WeakPolarHBondContact CG-OG 3.47Å; S566-S570 VanDerWaalsContact O-CB 3.27Å; S566-S570 WeakPolarHBondContact O-CB 3.42Å; S566-S570 PolarHBondContact O-N 3.11Å; S566-S570 PolarHBondContact O-OG 2.89Å; F567-S570 PolarHBondContact O-N 2.96Å; F567-S570 PolarHBondContact O-OG 3.27Å
571	D	83.5	Confident	84.8	Confident	61 Å²	61	46.1 Å²	46.1	33%	0.326	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-89.5	-11.9	176.8	-70.8	-37.1	0	0	0	112.9	R557 K561 E568 K569	R557-D571 VanDerWaalsContact CD-OD1 3.25Å; R557-D571 WeakPolarHBondContact CD-OD1 3.38Å; R557-D571 IonicContact CZ-OD1 2.96Å; R557-D571 IonicContact NE-OD1 3.41Å; R557-D571 IonicContact NH1-OD1 3.54Å; R557-D571 PolarHBondContact NH1-OD1 3.38Å; K561-D571 WeakPolarHBondContact CE-OD1 3.41Å; K561-D571 VanDerWaalsContact NZ-CG 3.34Å; K561-D571 IonicContact NZ-OD1 2.61Å; K561-D571 PolarHBondContact NZ-OD1 2.88Å; K561-D571 IonicContact NZ-OD2 2.67Å; K561-D571 PolarHBondContact NZ-OD2 3.45Å; E568-D571 PolarHBondContact O-N 2.7Å; K569-D571 PolarHBondContact O-N 2.77Å; K569-D571 VanDerWaalsContact O-N 3.13Å
572	R	86.9	Confident	85.4	Confident	81 Å²	81	43.8 Å²	43.8	31%	0.306	21%	0.212	S	C	.	.	S	Bend	trans	-73.4	138.4	179	-59.7	178.9	-176.1	-166.2	-1.3	111.4	K569 G574 T575 R576 K636 N637	K569-R572 WeakPolarHBondContact O-CB 3.47Å; K569-R572 PolarHBondContact O-N 3.37Å; K569-R572 VanDerWaalsContact O-N 3.1Å; R572-G574 PolarHBondContact O-N 2.82Å; R572-T575 PolarHBondContact O-N 3.48Å; R572-R576 WeakPolarHBondContact O-CG 3.39Å; R572-R576 PolarHBondContact O-N 3.24Å; R572-K636 PolarHBondContact NH1-O 3.3Å; R572-N637 PolarHBondContact NH1-O 3.27Å
573	I	86.6	Confident	86.1	Confident	81 Å²	81	37.2 Å²	37.2	42%	0.415	19%	0.188	S	C	.	.	H	α-helix	trans	-58.6	-45.9	179.9	-64	175.4	0	0	0	111.2	I525 I526 T575 R576 N577	I525-I573 HydrophobicContact CG2-CG2 4.34Å; I526-I573 HydrophobicContact CD1-CG2 4.08Å; I526-I573 HydrophobicContact CG1-CG2 4.17Å; I573-T575 PolarHBondContact O-N 3.04Å; I573-R576 WeakPolarHBondContact O-CB 3.38Å; I573-R576 PolarHBondContact O-N 3Å; I573-R576 VanDerWaalsContact O-N 3.09Å; I573-N577 PolarHBondContact O-N 3.12Å
574	G	88.3	Confident	86.7	Confident	20 Å²	20	35.4 Å²	35.4	21%	0.206	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-52.5	176.4	0	0	0	0	0	112	R572 R576 N577 E578	R572-G574 PolarHBondContact O-N 2.82Å; G574-R576 VanDerWaalsContact C-N 3.27Å; G574-R576 PolarHBondContact O-N 3.38Å; G574-N577 WeakPolarHBondContact O-CB 3.26Å; G574-N577 PolarHBondContact O-N 3.4Å; G574-N577 VanDerWaalsContact O-N 3.11Å; G574-E578 WeakPolarHBondContact O-CG 3.34Å; G574-E578 PolarHBondContact O-N 2.97Å; G574-E578 VanDerWaalsContact O-N 3.08Å
575	T	91	Very high	87.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-35.6	175.9	-57.5	0	0	0	0	113.4	K569 R572 I573 E578 I579 D640 F642	K569-T575 HydrophobicContact CG-CG2 4.08Å; K569-T575 WeakPolarHBondContact O-CB 3.28Å; K569-T575 WeakPolarHBondContact O-CG2 3.43Å; K569-T575 PolarHBondContact O-OG1 3.36Å; R572-T575 PolarHBondContact O-N 3.48Å; I573-T575 PolarHBondContact O-N 3.04Å; T575-E578 PolarHBondContact O-N 3Å; T575-I579 HydrophobicContact CG2-CD1 4.37Å; T575-I579 VanDerWaalsContact O-CG1 3.32Å; T575-I579 WeakPolarHBondContact O-CG1 3.07Å; T575-I579 PolarHBondContact O-N 3.47Å; T575-D640 WeakPolarHBondContact CA-O 3.07Å; T575-D640 VanDerWaalsContact CB-O 3.29Å; T575-D640 WeakPolarHBondContact CB-O 3.29Å; T575-D640 WeakPolarHBondContact CG2-O 3.42Å; T575-D640 PolarHBondContact OG1-O 3.13Å; T575-F642 HydrophobicContact CG2-CD2 4.12Å; T575-F642 HydrophobicContact CG2-CE1 4.45Å; T575-F642 HydrophobicContact CG2-CE2 3.39Å; T575-F642 HydrophobicContact CG2-CZ 3.59Å
576	R	91.2	Very high	89.2	Confident	16 Å²	16	27 Å²	27	6%	0.06	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-37.3	177.5	-69.3	171.5	71.8	155.9	15.2	112.3	I525 M550 T553 D554 R572 I573 G574 I579 L580	I525-R576 HydrophobicContact CD1-CB 3.65Å; M550-R576 VanDerWaalsContact C-NH2 3.3Å; M550-R576 PolarHBondContact O-NH2 2.84Å; T553-R576 HydrophobicContact CG2-CB 4.32Å; T553-R576 PolarHBondContact OG1-NE 3.32Å; T553-R576 PolarHBondContact OG1-NH2 2.76Å; D554-R576 IonicContact OD1-CZ 3.38Å; D554-R576 IonicContact OD1-NH1 3.09Å; D554-R576 IonicContact OD1-NH2 3.95Å; D554-R576 PolarHBondContact OD1-NH2 3.18Å; R572-R576 WeakPolarHBondContact O-CG 3.39Å; R572-R576 PolarHBondContact O-N 3.24Å; I573-R576 WeakPolarHBondContact O-CB 3.38Å; I573-R576 PolarHBondContact O-N 3Å; I573-R576 VanDerWaalsContact O-N 3.09Å; G574-R576 VanDerWaalsContact C-N 3.27Å; G574-R576 PolarHBondContact O-N 3.38Å; R576-I579 PolarHBondContact O-N 3.38Å; R576-L580 PolarHBondContact O-N 2.96Å
577	N	92.3	Very high	90.2	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.048	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-44.2	172.5	-80.9	-7.4	0	0	0	111.3	D524 I525 I526 I573 G574 I579 L580 A581	D524-N577 HydrophobicContact CB-CB 4.34Å; D524-N577 WeakPolarHBondContact CB-OD1 3.13Å; D524-N577 VanDerWaalsContact CG-ND2 3.31Å; D524-N577 PolarHBondContact OD1-ND2 3.42Å; D524-N577 WeakPolarHBondContact OD2-CB 3.31Å; D524-N577 PolarHBondContact OD2-ND2 3.32Å; D524-N577 VanDerWaalsContact OD2-ND2 3.11Å; I525-N577 WeakPolarHBondContact CB-OD1 3.32Å; I525-N577 VanDerWaalsContact CG1-OD1 3.3Å; I525-N577 WeakPolarHBondContact CG1-OD1 3.24Å; I525-N577 PolarHBondContact N-OD1 3.2Å; I526-N577 WeakPolarHBondContact CD1-ND2 3.48Å; I526-N577 WeakPolarHBondContact CG1-ND2 3.37Å; I573-N577 PolarHBondContact O-N 3.12Å; G574-N577 WeakPolarHBondContact O-CB 3.26Å; G574-N577 PolarHBondContact O-N 3.4Å; G574-N577 VanDerWaalsContact O-N 3.11Å; N577-I579 PolarHBondContact O-N 3.39Å; N577-L580 WeakPolarHBondContact O-CB 3.26Å; N577-L580 PolarHBondContact O-N 2.99Å; N577-L580 VanDerWaalsContact O-N 3.14Å; N577-A581 WeakPolarHBondContact O-CB 3.42Å; N577-A581 PolarHBondContact O-N 3.1Å
578	E	94.5	Very high	91.1	Very high	33 Å²	33	22 Å²	22	15%	0.154	11%	0.108	C	C	.	.	H	α-helix	trans	-60.5	-42.2	175.4	-63.6	-62.3	136.1	0	0	112.6	H517 H521 G574 T575 L580 A581 D582 D640 H641	H517-E578 IonicContact CE1-OE2 3.42Å; H517-E578 IonicContact NE2-OE2 2.95Å; H521-E578 IonicContact CE1-OE1 2.8Å; H521-E578 PolarHBondContact CE1-OE1 3.38Å; H521-E578 IonicContact NE2-OE1 3.9Å; G574-E578 WeakPolarHBondContact O-CG 3.34Å; G574-E578 PolarHBondContact O-N 2.97Å; G574-E578 VanDerWaalsContact O-N 3.08Å; T575-E578 PolarHBondContact O-N 3Å; E578-L580 VanDerWaalsContact C-N 3.34Å; E578-L580 PolarHBondContact O-N 3.42Å; E578-A581 PolarHBondContact O-N 3.24Å; E578-D582 WeakPolarHBondContact O-CB 3.46Å; E578-D582 VanDerWaalsContact O-CG 3.29Å; E578-D582 PolarHBondContact O-N 2.93Å; E578-D640 HydrophobicContact CG-CB 4.07Å; E578-H641 HydrophobicContact CB-CB 4.06Å; E578-H641 HydrophobicContact CG-CB 3.9Å
579	I	93	Very high	92	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-47.1	174.2	-68.9	165	0	0	0	110.2	L556 Y560 T575 R576 N577 A581 N583 F642	L556-I579 HydrophobicContact CB-CG2 3.56Å; L556-I579 HydrophobicContact CD1-CG2 3.68Å; L556-I579 HydrophobicContact CG-CG2 4.2Å; Y560-I579 HydrophobicContact CD1-CG1 4.43Å; Y560-I579 HydrophobicContact CD2-CD1 4.32Å; Y560-I579 HydrophobicContact CD2-CG1 4.32Å; Y560-I579 HydrophobicContact CD2-CG2 4.28Å; Y560-I579 HydrophobicContact CE1-CG1 4.34Å; Y560-I579 HydrophobicContact CE2-CG1 4.25Å; Y560-I579 HydrophobicContact CE2-CG2 3.8Å; Y560-I579 HydrophobicContact CG-CD1 4.33Å; Y560-I579 HydrophobicContact CG-CG1 4.42Å; T575-I579 HydrophobicContact CG2-CD1 4.37Å; T575-I579 VanDerWaalsContact O-CG1 3.32Å; T575-I579 WeakPolarHBondContact O-CG1 3.07Å; T575-I579 PolarHBondContact O-N 3.47Å; R576-I579 PolarHBondContact O-N 3.38Å; N577-I579 PolarHBondContact O-N 3.39Å; I579-A581 VanDerWaalsContact C-N 3.34Å; I579-N583 WeakPolarHBondContact O-CB 3.46Å; I579-N583 PolarHBondContact O-N 2.8Å; I579-N583 VanDerWaalsContact O-N 3.11Å; I579-N583 PolarHBondContact O-ND2 2.93Å; I579-F642 HydrophobicContact CD1-CE2 3.79Å; I579-F642 HydrophobicContact CD1-CZ 4.48Å; I579-F642 HydrophobicContact CG1-CD2 4.32Å; I579-F642 HydrophobicContact CG1-CE2 3.75Å
580	L	92.7	Very high	92.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-44.1	-179.7	-170.8	78.1	0	0	0	110.8	D524 T553 R576 N577 E578 G584 L678	D524-L580 HydrophobicContact CB-CD2 3.64Å; T553-L580 HydrophobicContact CG2-CB 3.99Å; T553-L580 HydrophobicContact CG2-CD1 4.04Å; R576-L580 PolarHBondContact O-N 2.96Å; N577-L580 WeakPolarHBondContact O-CB 3.26Å; N577-L580 PolarHBondContact O-N 2.99Å; N577-L580 VanDerWaalsContact O-N 3.14Å; E578-L580 VanDerWaalsContact C-N 3.34Å; E578-L580 PolarHBondContact O-N 3.42Å; L580-G584 WeakPolarHBondContact O-CA 3.45Å; L580-G584 PolarHBondContact O-N 3.5Å; L580-L678 HydrophobicContact CD1-CD1 3.66Å; L580-L678 HydrophobicContact CD1-CD2 3.56Å; L580-L678 HydrophobicContact CD1-CG 4.22Å; L580-L678 HydrophobicContact CG-CD1 4.43Å
581	A	95.1	Very high	93.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68	-41.3	179.8	0	0	0	0	0	112.7	H517 M520 N577 E578 I579 G585	H517-A581 VanDerWaalsContact CE1-CB 3.43Å; H517-A581 WeakPolarHBondContact CE1-CB 2.99Å; H517-A581 VanDerWaalsContact ND1-C 3.33Å; M520-A581 HydrophobicContact CB-CB 3.95Å; N577-A581 WeakPolarHBondContact O-CB 3.42Å; N577-A581 PolarHBondContact O-N 3.1Å; E578-A581 PolarHBondContact O-N 3.24Å; I579-A581 VanDerWaalsContact C-N 3.34Å; A581-G585 WeakPolarHBondContact O-CA 3.34Å; A581-G585 PolarHBondContact O-N 3.37Å
582	D	95.9	Very high	93.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.011	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-50.2	175.4	-79.5	-10.3	0	0	0	112	W513 H517 E578 L586 R647	W513-D582 WeakPolarHBondContact CZ2-OD1 3.48Å; W513-D582 PolarHBondContact NE1-O 2.81Å; H517-D582 IonicContact CE1-OD1 2.69Å; H517-D582 PolarHBondContact CE1-OD1 3.43Å; H517-D582 PolarHBondContact ND1-N 2.99Å; H517-D582 IonicContact ND1-OD1 2.68Å; H517-D582 PolarHBondContact ND1-OD1 2.81Å; H517-D582 VanDerWaalsContact ND1-OD1 3.09Å; E578-D582 WeakPolarHBondContact O-CB 3.46Å; E578-D582 VanDerWaalsContact O-CG 3.29Å; E578-D582 PolarHBondContact O-N 2.93Å; D582-L586 VanDerWaalsContact O-CB 3.29Å; D582-L586 WeakPolarHBondContact O-CB 3.1Å; D582-L586 PolarHBondContact O-N 2.79Å; D582-L586 VanDerWaalsContact O-N 3.16Å; D582-R647 IonicContact OD1-CZ 2.98Å; D582-R647 IonicContact OD1-NE 3.1Å; D582-R647 PolarHBondContact OD1-NE 2.87Å; D582-R647 IonicContact OD1-NH2 2.82Å; D582-R647 PolarHBondContact OD1-NH2 3.34Å; D582-R647 WeakPolarHBondContact OD2-CB 3.5Å; D582-R647 WeakPolarHBondContact OD2-CG 3.47Å; D582-R647 IonicContact OD2-CZ 3.76Å; D582-R647 IonicContact OD2-NE 2.75Å; D582-R647 PolarHBondContact OD2-NE 3.32Å; D582-R647 IonicContact OD2-NH2 3.71Å
583	N	94.8	Very high	94.4	Very high	10 Å²	10	12.7 Å²	12.7	5%	0.053	7%	0.067	C	C	.	.	H	α-helix	trans	-74.5	-42.9	-176.1	-74.4	-104.5	0	0	0	111.2	L556 Y560 I579 K587 A651 L678	L556-N583 HydrophobicContact CD1-CB 4.12Å; L556-N583 WeakPolarHBondContact CD2-OD1 3.41Å; Y560-N583 PolarHBondContact OH-ND2 2.94Å; I579-N583 WeakPolarHBondContact O-CB 3.46Å; I579-N583 PolarHBondContact O-N 2.8Å; I579-N583 VanDerWaalsContact O-N 3.11Å; I579-N583 PolarHBondContact O-ND2 2.93Å; N583-K587 PolarHBondContact O-N 2.64Å; N583-K587 VanDerWaalsContact O-N 3.14Å; N583-A651 WeakPolarHBondContact OD1-CA 3.22Å; N583-L678 HydrophobicContact CB-CD1 3.51Å
584	G	94	Very high	94.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-67.4	-48.2	177.7	0	0	0	0	0	112.4	L580 L586 K587 I588 W679	L580-G584 WeakPolarHBondContact O-CA 3.45Å; L580-G584 PolarHBondContact O-N 3.5Å; G584-L586 VanDerWaalsContact C-N 3.28Å; G584-L586 PolarHBondContact O-N 2.72Å; G584-K587 PolarHBondContact O-N 2.65Å; G584-K587 VanDerWaalsContact O-N 3.14Å; G584-I588 WeakPolarHBondContact O-CB 3.06Å; G584-I588 VanDerWaalsContact O-CG1 3.27Å; G584-I588 WeakPolarHBondContact O-CG1 3.42Å; G584-I588 PolarHBondContact O-N 3.37Å; G584-W679 VanDerWaalsContact CA-CD1 3.41Å
585	G	96.7	Very high	95	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-58.9	-39.7	177.2	0	0	0	0	0	112.3	W513 A516 A581 M589	W513-G585 VanDerWaalsContact CD1-C 3.49Å; A516-G585 WeakPolarHBondContact CB-O 3.45Å; A581-G585 WeakPolarHBondContact O-CA 3.34Å; A581-G585 PolarHBondContact O-N 3.37Å; G585-M589 VanDerWaalsContact O-CB 3.26Å; G585-M589 WeakPolarHBondContact O-CB 2.98Å; G585-M589 PolarHBondContact O-N 2.61Å
586	L	97.6	Very high	95.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.7	-49.4	174.5	176.3	63	0	0	0	111.8	D582 G584 M589 Y590 F615 F616 F619 A651 L652 T655	D582-L586 VanDerWaalsContact O-CB 3.29Å; D582-L586 WeakPolarHBondContact O-CB 3.1Å; D582-L586 PolarHBondContact O-N 2.79Å; D582-L586 VanDerWaalsContact O-N 3.16Å; G584-L586 VanDerWaalsContact C-N 3.28Å; G584-L586 PolarHBondContact O-N 2.72Å; L586-M589 PolarHBondContact O-N 2.65Å; L586-Y590 VanDerWaalsContact O-CB 3.32Å; L586-Y590 WeakPolarHBondContact O-CB 3.46Å; L586-Y590 PolarHBondContact O-N 3.08Å; L586-F615 HydrophobicContact CD1-CE1 3.71Å; L586-F615 HydrophobicContact CD1-CZ 4.12Å; L586-F616 HydrophobicContact CD1-CD1 4.44Å; L586-F616 HydrophobicContact CD1-CE1 4.47Å; L586-F619 HydrophobicContact CB-CE2 4.44Å; L586-F619 HydrophobicContact CD1-CB 4.26Å; L586-F619 HydrophobicContact CD1-CD1 3.8Å; L586-F619 HydrophobicContact CD1-CD2 3.74Å; L586-F619 HydrophobicContact CD1-CE1 4.09Å; L586-F619 HydrophobicContact CD1-CE2 4.03Å; L586-F619 HydrophobicContact CD1-CG 3.62Å; L586-F619 HydrophobicContact CD1-CZ 4.18Å; L586-F619 HydrophobicContact CD2-CD1 4.46Å; L586-F619 HydrophobicContact CD2-CE1 4.05Å; L586-F619 HydrophobicContact CD2-CZ 4.17Å; L586-A651 HydrophobicContact CD2-CB 3.69Å; L586-L652 HydrophobicContact CD2-CD2 3.84Å; L586-L652 HydrophobicContact CD2-CG 4.36Å; L586-T655 WeakPolarHBondContact CD2-OG1 3.26Å
587	K	95.9	Very high	95.2	Very high	27 Å²	27	11.6 Å²	11.6	12%	0.117	5%	0.054	C	C	.	.	H	α-helix	trans	-63.4	-46.1	-178.2	-176.4	53	170	171.3	0	111.9	N583 G584 Y590 N591 E657 W679	N583-K587 PolarHBondContact O-N 2.64Å; N583-K587 VanDerWaalsContact O-N 3.14Å; G584-K587 PolarHBondContact O-N 2.65Å; G584-K587 VanDerWaalsContact O-N 3.14Å; K587-Y590 PolarHBondContact O-N 3.16Å; K587-N591 VanDerWaalsContact O-CG 3.3Å; K587-N591 PolarHBondContact O-N 3.36Å; K587-N591 VanDerWaalsContact O-N 3.1Å; K587-E657 IonicContact NZ-OE1 2.68Å; K587-E657 PolarHBondContact NZ-OE1 3.13Å; K587-E657 IonicContact NZ-OE2 2.83Å; K587-E657 PolarHBondContact NZ-OE2 2.92Å; K587-E657 VanDerWaalsContact NZ-OE2 3.1Å; K587-W679 HydrophobicContact CG-CB 4Å
588	I	96.5	Very high	95.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-52.9	177.2	-67.8	-57.4	0	0	0	110.4	V406 T409 I410 S413 A516 M520 G584 Y590 N591 T592	V406-I588 HydrophobicContact CG1-CG2 3.87Å; T409-I588 HydrophobicContact CG2-CG2 4.28Å; I410-I588 HydrophobicContact CB-CD1 4.49Å; I410-I588 HydrophobicContact CD1-CG2 4.21Å; I410-I588 HydrophobicContact CG1-CB 4.34Å; I410-I588 HydrophobicContact CG1-CD1 3.98Å; I410-I588 HydrophobicContact CG1-CG1 3.94Å; I410-I588 HydrophobicContact CG1-CG2 3.51Å; S413-I588 VanDerWaalsContact OG-CD1 3.28Å; S413-I588 WeakPolarHBondContact OG-CD1 3.47Å; A516-I588 HydrophobicContact CB-CB 4.28Å; A516-I588 HydrophobicContact CB-CG2 4.03Å; M520-I588 HydrophobicContact CE-CG1 3.97Å; M520-I588 HydrophobicContact SD-CG1 4.33Å; G584-I588 WeakPolarHBondContact O-CB 3.06Å; G584-I588 VanDerWaalsContact O-CG1 3.27Å; G584-I588 WeakPolarHBondContact O-CG1 3.42Å; G584-I588 PolarHBondContact O-N 3.37Å; I588-Y590 VanDerWaalsContact C-N 3.29Å; I588-Y590 PolarHBondContact O-N 2.84Å; I588-N591 PolarHBondContact O-N 3.22Å; I588-N591 VanDerWaalsContact O-N 3.14Å; I588-T592 PolarHBondContact O-N 2.77Å; I588-T592 PolarHBondContact O-OG1 3.14Å
589	M	97.6	Very high	94.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-33.6	-177	-172.3	60.2	-145.7	0	0	112.4	L402 V406 Y508 G512 W513 A516 G585 L586 T592 Y593 F615	L402-M589 HydrophobicContact CD1-CE 4.03Å; L402-M589 HydrophobicContact CD1-SD 4.33Å; V406-M589 HydrophobicContact CG2-SD 3.85Å; Y508-M589 HydrophobicContact CD2-CE 4.08Å; Y508-M589 HydrophobicContact CE2-CE 4.16Å; G512-M589 WeakPolarHBondContact CA-SD 3.25Å; W513-M589 HydrophobicContact CB-CB 4.41Å; W513-M589 HydrophobicContact CB-CG 4.36Å; A516-M589 HydrophobicContact CB-CB 4.09Å; G585-M589 VanDerWaalsContact O-CB 3.26Å; G585-M589 WeakPolarHBondContact O-CB 2.98Å; G585-M589 PolarHBondContact O-N 2.61Å; L586-M589 PolarHBondContact O-N 2.65Å; M589-T592 HydrophobicContact CE-CG2 4.48Å; M589-T592 PolarHBondContact O-N 2.84Å; M589-Y593 VanDerWaalsContact O-CB 3.28Å; M589-Y593 WeakPolarHBondContact O-CB 2.9Å; M589-Y593 PolarHBondContact O-N 3.11Å; M589-F615 HydrophobicContact CB-CZ 4.38Å; M589-F615 HydrophobicContact CG-CE2 4.06Å; M589-F615 HydrophobicContact CG-CZ 4.35Å
590	Y	97.6	Very high	94.3	Very high	18 Å²	18	26 Å²	26	7%	0.071	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-48	172.8	174.5	-102	0	0	0	111.6	L586 K587 I588 T592 Y593 R594 D612 F615 F616 E657	L586-Y590 VanDerWaalsContact O-CB 3.32Å; L586-Y590 WeakPolarHBondContact O-CB 3.46Å; L586-Y590 PolarHBondContact O-N 3.08Å; K587-Y590 PolarHBondContact O-N 3.16Å; I588-Y590 VanDerWaalsContact C-N 3.29Å; I588-Y590 PolarHBondContact O-N 2.84Å; Y590-T592 VanDerWaalsContact C-N 3.34Å; Y590-T592 PolarHBondContact O-N 3.32Å; Y590-Y593 WeakPolarHBondContact O-CB 3.49Å; Y590-Y593 PolarHBondContact O-N 2.96Å; Y590-R594 HydrophobicContact CD1-CG 4.43Å; Y590-R594 HydrophobicContact CD2-CG 4.48Å; Y590-R594 HydrophobicContact CE1-CG 3.93Å; Y590-R594 HydrophobicContact CE2-CG 4Å; Y590-R594 WeakPolarHBondContact O-CG 3.48Å; Y590-R594 PolarHBondContact O-N 3.21Å; Y590-D612 HydrophobicContact CE2-CB 4.33Å; Y590-D612 PolarHBondContact OH-OD2 2.87Å; Y590-F615 AromaticContact CD2-CD1 3.6Å; Y590-F615 HydrophobicContact CD2-CD1 3.6Å; Y590-F615 AromaticContact CD2-CE1 3.73Å; Y590-F615 HydrophobicContact CD2-CE1 3.73Å; Y590-F615 HydrophobicContact CD2-CG 4.11Å; Y590-F615 HydrophobicContact CD2-CZ 4.33Å; Y590-F615 HydrophobicContact CE2-CD1 4.46Å; Y590-F615 HydrophobicContact CG-CD1 4.45Å; Y590-F615 HydrophobicContact CG-CE1 4.13Å; Y590-F615 VanDerWaalsContact N-CZ 3.35Å; Y590-F616 HydrophobicContact CD2-CE1 4.12Å; Y590-F616 HydrophobicContact CD2-CE2 4.39Å; Y590-F616 AromaticContact CD2-CZ 3.71Å; Y590-F616 HydrophobicContact CD2-CZ 3.71Å; Y590-F616 HydrophobicContact CE2-CE2 4.08Å; Y590-F616 AromaticContact CE2-CZ 3.73Å; Y590-F616 HydrophobicContact CE2-CZ 3.73Å; Y590-F616 HydrophobicContact CG-CZ 4.36Å; Y590-E657 HydrophobicContact CD1-CG 4.47Å; Y590-E657 HydrophobicContact CE1-CB 3.75Å; Y590-E657 HydrophobicContact CE1-CG 3.59Å; Y590-E657 HydrophobicContact CE2-CB 4.4Å
591	N	96.4	Very high	93.8	Very high	48 Å²	48	30.9 Å²	30.9	26%	0.257	14%	0.136	S	C	.	.	H	α-helix	trans	-62.1	-42.3	177.5	-69.5	-8.2	0	0	0	111.2	T409 K587 I588 R594 K595	T409-N591 HydrophobicContact CG2-CB 3.59Å; K587-N591 VanDerWaalsContact O-CG 3.3Å; K587-N591 PolarHBondContact O-N 3.36Å; K587-N591 VanDerWaalsContact O-N 3.1Å; I588-N591 PolarHBondContact O-N 3.22Å; I588-N591 VanDerWaalsContact O-N 3.14Å; N591-R594 PolarHBondContact O-N 2.95Å; N591-K595 WeakPolarHBondContact O-CB 3.36Å; N591-K595 PolarHBondContact O-N 2.61Å
592	T	97	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-46.5	174.4	-53.4	0	0	0	0	111.3	E405 V406 T409 I588 M589 Y590 R594 K595 L596	E405-T592 HydrophobicContact CB-CG2 3.83Å; V406-T592 HydrophobicContact CG2-CG2 4.15Å; T409-T592 VanDerWaalsContact CB-OG1 3.22Å; T409-T592 WeakPolarHBondContact CB-OG1 3.23Å; T409-T592 WeakPolarHBondContact CG2-OG1 3.47Å; T409-T592 PolarHBondContact OG1-OG1 2.61Å; I588-T592 PolarHBondContact O-N 2.77Å; I588-T592 PolarHBondContact O-OG1 3.14Å; M589-T592 HydrophobicContact CE-CG2 4.48Å; M589-T592 PolarHBondContact O-N 2.84Å; Y590-T592 VanDerWaalsContact C-N 3.34Å; Y590-T592 PolarHBondContact O-N 3.32Å; T592-R594 PolarHBondContact O-N 2.94Å; T592-K595 WeakPolarHBondContact O-CB 3.11Å; T592-K595 PolarHBondContact O-N 2.87Å; T592-L596 HydrophobicContact CG2-CD1 3.97Å; T592-L596 HydrophobicContact CG2-CG 4.48Å; T592-L596 VanDerWaalsContact O-CG 3.32Å; T592-L596 WeakPolarHBondContact O-CG 3.14Å; T592-L596 PolarHBondContact O-N 3.45Å
593	Y	96.9	Very high	92.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-47.5	177.6	175.3	-96.4	0	0	0	111.9	P505 I509 M589 Y590 L596 Q597 S611 F615	P505-Y593 HydrophobicContact CB-CD2 3.88Å; P505-Y593 HydrophobicContact CB-CE2 4.27Å; P505-Y593 HydrophobicContact CG-CD2 3.56Å; P505-Y593 HydrophobicContact CG-CE2 3.68Å; P505-Y593 HydrophobicContact CG-CG 4.39Å; I509-Y593 HydrophobicContact CD1-CD2 4.19Å; I509-Y593 HydrophobicContact CD1-CE2 3.73Å; I509-Y593 HydrophobicContact CG1-CD2 3.89Å; I509-Y593 HydrophobicContact CG1-CE2 3.92Å; M589-Y593 VanDerWaalsContact O-CB 3.28Å; M589-Y593 WeakPolarHBondContact O-CB 2.9Å; M589-Y593 PolarHBondContact O-N 3.11Å; Y590-Y593 WeakPolarHBondContact O-CB 3.49Å; Y590-Y593 PolarHBondContact O-N 2.96Å; Y593-L596 PolarHBondContact O-N 3.47Å; Y593-Q597 HydrophobicContact CD1-CG 4.26Å; Y593-Q597 HydrophobicContact CE1-CG 3.84Å; Y593-Q597 HydrophobicContact CE2-CG 4.2Å; Y593-Q597 WeakPolarHBondContact O-CB 3.49Å; Y593-Q597 WeakPolarHBondContact O-CG 3.29Å; Y593-Q597 PolarHBondContact O-N 2.83Å; Y593-Q597 PolarHBondContact OH-NE2 2.92Å; Y593-S611 WeakPolarHBondContact CE1-OG 2.87Å; Y593-S611 PolarHBondContact OH-OG 2.97Å; Y593-F615 HydrophobicContact CD1-CB 4.12Å; Y593-F615 AromaticContact CD1-CD2 3.82Å; Y593-F615 HydrophobicContact CD1-CD2 3.82Å; Y593-F615 HydrophobicContact CD1-CG 4.22Å; Y593-F615 HydrophobicContact CD2-CD2 4.01Å; Y593-F615 HydrophobicContact CE1-CB 3.98Å; Y593-F615 HydrophobicContact CE1-CD2 4.42Å; Y593-F615 AromaticContact CG-CD2 3.59Å; Y593-F615 HydrophobicContact CG-CD2 3.59Å; Y593-F615 HydrophobicContact CG-CE2 4.21Å; Y593-F615 HydrophobicContact CG-CG 4.43Å
594	R	95	Very high	92	Very high	26 Å²	26	42.2 Å²	42.2	10%	0.098	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-44.2	176.4	-71.3	-57.4	-44.8	168.7	13	112	Y590 N591 T592 L596 Q597 N598 D612	Y590-R594 HydrophobicContact CD1-CG 4.43Å; Y590-R594 HydrophobicContact CD2-CG 4.48Å; Y590-R594 HydrophobicContact CE1-CG 3.93Å; Y590-R594 HydrophobicContact CE2-CG 4Å; Y590-R594 WeakPolarHBondContact O-CG 3.48Å; Y590-R594 PolarHBondContact O-N 3.21Å; N591-R594 PolarHBondContact O-N 2.95Å; T592-R594 PolarHBondContact O-N 2.94Å; R594-L596 VanDerWaalsContact C-N 3.32Å; R594-L596 PolarHBondContact O-N 2.87Å; R594-Q597 PolarHBondContact O-N 3.34Å; R594-N598 PolarHBondContact NH2-OD1 3.3Å; R594-N598 WeakPolarHBondContact O-CB 3.23Å; R594-N598 PolarHBondContact O-N 2.93Å; R594-N598 PolarHBondContact O-ND2 3.36Å; R594-N598 PolarHBondContact O-OD1 3.36Å; R594-D612 WeakPolarHBondContact CD-OD1 3.41Å; R594-D612 IonicContact CZ-OD1 3.18Å; R594-D612 IonicContact NE-OD1 3.68Å; R594-D612 IonicContact NH1-OD1 2.64Å; R594-D612 PolarHBondContact NH1-OD1 2.95Å; R594-D612 IonicContact NH1-OD2 3.51Å
595	K	94.2	Very high	91.7	Very high	42 Å²	42	47.3 Å²	47.3	18%	0.183	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-44.4	177.2	-178.8	174	177.8	173.7	0	111.2	S408 E412 N591 T592 R599	S408-K595 PolarHBondContact OG-NZ 2.92Å; E412-K595 IonicContact OE1-NZ 3.09Å; E412-K595 PolarHBondContact OE1-NZ 3.08Å; E412-K595 IonicContact OE2-NZ 2.82Å; E412-K595 PolarHBondContact OE2-NZ 2.95Å; N591-K595 WeakPolarHBondContact O-CB 3.36Å; N591-K595 PolarHBondContact O-N 2.61Å; T592-K595 WeakPolarHBondContact O-CB 3.11Å; T592-K595 PolarHBondContact O-N 2.87Å; K595-R599 WeakPolarHBondContact O-CG 3.47Å; K595-R599 PolarHBondContact O-N 3.43Å
596	L	94.4	Very high	91.3	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-72.1	-41.2	179.5	-65.9	175	0	0	0	113	E405 P505 Y508 T592 Y593 R594 N598 R599 Q600	E405-L596 HydrophobicContact CB-CD1 4.45Å; E405-L596 HydrophobicContact CG-CD1 4.47Å; E405-L596 HydrophobicContact CG-CD2 4.04Å; P505-L596 HydrophobicContact CB-CB 4.02Å; P505-L596 HydrophobicContact CB-CD1 4.11Å; P505-L596 HydrophobicContact CG-CB 3.91Å; Y508-L596 HydrophobicContact CE2-CD1 4.19Å; Y508-L596 VanDerWaalsContact OH-CD1 3.29Å; Y508-L596 WeakPolarHBondContact OH-CD1 3.47Å; T592-L596 HydrophobicContact CG2-CD1 3.97Å; T592-L596 HydrophobicContact CG2-CG 4.48Å; T592-L596 VanDerWaalsContact O-CG 3.32Å; T592-L596 WeakPolarHBondContact O-CG 3.14Å; T592-L596 PolarHBondContact O-N 3.45Å; Y593-L596 PolarHBondContact O-N 3.47Å; R594-L596 VanDerWaalsContact C-N 3.32Å; R594-L596 PolarHBondContact O-N 2.87Å; L596-N598 PolarHBondContact O-N 3.34Å; L596-R599 PolarHBondContact O-N 3.22Å; L596-Q600 PolarHBondContact O-N 3.5Å
597	Q	91.4	Very high	91	Very high	11 Å²	11	54.4 Å²	54.4	5%	0.051	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-47.4	173.7	-79.4	-69.5	-22.8	0	0	111.8	P505 Y593 R594 R599 Q600 R601	P505-Q597 HydrophobicContact CG-CG 3.82Å; Y593-Q597 HydrophobicContact CD1-CG 4.26Å; Y593-Q597 HydrophobicContact CE1-CG 3.84Å; Y593-Q597 HydrophobicContact CE2-CG 4.2Å; Y593-Q597 WeakPolarHBondContact O-CB 3.49Å; Y593-Q597 WeakPolarHBondContact O-CG 3.29Å; Y593-Q597 PolarHBondContact O-N 2.83Å; Y593-Q597 PolarHBondContact OH-NE2 2.92Å; R594-Q597 PolarHBondContact O-N 3.34Å; Q597-R599 VanDerWaalsContact C-N 3.26Å; Q597-R599 PolarHBondContact O-N 3.38Å; Q597-Q600 PolarHBondContact O-N 2.88Å; Q597-Q600 VanDerWaalsContact O-N 3.13Å; Q597-R601 PolarHBondContact O-N 2.66Å
598	N	89.5	Confident	90.7	Very high	91 Å²	91	55.5 Å²	55.5	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-27.9	-178.2	-69.5	-8.6	0	0	0	112.9	R594 L596	R594-N598 PolarHBondContact NH2-OD1 3.3Å; R594-N598 WeakPolarHBondContact O-CB 3.23Å; R594-N598 PolarHBondContact O-N 2.93Å; R594-N598 PolarHBondContact O-ND2 3.36Å; R594-N598 PolarHBondContact O-OD1 3.36Å; L596-N598 PolarHBondContact O-N 3.34Å
599	R	89	Confident	90.6	Very high	146 Å²	146	57.9 Å²	57.9	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-71.2	-30.7	174.8	-76.5	172.7	177.6	170.3	-1.9	112.9	E405 K595 L596 Q597	E405-R599 IonicContact OE1-CZ 3.6Å; E405-R599 IonicContact OE1-NH1 3.27Å; E405-R599 PolarHBondContact OE1-NH1 2.82Å; E405-R599 IonicContact OE2-CZ 3.48Å; E405-R599 IonicContact OE2-NH1 2.9Å; E405-R599 PolarHBondContact OE2-NH1 3.34Å; E405-R599 IonicContact OE2-NH2 3.39Å; K595-R599 WeakPolarHBondContact O-CG 3.47Å; K595-R599 PolarHBondContact O-N 3.43Å; L596-R599 PolarHBondContact O-N 3.22Å; Q597-R599 VanDerWaalsContact C-N 3.26Å; Q597-R599 PolarHBondContact O-N 3.38Å
600	Q	82.9	Confident	90.4	Very high	109 Å²	109	60 Å²	60	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-83.9	-39	-177.3	-69.4	178.7	-3.8	0	0	112.5	S504 L596 Q597	S504-Q600 PolarHBondContact O-NE2 2.98Å; S504-Q600 PolarHBondContact O-OE1 3.13Å; S504-Q600 VanDerWaalsContact O-OE1 3.05Å; L596-Q600 PolarHBondContact O-N 3.5Å; Q597-Q600 PolarHBondContact O-N 2.88Å; Q597-Q600 VanDerWaalsContact O-N 3.13Å
601	R	82.2	Confident	90.3	Very high	103 Å²	103	59.7 Å²	59.7	39%	0.389	31%	0.311	S	S	.	.			trans	-156.6	146.2	-176.9	63.8	-170.5	-172	101.5	-5.8	112.3	Q597 Q603 E607	Q597-R601 PolarHBondContact O-N 2.66Å; R601-Q603 HydrophobicContact CG-CG 4.02Å; R601-Q603 VanDerWaalsContact CZ-NE2 3.33Å; R601-E607 IonicContact NH1-OE1 3.73Å; R601-E607 PolarHBondContact NH1-OE1 3.4Å; R601-E607 IonicContact NH1-OE2 2.68Å
602	V	79	Confident	90.3	Very high	143 Å²	143	57.8 Å²	57.8	87%	0.867	30%	0.301	S	S	*	.			trans	-73.8	125.8	165.9	-178.8	0	0	0	0	108
603	Q	80.7	Confident	90.3	Very high	17 Å²	17	62.1 Å²	62.1	8%	0.079	32%	0.318	C	S	.	.			trans	-109.5	139.1	-178.4	-62.9	-178.8	-29	0	0	110.1	R601 E607 I608	R601-Q603 HydrophobicContact CG-CG 4.02Å; R601-Q603 VanDerWaalsContact CZ-NE2 3.33Å; Q603-E607 WeakPolarHBondContact CA-OE2 3.4Å; Q603-E607 HydrophobicContact CB-CB 4.04Å; Q603-E607 HydrophobicContact CG-CB 4.49Å; Q603-I608 HydrophobicContact CB-CD1 4.38Å; Q603-I608 HydrophobicContact CB-CG1 3.65Å
604	N	87.5	Confident	90.3	Very high	90 Å²	90	65.1 Å²	65.1	48%	0.481	33%	0.333	S	S	.	.			trans	-75.4	166.9	166.5	72	48.7	0	0	0	111	S606 E607 I608	N604-S606 VanDerWaalsContact C-N 3.27Å; N604-S606 PolarHBondContact O-N 3.12Å; N604-S606 WeakPolarHBondContact OD1-CA 3.44Å; N604-S606 WeakPolarHBondContact OD1-CB 3.48Å; N604-S606 PolarHBondContact OD1-N 3.29Å; N604-E607 PolarHBondContact N-OE2 3.17Å; N604-E607 PolarHBondContact ND2-OE2 3.19Å; N604-E607 WeakPolarHBondContact O-CB 3.32Å; N604-E607 PolarHBondContact O-N 3.14Å; N604-E607 VanDerWaalsContact O-N 3.1Å; N604-E607 WeakPolarHBondContact OD1-CG 3.33Å; N604-E607 PolarHBondContact OD1-N 2.94Å; N604-I608 WeakPolarHBondContact O-CG1 3.46Å; N604-I608 PolarHBondContact O-N 3.01Å
605	T	87.2	Confident	90.4	Very high	107 Å²	107	63.9 Å²	63.9	66%	0.656	33%	0.329	S	S	*	.	H	α-helix	trans	-56	-37.3	-177	-50.6	0	0	0	0	113.7	I608 L609	T605-I608 PolarHBondContact O-N 3.32Å; T605-L609 HydrophobicContact CG2-CD1 4.36Å; T605-L609 WeakPolarHBondContact O-CG 3.39Å; T605-L609 PolarHBondContact O-N 3.49Å; T605-L609 VanDerWaalsContact O-N 3.07Å
606	S	88.5	Confident	90.6	Very high	81 Å²	81	61.9 Å²	61.9	57%	0.566	32%	0.32	S	S	*	.	H	α-helix	trans	-69.2	-39.2	179	-176.2	0	0	0	0	111.9	N604 A610	N604-S606 VanDerWaalsContact C-N 3.27Å; N604-S606 PolarHBondContact O-N 3.12Å; N604-S606 WeakPolarHBondContact OD1-CA 3.44Å; N604-S606 WeakPolarHBondContact OD1-CB 3.48Å; N604-S606 PolarHBondContact OD1-N 3.29Å; S606-A610 WeakPolarHBondContact O-CB 3.32Å; S606-A610 PolarHBondContact O-N 3.25Å
607	E	90.8	Very high	90.8	Very high	68 Å²	68	62 Å²	62	32%	0.318	32%	0.32	S	S	.	.	H	α-helix	trans	-66.9	-40.1	175.8	-67.4	177.3	112.7	0	0	111.7	R601 Q603 N604 A610 S611	R601-E607 IonicContact NH1-OE1 3.73Å; R601-E607 PolarHBondContact NH1-OE1 3.4Å; R601-E607 IonicContact NH1-OE2 2.68Å; Q603-E607 WeakPolarHBondContact CA-OE2 3.4Å; Q603-E607 HydrophobicContact CB-CB 4.04Å; Q603-E607 HydrophobicContact CG-CB 4.49Å; N604-E607 PolarHBondContact N-OE2 3.17Å; N604-E607 PolarHBondContact ND2-OE2 3.19Å; N604-E607 WeakPolarHBondContact O-CB 3.32Å; N604-E607 PolarHBondContact O-N 3.14Å; N604-E607 VanDerWaalsContact O-N 3.1Å; N604-E607 WeakPolarHBondContact OD1-CG 3.33Å; N604-E607 PolarHBondContact OD1-N 2.94Å; E607-A610 PolarHBondContact O-N 2.93Å; E607-S611 WeakPolarHBondContact O-CB 3.14Å; E607-S611 PolarHBondContact O-N 2.87Å
608	I	91	Very high	91.1	Very high	50 Å²	50	62.4 Å²	62.4	26%	0.256	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-54.9	174.2	-70.1	175.9	0	0	0	109.7	Q603 N604 T605 A610 S611 D612	Q603-I608 HydrophobicContact CB-CD1 4.38Å; Q603-I608 HydrophobicContact CB-CG1 3.65Å; N604-I608 WeakPolarHBondContact O-CG1 3.46Å; N604-I608 PolarHBondContact O-N 3.01Å; T605-I608 PolarHBondContact O-N 3.32Å; I608-A610 VanDerWaalsContact C-N 3.3Å; I608-A610 PolarHBondContact O-N 3.44Å; I608-S611 VanDerWaalsContact O-CB 3.3Å; I608-S611 WeakPolarHBondContact O-CB 3.46Å; I608-S611 PolarHBondContact O-N 3.33Å; I608-S611 VanDerWaalsContact O-N 3.09Å; I608-D612 PolarHBondContact O-N 2.93Å
609	L	93.3	Very high	91.5	Very high	49 Å²	49	58 Å²	58	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-36.8	-179.1	-68.6	171.4	0	0	0	112.4	T605 R613 I660	T605-L609 HydrophobicContact CG2-CD1 4.36Å; T605-L609 WeakPolarHBondContact O-CG 3.39Å; T605-L609 PolarHBondContact O-N 3.49Å; T605-L609 VanDerWaalsContact O-N 3.07Å; L609-R613 WeakPolarHBondContact O-CB 3.31Å; L609-R613 WeakPolarHBondContact O-CG 3.37Å; L609-R613 PolarHBondContact O-N 2.98Å; L609-I660 HydrophobicContact CD2-CG2 4.09Å
610	A	94	Very high	92	Very high	46 Å²	46	51.1 Å²	51.1	38%	0.38	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-41.6	174.9	0	0	0	0	0	112.1	S606 E607 I608 L614	S606-A610 WeakPolarHBondContact O-CB 3.32Å; S606-A610 PolarHBondContact O-N 3.25Å; E607-A610 PolarHBondContact O-N 2.93Å; I608-A610 VanDerWaalsContact C-N 3.3Å; I608-A610 PolarHBondContact O-N 3.44Å; A610-L614 PolarHBondContact O-N 3.05Å; A610-L614 VanDerWaalsContact O-N 3.09Å
611	S	94.7	Very high	92.7	Very high	10 Å²	10	49.2 Å²	49.2	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-44.3	175.4	-155.1	0	0	0	0	111.4	Y593 E607 I608 L614 F615	Y593-S611 WeakPolarHBondContact CE1-OG 2.87Å; Y593-S611 PolarHBondContact OH-OG 2.97Å; E607-S611 WeakPolarHBondContact O-CB 3.14Å; E607-S611 PolarHBondContact O-N 2.87Å; I608-S611 VanDerWaalsContact O-CB 3.3Å; I608-S611 WeakPolarHBondContact O-CB 3.46Å; I608-S611 PolarHBondContact O-N 3.33Å; I608-S611 VanDerWaalsContact O-N 3.09Å; S611-L614 WeakPolarHBondContact O-CB 3.47Å; S611-L614 PolarHBondContact O-N 3.21Å; S611-F615 PolarHBondContact O-N 3.42Å
612	D	96.5	Very high	93.5	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-40.4	-178.1	-61.1	-14.5	0	0	0	111	Y590 R594 I608 L614 F615 F616 A661	Y590-D612 HydrophobicContact CE2-CB 4.33Å; Y590-D612 PolarHBondContact OH-OD2 2.87Å; R594-D612 WeakPolarHBondContact CD-OD1 3.41Å; R594-D612 IonicContact CZ-OD1 3.18Å; R594-D612 IonicContact NE-OD1 3.68Å; R594-D612 IonicContact NH1-OD1 2.64Å; R594-D612 PolarHBondContact NH1-OD1 2.95Å; R594-D612 IonicContact NH1-OD2 3.51Å; I608-D612 PolarHBondContact O-N 2.93Å; D612-L614 VanDerWaalsContact C-N 3.31Å; D612-L614 PolarHBondContact O-N 3.28Å; D612-F615 WeakPolarHBondContact O-CB 3.41Å; D612-F615 PolarHBondContact O-N 3.27Å; D612-F616 HydrophobicContact CB-CE2 4.27Å; D612-F616 WeakPolarHBondContact O-CD2 3.37Å; D612-F616 PolarHBondContact O-N 3.19Å; D612-A661 HydrophobicContact CB-CB 3.8Å
613	R	97.5	Very high	94.3	Very high	91 Å²	91	37.8 Å²	37.8	34%	0.343	21%	0.205	S	C	.	.	H	α-helix	trans	-57	-45.5	171.1	-76.5	-171.1	-67.1	-92.5	2.2	111.6	L609 F615 F616 L617 A661 Y662	L609-R613 WeakPolarHBondContact O-CB 3.31Å; L609-R613 WeakPolarHBondContact O-CG 3.37Å; L609-R613 PolarHBondContact O-N 2.98Å; R613-F615 VanDerWaalsContact C-N 3.35Å; R613-F615 PolarHBondContact O-N 2.87Å; R613-F616 PolarHBondContact O-N 3.13Å; R613-L617 WeakPolarHBondContact O-CB 3.28Å; R613-L617 PolarHBondContact O-N 2.89Å; R613-A661 WeakPolarHBondContact CD-O 3.45Å; R613-A661 HydrophobicContact CG-CB 4.13Å; R613-A661 WeakPolarHBondContact CG-O 3.42Å; R613-A661 PolarHBondContact NH1-O 2.62Å; R613-A661 VanDerWaalsContact NH1-O 3.14Å; R613-Y662 HydrophobicContact CB-CE1 4.47Å; R613-Y662 HydrophobicContact CB-CE2 3.99Å; R613-Y662 HydrophobicContact CG-CD1 4.35Å; R613-Y662 HydrophobicContact CG-CD2 4.07Å; R613-Y662 HydrophobicContact CG-CE1 4.07Å; R613-Y662 HydrophobicContact CG-CE2 3.77Å; R613-Y662 HydrophobicContact CG-CG 4.35Å; R613-Y662 PolarHBondContact O-OH 3.09Å
614	L	96.4	Very high	95.2	Very high	63 Å²	63	37 Å²	37	33%	0.33	20%	0.202	S	C	.	.	H	α-helix	trans	-63.2	-41.6	178.1	-177.9	61	0	0	0	112	T506 A610 S611 D612 L617 K618	T506-L614 HydrophobicContact CG2-CD2 3.75Å; T506-L614 HydrophobicContact CG2-CG 4.39Å; A610-L614 PolarHBondContact O-N 3.05Å; A610-L614 VanDerWaalsContact O-N 3.09Å; S611-L614 WeakPolarHBondContact O-CB 3.47Å; S611-L614 PolarHBondContact O-N 3.21Å; D612-L614 VanDerWaalsContact C-N 3.31Å; D612-L614 PolarHBondContact O-N 3.28Å; L614-L617 PolarHBondContact O-N 3.15Å; L614-K618 HydrophobicContact CD1-CD 4.44Å; L614-K618 HydrophobicContact CD1-CG 4.17Å; L614-K618 PolarHBondContact O-N 3.22Å
615	F	98.2	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.5	-54.8	175.4	173.9	-88.6	0	0	0	111.6	I509 L586 M589 Y590 Y593 S611 D612 R613 L617 K618 F619	I509-F615 HydrophobicContact CD1-CB 4.46Å; I509-F615 HydrophobicContact CD1-CD2 4.31Å; I509-F615 HydrophobicContact CG1-CD2 3.99Å; I509-F615 HydrophobicContact CG2-CD2 3.84Å; I509-F615 HydrophobicContact CG2-CE2 3.97Å; I509-F615 HydrophobicContact CG2-CG 4.49Å; L586-F615 HydrophobicContact CD1-CE1 3.71Å; L586-F615 HydrophobicContact CD1-CZ 4.12Å; M589-F615 HydrophobicContact CB-CZ 4.38Å; M589-F615 HydrophobicContact CG-CE2 4.06Å; M589-F615 HydrophobicContact CG-CZ 4.35Å; Y590-F615 AromaticContact CD2-CD1 3.6Å; Y590-F615 HydrophobicContact CD2-CD1 3.6Å; Y590-F615 AromaticContact CD2-CE1 3.73Å; Y590-F615 HydrophobicContact CD2-CE1 3.73Å; Y590-F615 HydrophobicContact CD2-CG 4.11Å; Y590-F615 HydrophobicContact CD2-CZ 4.33Å; Y590-F615 HydrophobicContact CE2-CD1 4.46Å; Y590-F615 HydrophobicContact CG-CD1 4.45Å; Y590-F615 HydrophobicContact CG-CE1 4.13Å; Y590-F615 VanDerWaalsContact N-CZ 3.35Å; Y593-F615 HydrophobicContact CD1-CB 4.12Å; Y593-F615 AromaticContact CD1-CD2 3.82Å; Y593-F615 HydrophobicContact CD1-CD2 3.82Å; Y593-F615 HydrophobicContact CD1-CG 4.22Å; Y593-F615 HydrophobicContact CD2-CD2 4.01Å; Y593-F615 HydrophobicContact CE1-CB 3.98Å; Y593-F615 HydrophobicContact CE1-CD2 4.42Å; Y593-F615 AromaticContact CG-CD2 3.59Å; Y593-F615 HydrophobicContact CG-CD2 3.59Å; Y593-F615 HydrophobicContact CG-CE2 4.21Å; Y593-F615 HydrophobicContact CG-CG 4.43Å; S611-F615 PolarHBondContact O-N 3.42Å; D612-F615 WeakPolarHBondContact O-CB 3.41Å; D612-F615 PolarHBondContact O-N 3.27Å; R613-F615 VanDerWaalsContact C-N 3.35Å; R613-F615 PolarHBondContact O-N 2.87Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 3.4Å; F615-K618 PolarHBondContact O-N 2.94Å; F615-F619 PolarHBondContact O-N 3.47Å
616	F	98.5	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-34.3	-177.3	-64.3	-58.7	0	0	0	112.5	F54 L586 Y590 D612 R613 A620 L652 T655 E657 F658 A661 Y662	F54-F616 HydrophobicContact CE1-CB 4.4Å; F54-F616 HydrophobicContact CZ-CB 4.41Å; L586-F616 HydrophobicContact CD1-CD1 4.44Å; L586-F616 HydrophobicContact CD1-CE1 4.47Å; Y590-F616 HydrophobicContact CD2-CE1 4.12Å; Y590-F616 HydrophobicContact CD2-CE2 4.39Å; Y590-F616 AromaticContact CD2-CZ 3.71Å; Y590-F616 HydrophobicContact CD2-CZ 3.71Å; Y590-F616 HydrophobicContact CE2-CE2 4.08Å; Y590-F616 AromaticContact CE2-CZ 3.73Å; Y590-F616 HydrophobicContact CE2-CZ 3.73Å; Y590-F616 HydrophobicContact CG-CZ 4.36Å; D612-F616 HydrophobicContact CB-CE2 4.27Å; D612-F616 WeakPolarHBondContact O-CD2 3.37Å; D612-F616 PolarHBondContact O-N 3.19Å; R613-F616 PolarHBondContact O-N 3.13Å; F616-A620 WeakPolarHBondContact O-CB 3.34Å; F616-A620 PolarHBondContact O-N 3.02Å; F616-L652 HydrophobicContact CB-CD2 4.14Å; F616-L652 HydrophobicContact CD1-CD2 3.37Å; F616-L652 HydrophobicContact CE1-CD2 4.08Å; F616-L652 HydrophobicContact CG-CD2 4.02Å; F616-T655 HydrophobicContact CE1-CG2 3.92Å; F616-T655 HydrophobicContact CZ-CG2 4.03Å; F616-E657 HydrophobicContact CZ-CB 4.12Å; F616-F658 HydrophobicContact CB-CD2 3.88Å; F616-F658 HydrophobicContact CB-CE2 4.47Å; F616-F658 HydrophobicContact CD1-CB 4.12Å; F616-F658 HydrophobicContact CD1-CD2 4.27Å; F616-F658 HydrophobicContact CD2-CB 4.02Å; F616-F658 AromaticContact CD2-CD2 3.94Å; F616-F658 HydrophobicContact CD2-CD2 3.94Å; F616-F658 HydrophobicContact CD2-CG 4.49Å; F616-F658 HydrophobicContact CE1-CB 3.94Å; F616-F658 HydrophobicContact CE2-CB 3.86Å; F616-F658 HydrophobicContact CG-CB 4.17Å; F616-F658 AromaticContact CG-CD2 3.76Å; F616-F658 HydrophobicContact CG-CD2 3.76Å; F616-F658 HydrophobicContact CG-CG 4.47Å; F616-F658 HydrophobicContact CZ-CB 3.82Å; F616-A661 HydrophobicContact CD2-CB 4.15Å; F616-A661 HydrophobicContact CE2-CB 4.08Å; F616-Y662 HydrophobicContact CB-CE2 4.18Å
617	L	98	Very high	95.9	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.089	15%	0.148	C	C	.	.	H	α-helix	trans	-60.9	-50.8	173.1	179.2	61.5	0	0	0	111.5	Y57 A58 R613 L614 F615 F619 A620 Q621	Y57-L617 HydrophobicContact CE1-CD1 4.21Å; A58-L617 HydrophobicContact CB-CD1 3.77Å; R613-L617 WeakPolarHBondContact O-CB 3.28Å; R613-L617 PolarHBondContact O-N 2.89Å; L614-L617 PolarHBondContact O-N 3.15Å; F615-L617 VanDerWaalsContact C-N 3.32Å; F615-L617 PolarHBondContact O-N 3.4Å; L617-F619 PolarHBondContact O-N 3.46Å; L617-A620 PolarHBondContact O-N 3.02Å; L617-Q621 HydrophobicContact CD1-CG 4.31Å; L617-Q621 WeakPolarHBondContact O-CB 3.39Å; L617-Q621 VanDerWaalsContact O-CG 3.3Å; L617-Q621 WeakPolarHBondContact O-CG 3.13Å; L617-Q621 PolarHBondContact O-N 2.89Å
618	K	97.9	Very high	95.8	Very high	20 Å²	20	29.5 Å²	29.5	9%	0.087	14%	0.143	C	C	.	.	H	α-helix	trans	-67.1	-35.4	-179.8	-71.8	-159.7	178.7	-140.5	0	112.6	E502 T506 I509 L614 F615 Q621 T622	E502-K618 IonicContact OE1-NZ 3.79Å; E502-K618 PolarHBondContact OE1-NZ 2.87Å; T506-K618 HydrophobicContact CG2-CD 4.05Å; I509-K618 HydrophobicContact CB-CB 4.05Å; I509-K618 HydrophobicContact CD1-CB 4.14Å; I509-K618 HydrophobicContact CD1-CD 3.95Å; I509-K618 HydrophobicContact CD1-CG 4.4Å; I509-K618 HydrophobicContact CG2-CB 3.78Å; L614-K618 HydrophobicContact CD1-CD 4.44Å; L614-K618 HydrophobicContact CD1-CG 4.17Å; L614-K618 PolarHBondContact O-N 3.22Å; F615-K618 PolarHBondContact O-N 2.94Å; K618-Q621 PolarHBondContact O-N 3.15Å; K618-T622 PolarHBondContact O-N 3.04Å; K618-T622 PolarHBondContact O-OG1 3.42Å
619	F	98.4	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.8	-52.7	169.2	160.8	-101.9	0	0	0	111.4	W513 L586 F615 L617 Q621 T622 L623 V648 A651 L652	W513-F619 HydrophobicContact CB-CD2 4.32Å; W513-F619 AromaticContact CD1-CD2 3.75Å; W513-F619 AromaticContact CD1-CE2 3.67Å; W513-F619 AromaticContact CD2-CD2 3.87Å; W513-F619 HydrophobicContact CD2-CD2 3.87Å; W513-F619 AromaticContact CD2-CE2 3.71Å; W513-F619 HydrophobicContact CD2-CE2 3.71Å; W513-F619 AromaticContact CE2-CE2 3.46Å; W513-F619 VanDerWaalsContact CE2-CE2 3.46Å; W513-F619 HydrophobicContact CE3-CE2 4.44Å; W513-F619 AromaticContact CG-CD2 3.67Å; W513-F619 HydrophobicContact CG-CD2 3.67Å; W513-F619 AromaticContact CG-CE2 3.86Å; W513-F619 HydrophobicContact CG-CE2 3.86Å; W513-F619 HydrophobicContact CZ2-CE2 4.01Å; W513-F619 AromaticContact NE1-CD2 3.97Å; W513-F619 AromaticContact NE1-CE2 3.39Å; L586-F619 HydrophobicContact CB-CE2 4.44Å; L586-F619 HydrophobicContact CD1-CB 4.26Å; L586-F619 HydrophobicContact CD1-CD1 3.8Å; L586-F619 HydrophobicContact CD1-CD2 3.74Å; L586-F619 HydrophobicContact CD1-CE1 4.09Å; L586-F619 HydrophobicContact CD1-CE2 4.03Å; L586-F619 HydrophobicContact CD1-CG 3.62Å; L586-F619 HydrophobicContact CD1-CZ 4.18Å; L586-F619 HydrophobicContact CD2-CD1 4.46Å; L586-F619 HydrophobicContact CD2-CE1 4.05Å; L586-F619 HydrophobicContact CD2-CZ 4.17Å; F615-F619 PolarHBondContact O-N 3.47Å; L617-F619 PolarHBondContact O-N 3.46Å; F619-Q621 VanDerWaalsContact C-N 3.27Å; F619-Q621 PolarHBondContact O-N 2.03Å; F619-T622 VanDerWaalsContact O-CB 3.26Å; F619-T622 WeakPolarHBondContact O-CB 3.18Å; F619-T622 PolarHBondContact O-N 3.23Å; F619-T622 VanDerWaalsContact O-N 3.14Å; F619-L623 HydrophobicContact CE2-CD1 3.99Å; F619-L623 HydrophobicContact CZ-CD1 4.01Å; F619-V648 HydrophobicContact CE1-CG1 4.47Å; F619-A651 HydrophobicContact CZ-CB 4.15Å; F619-L652 HydrophobicContact CD1-CD1 4.16Å; F619-L652 HydrophobicContact CD1-CD2 3.92Å; F619-L652 HydrophobicContact CD1-CG 4.1Å; F619-L652 HydrophobicContact CE1-CD1 4.08Å; F619-L652 HydrophobicContact CE1-CD2 4.02Å; F619-L652 HydrophobicContact CE1-CG 3.8Å
620	A	98.4	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-39.3	179.7	0	0	0	0	0	111.6	F54 A58 F616 L617 T622 L623 C624 V648	F54-A620 HydrophobicContact CD1-CB 3.86Å; F54-A620 HydrophobicContact CE1-CB 3.71Å; A58-A620 HydrophobicContact CB-CB 3.65Å; F616-A620 WeakPolarHBondContact O-CB 3.34Å; F616-A620 PolarHBondContact O-N 3.02Å; L617-A620 PolarHBondContact O-N 3.02Å; A620-T622 VanDerWaalsContact C-N 3.29Å; A620-T622 PolarHBondContact O-N 3.23Å; A620-L623 CarbonylContact O-C 3.53Å; A620-L623 PolarHBondContact O-N 3.35Å; A620-L623 VanDerWaalsContact O-N 3.11Å; A620-C624 PolarHBondContact O-N 3.16Å; A620-V648 HydrophobicContact CB-CG1 3.67Å; A620-V648 HydrophobicContact CB-CG2 4.47Å
621	Q	97.8	Very high	94.9	Very high	70 Å²	70	36.1 Å²	36.1	33%	0.327	17%	0.167	S	C	.	.	H	α-helix	trans	-64	-32.5	177.4	-76	174.9	-21.7	0	0	113.3	T77 L617 K618 F619 L623 C624	T77-Q621 WeakPolarHBondContact CG2-O 3.23Å; L617-Q621 HydrophobicContact CD1-CG 4.31Å; L617-Q621 WeakPolarHBondContact O-CB 3.39Å; L617-Q621 VanDerWaalsContact O-CG 3.3Å; L617-Q621 WeakPolarHBondContact O-CG 3.13Å; L617-Q621 PolarHBondContact O-N 2.89Å; K618-Q621 PolarHBondContact O-N 3.15Å; F619-Q621 VanDerWaalsContact C-N 3.27Å; F619-Q621 PolarHBondContact O-N 2.03Å; Q621-L623 PolarHBondContact O-N 2.86Å; Q621-C624 VanDerWaalsContact CA-SG 3.54Å; Q621-C624 PolarHBondContact O-N 3.43Å
622	T	98.2	Very high	94.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.9	-29.2	174.1	-61.4	0	0	0	0	112.2	T77 F497 G510 W513 I514 K618 F619 A620	T77-T622 WeakPolarHBondContact CB-O 3.06Å; T77-T622 PolarHBondContact OG1-O 3.12Å; F497-T622 HydrophobicContact CD1-CG2 3.78Å; F497-T622 HydrophobicContact CE1-CG2 3.92Å; G510-T622 WeakPolarHBondContact CA-OG1 3.02Å; W513-T622 HydrophobicContact CE3-CG2 3.99Å; W513-T622 HydrophobicContact CZ3-CG2 4.24Å; I514-T622 HydrophobicContact CD1-CG2 4.23Å; I514-T622 HydrophobicContact CG1-CG2 4.42Å; K618-T622 PolarHBondContact O-N 3.04Å; K618-T622 PolarHBondContact O-OG1 3.42Å; F619-T622 VanDerWaalsContact O-CB 3.26Å; F619-T622 WeakPolarHBondContact O-CB 3.18Å; F619-T622 PolarHBondContact O-N 3.23Å; F619-T622 VanDerWaalsContact O-N 3.14Å; A620-T622 VanDerWaalsContact C-N 3.29Å; A620-T622 PolarHBondContact O-N 3.23Å
623	L	97.6	Very high	93.9	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	19.4	-178	-70.8	171.8	0	0	0	113.1	F78 W513 F619 A620 Q621 G625 P644 R647 V648	F78-L623 HydrophobicContact CE2-CD2 4.43Å; W513-L623 HydrophobicContact CH2-CD1 3.64Å; W513-L623 HydrophobicContact CH2-CD2 3.72Å; W513-L623 HydrophobicContact CH2-CG 3.93Å; W513-L623 HydrophobicContact CZ2-CD1 3.98Å; W513-L623 HydrophobicContact CZ3-CD1 4.06Å; W513-L623 HydrophobicContact CZ3-CD2 3.81Å; W513-L623 HydrophobicContact CZ3-CG 3.92Å; F619-L623 HydrophobicContact CE2-CD1 3.99Å; F619-L623 HydrophobicContact CZ-CD1 4.01Å; A620-L623 CarbonylContact O-C 3.53Å; A620-L623 PolarHBondContact O-N 3.35Å; A620-L623 VanDerWaalsContact O-N 3.11Å; Q621-L623 PolarHBondContact O-N 2.86Å; L623-G625 PolarHBondContact O-N 3.33Å; L623-P644 WeakPolarHBondContact O-CB 3.45Å; L623-R647 HydrophobicContact CD1-CB 4.11Å; L623-V648 HydrophobicContact CB-CG2 3.57Å; L623-V648 HydrophobicContact CD1-CG2 3.95Å; L623-V648 HydrophobicContact CG-CG2 4.44Å
624	C	98.1	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.			trans	-62.5	130.2	172.9	-65.4	0	0	0	0	110.7	C59 W62 N76 T77 A620 Q621	C59-C624 WeakPolarHBondContact CA-SG 3.45Å; C59-C624 HydrophobicContact CB-CB 3.74Å; C59-C624 WeakPolarHBondContact CB-SG 3.48Å; C59-C624 WeakPolarHBondContact SG-CA 3.25Å; C59-C624 WeakPolarHBondContact SG-CB 3.5Å; C59-C624 CovalentContact SG-SG 2.04Å; C59-C624 PolarHBondContact SG-SG 2.93Å; W62-C624 HydrophobicContact CB-CB 4.32Å; W62-C624 HydrophobicContact CD2-CB 3.55Å; W62-C624 HydrophobicContact CE3-CB 3.48Å; W62-C624 VanDerWaalsContact CE3-CB 3.48Å; W62-C624 HydrophobicContact CG-CB 3.92Å; W62-C624 HydrophobicContact CZ3-CB 4.08Å; N76-C624 CarbonylContact C-O 3.5Å; N76-C624 VanDerWaalsContact CA-O 3.25Å; N76-C624 WeakPolarHBondContact CA-O 3.43Å; N76-C624 WeakPolarHBondContact CB-O 3.46Å; T77-C624 HydrophobicContact CG2-CB 4.12Å; T77-C624 PolarHBondContact N-O 3.32Å; A620-C624 PolarHBondContact O-N 3.16Å; Q621-C624 VanDerWaalsContact CA-SG 3.54Å; Q621-C624 PolarHBondContact O-N 3.43Å
625	G	95.6	Very high	92.9	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	154	-179.7	0	0	0	0	0	115.6	Y55 I75 L623 P644	Y55-G625 PolarHBondContact OH-N 3.29Å; Y55-G625 PolarHBondContact OH-O 2.89Å; I75-G625 CarbonylContact O-C 3.47Å; I75-G625 WeakPolarHBondContact O-CA 3.23Å; L623-G625 PolarHBondContact O-N 3.33Å; G625-P644 WeakPolarHBondContact O-CG 3.42Å
626	R	92.3	Very high	92.2	Very high	134 Å²	134	45.5 Å²	45.5	51%	0.506	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.1	-171.3	-157.4	174.4	171.8	151.5	-8	111.5	E63 I68 E74 I75	E63-R626 WeakPolarHBondContact OE2-CD 3.47Å; E63-R626 IonicContact OE2-CZ 3.9Å; E63-R626 IonicContact OE2-NH1 3.92Å; E63-R626 PolarHBondContact OE2-NH1 3.35Å; I68-R626 HydrophobicContact CD1-CB 4.11Å; I68-R626 HydrophobicContact CD1-CG 4.24Å; E74-R626 CarbonylContact C-O 3.41Å; E74-R626 WeakPolarHBondContact CA-O 3.03Å; E74-R626 WeakPolarHBondContact CB-O 3Å; I75-R626 PolarHBondContact N-O 2.89Å; I75-R626 PolarHBondContact O-N 3.26Å
627	V	90.2	Very high	91.5	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.2	175.4	-178.5	0	0	0	0	109.2	E74 R632 H635 V643	E74-V627 HydrophobicContact CB-CB 4.49Å; E74-V627 HydrophobicContact CB-CG2 4.14Å; V627-R632 HydrophobicContact CG1-CG 4.38Å; V627-H635 HydrophobicContact CG1-CB 4.08Å; V627-V643 HydrophobicContact CB-CG1 4.27Å; V627-V643 HydrophobicContact CG2-CB 4.37Å; V627-V643 HydrophobicContact CG2-CG1 3.78Å
628	H	89.5	Confident	90.8	Very high	45 Å²	45	53.8 Å²	53.8	21%	0.208	25%	0.25	C	S	.	.			trans	-59.7	142.5	177.1	-167.3	-102.3	0	0	0	110	I68 R73 D630 S631 R632	I68-H628 HydrophobicContact CD1-CB 4.23Å; I68-H628 HydrophobicContact CG2-CB 4.21Å; R73-H628 VanDerWaalsContact O-CB 3.26Å; R73-H628 WeakPolarHBondContact O-CB 3.37Å; R73-H628 PolarHBondContact O-N 2.94Å; H628-D630 IonicContact CE1-OD2 3.98Å; H628-D630 PolarHBondContact CE1-OD2 3.41Å; H628-D630 PolarHBondContact ND1-N 3.31Å; H628-D630 IonicContact ND1-OD2 3.12Å; H628-D630 PolarHBondContact ND1-OD2 3.13Å; H628-D630 PolarHBondContact O-N 3.36Å; H628-S631 WeakPolarHBondContact O-CA 3.43Å; H628-S631 PolarHBondContact O-N 3.24Å; H628-R632 PolarHBondContact O-N 3.07Å
629	K	86.1	Confident	90.3	Very high	149 Å²	149	54.4 Å²	54.4	65%	0.648	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-51.1	-44.6	-177.3	51.8	168.2	-168.5	179.3	0	112.4	S631 R632	K629-S631 PolarHBondContact O-N 2.95Å; K629-R632 WeakPolarHBondContact O-CB 3.18Å; K629-R632 PolarHBondContact O-N 2.8Å
630	D	86	Confident	89.9	Confident	120 Å²	120	58.1 Å²	58.1	64%	0.642	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-75.3	-12.3	-176.7	-52.8	-27.3	0	0	0	112.5	H628	H628-D630 IonicContact CE1-OD2 3.98Å; H628-D630 PolarHBondContact CE1-OD2 3.41Å; H628-D630 PolarHBondContact ND1-N 3.31Å; H628-D630 IonicContact ND1-OD2 3.12Å; H628-D630 PolarHBondContact ND1-OD2 3.13Å; H628-D630 PolarHBondContact O-N 3.36Å
631	S	86.4	Confident	89.5	Confident	15 Å²	15	60.5 Å²	60.5	11%	0.105	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-101.2	-2.3	177	-60.4	0	0	0	0	113.4	R73 H628 K629 S633 Y634 H635	R73-S631 WeakPolarHBondContact CA-OG 3.21Å; R73-S631 VanDerWaalsContact CB-OG 3.3Å; R73-S631 WeakPolarHBondContact CB-OG 3Å; R73-S631 WeakPolarHBondContact CG-OG 3.25Å; R73-S631 WeakPolarHBondContact O-CB 3.12Å; H628-S631 WeakPolarHBondContact O-CA 3.43Å; H628-S631 PolarHBondContact O-N 3.24Å; K629-S631 PolarHBondContact O-N 2.95Å; S631-S633 PolarHBondContact O-N 3.32Å; S631-Y634 PolarHBondContact O-N 2.63Å; S631-H635 PolarHBondContact O-N 3.2Å
632	R	84.8	Confident	89.2	Confident	124 Å²	124	57.5 Å²	57.5	47%	0.468	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-42.2	-179.9	-73.6	-174.9	178.7	-174.1	0.8	112.7	V627 H628 K629 H635 K636	V627-R632 HydrophobicContact CG1-CG 4.38Å; H628-R632 PolarHBondContact O-N 3.07Å; K629-R632 WeakPolarHBondContact O-CB 3.18Å; K629-R632 PolarHBondContact O-N 2.8Å; R632-H635 PolarHBondContact O-N 3.05Å; R632-K636 WeakPolarHBondContact O-CB 3.32Å; R632-K636 PolarHBondContact O-N 2.99Å
633	S	86	Confident	88.9	Confident	79 Å²	79	59.1 Å²	59.1	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-62.7	-43.8	176.6	-179.8	0	0	0	0	111.7	S631 H635 K636 N637	S631-S633 PolarHBondContact O-N 3.32Å; S633-H635 PolarHBondContact O-N 3.13Å; S633-K636 WeakPolarHBondContact O-CB 3.21Å; S633-K636 PolarHBondContact O-N 3.38Å; S633-N637 WeakPolarHBondContact O-CB 3.44Å; S633-N637 PolarHBondContact O-N 3.4Å; S633-N637 VanDerWaalsContact O-N 3.07Å; S633-N637 PolarHBondContact O-ND2 3.33Å
634	Y	84.7	Confident	88.8	Confident	111 Å²	111	59.3 Å²	59.3	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-50.3	175.3	177.6	-89.4	0	0	0	111.6	S631 K636 N637 H638	S631-Y634 PolarHBondContact O-N 2.63Å; Y634-K636 VanDerWaalsContact C-N 3.32Å; Y634-K636 PolarHBondContact O-N 3.4Å; Y634-N637 PolarHBondContact O-N 2.99Å; Y634-N637 VanDerWaalsContact O-N 3.13Å; Y634-H638 AromaticContact CD2-ND1 3.58Å; Y634-H638 HydrophobicContact CE1-CB 4.33Å; Y634-H638 HydrophobicContact CE2-CB 4.31Å; Y634-H638 AromaticContact CE2-CG 3.98Å; Y634-H638 AromaticContact CE2-ND1 3.77Å; Y634-H638 PolarHBondContact O-N 3.02Å; Y634-H638 PolarHBondContact O-ND1 2.77Å; Y634-H638 VanDerWaalsContact O-ND1 3.08Å
635	H	87.4	Confident	88.6	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-36.3	178.4	-178.9	-73.1	0	0	0	112.2	E74 K569 V627 S631 R632 S633 N637 V639 H641 V643	E74-H635 IonicContact OE2-CD2 2.6Å; K569-H635 PolarHBondContact NZ-ND1 2.98Å; K569-H635 PolarHBondContact NZ-O 3.27Å; V627-H635 HydrophobicContact CG1-CB 4.08Å; S631-H635 PolarHBondContact O-N 3.2Å; R632-H635 PolarHBondContact O-N 3.05Å; S633-H635 PolarHBondContact O-N 3.13Å; H635-N637 VanDerWaalsContact C-N 3.26Å; H635-N637 PolarHBondContact O-N 3.26Å; H635-V639 WeakPolarHBondContact O-CB 3.44Å; H635-V639 PolarHBondContact O-N 3.33Å; H635-H641 PolarHBondContact CE1-O 3.13Å; H635-H641 VanDerWaalsContact CE1-O 3.22Å; H635-H641 AromaticContact NE2-CE1 3.67Å; H635-H641 AromaticContact NE2-ND1 3.86Å; H635-V643 PolarHBondContact CE1-N 3.38Å
636	K	85.1	Confident	88.5	Confident	48 Å²	48	65.2 Å²	65.2	21%	0.209	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-40.9	173.9	-175.6	-169.3	174.8	-164.5	0	110.9	D565 E568 R572 R632 S633 Y634	D565-K636 HydrophobicContact CB-CD 4.25Å; D565-K636 WeakPolarHBondContact O-CE 3.32Å; E568-K636 WeakPolarHBondContact OE2-CE 3.23Å; E568-K636 IonicContact OE2-NZ 3.52Å; E568-K636 PolarHBondContact OE2-NZ 3.48Å; R572-K636 PolarHBondContact NH1-O 3.3Å; R632-K636 WeakPolarHBondContact O-CB 3.32Å; R632-K636 PolarHBondContact O-N 2.99Å; S633-K636 WeakPolarHBondContact O-CB 3.21Å; S633-K636 PolarHBondContact O-N 3.38Å; Y634-K636 VanDerWaalsContact C-N 3.32Å; Y634-K636 PolarHBondContact O-N 3.4Å
637	N	83.4	Confident	88.6	Confident	65 Å²	65	59.9 Å²	59.9	35%	0.348	29%	0.285	S	S	.	.	H	α-helix	trans	-92	-27.4	-169.6	-69.1	-27.4	0	0	0	115.2	R572 S633 Y634 H635	R572-N637 PolarHBondContact NH1-O 3.27Å; S633-N637 WeakPolarHBondContact O-CB 3.44Å; S633-N637 PolarHBondContact O-N 3.4Å; S633-N637 VanDerWaalsContact O-N 3.07Å; S633-N637 PolarHBondContact O-ND2 3.33Å; Y634-N637 PolarHBondContact O-N 2.99Å; Y634-N637 VanDerWaalsContact O-N 3.13Å; H635-N637 VanDerWaalsContact C-N 3.26Å; H635-N637 PolarHBondContact O-N 3.26Å
638	H	83.4	Confident	88.9	Confident	126 Å²	126	59.5 Å²	59.5	58%	0.583	28%	0.283	S	S	*	.	H	α-helix	trans	-124.5	-3.3	-169.2	-55.2	87.3	0	0	0	115.3	Y634	Y634-H638 AromaticContact CD2-ND1 3.58Å; Y634-H638 HydrophobicContact CE1-CB 4.33Å; Y634-H638 HydrophobicContact CE2-CB 4.31Å; Y634-H638 AromaticContact CE2-CG 3.98Å; Y634-H638 AromaticContact CE2-ND1 3.77Å; Y634-H638 PolarHBondContact O-N 3.02Å; Y634-H638 PolarHBondContact O-ND1 2.77Å; Y634-H638 VanDerWaalsContact O-ND1 3.08Å
639	V	87.1	Confident	89.2	Confident	33 Å²	33	58 Å²	58	20%	0.2	28%	0.277	C	S	.	.			trans	-115.7	131.6	177.4	179	0	0	0	0	107.5	K569 H635 H641	K569-V639 WeakPolarHBondContact CE-O 3.46Å; K569-V639 PolarHBondContact NZ-O 3.35Å; H635-V639 WeakPolarHBondContact O-CB 3.44Å; H635-V639 PolarHBondContact O-N 3.33Å; V639-H641 WeakPolarHBondContact CG1-CE1 3.31Å; V639-H641 WeakPolarHBondContact CG1-NE2 3.47Å
640	D	89.9	Confident	89.5	Confident	79 Å²	79	51 Å²	51	42%	0.422	25%	0.247	S	C	.	.	S	Bend	trans	-75.8	-40.8	-174.9	-75.9	-37.3	0	0	0	112.8	K569 T575 E578	K569-D640 VanDerWaalsContact CE-O 3.24Å; K569-D640 WeakPolarHBondContact CE-O 3.44Å; T575-D640 WeakPolarHBondContact CA-O 3.07Å; T575-D640 VanDerWaalsContact CB-O 3.29Å; T575-D640 WeakPolarHBondContact CB-O 3.29Å; T575-D640 WeakPolarHBondContact CG2-O 3.42Å; T575-D640 PolarHBondContact OG1-O 3.13Å; E578-D640 HydrophobicContact CG-CB 4.07Å
641	H	90.4	Very high	89.9	Confident	50 Å²	50	45.3 Å²	45.3	23%	0.231	22%	0.216	C	C	.	.	S	Bend	trans	-74.8	157.6	179.8	64.2	68.3	0	0	0	112.9	K569 E578 H635 V639	K569-H641 VanDerWaalsContact CE-O 3.3Å; K569-H641 WeakPolarHBondContact CE-O 3.34Å; K569-H641 PolarHBondContact NZ-O 3.36Å; E578-H641 HydrophobicContact CB-CB 4.06Å; E578-H641 HydrophobicContact CG-CB 3.9Å; H635-H641 PolarHBondContact CE1-O 3.13Å; H635-H641 VanDerWaalsContact CE1-O 3.22Å; H635-H641 AromaticContact NE2-CE1 3.67Å; H635-H641 AromaticContact NE2-ND1 3.86Å; V639-H641 WeakPolarHBondContact CG1-CE1 3.31Å; V639-H641 WeakPolarHBondContact CG1-NE2 3.47Å
642	F	91.5	Very high	90.4	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.031	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69.2	167.3	172.1	-69.9	-80.7	0	0	0	112.3	Y560 K569 T575 I579 R647	Y560-F642 AromaticContact CD1-CD2 3.46Å; Y560-F642 HydrophobicContact CD1-CD2 3.46Å; Y560-F642 VanDerWaalsContact CD1-CD2 3.46Å; Y560-F642 AromaticContact CD1-CE2 3.45Å; Y560-F642 HydrophobicContact CD1-CE2 3.45Å; Y560-F642 VanDerWaalsContact CD1-CE2 3.45Å; Y560-F642 HydrophobicContact CD1-CG 4.1Å; Y560-F642 HydrophobicContact CD1-CZ 4.09Å; Y560-F642 AromaticContact CE1-CD2 3.79Å; Y560-F642 HydrophobicContact CE1-CD2 3.79Å; Y560-F642 HydrophobicContact CE1-CE2 4.11Å; Y560-F642 HydrophobicContact CG-CD2 4.43Å; Y560-F642 AromaticContact CG-CE2 3.99Å; Y560-F642 HydrophobicContact CG-CE2 3.99Å; Y560-F642 HydrophobicContact CG-CZ 4.41Å; K569-F642 HydrophobicContact CB-CE1 4.42Å; K569-F642 HydrophobicContact CD-CD1 4.32Å; K569-F642 HydrophobicContact CD-CE1 4.25Å; K569-F642 HydrophobicContact CG-CE1 4.34Å; T575-F642 HydrophobicContact CG2-CD2 4.12Å; T575-F642 HydrophobicContact CG2-CE1 4.45Å; T575-F642 HydrophobicContact CG2-CE2 3.39Å; T575-F642 HydrophobicContact CG2-CZ 3.59Å; I579-F642 HydrophobicContact CD1-CE2 3.79Å; I579-F642 HydrophobicContact CD1-CZ 4.48Å; I579-F642 HydrophobicContact CG1-CD2 4.32Å; I579-F642 HydrophobicContact CG1-CE2 3.75Å; F642-R647 HydrophobicContact CB-CG 4.23Å; F642-R647 WeakPolarHBondContact O-CD 3.4Å
643	V	92.2	Very high	90.9	Very high	33 Å²	33	39 Å²	39	20%	0.2	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-59	149.7	169.4	-60	0	0	0	0	109.5	V627 H635 R645 Y646 R647	V627-V643 HydrophobicContact CB-CG1 4.27Å; V627-V643 HydrophobicContact CG2-CB 4.37Å; V627-V643 HydrophobicContact CG2-CG1 3.78Å; H635-V643 PolarHBondContact CE1-N 3.38Å; V643-R645 VanDerWaalsContact C-N 3.26Å; V643-R645 PolarHBondContact O-N 3.06Å; V643-R645 VanDerWaalsContact O-N 3.08Å; V643-Y646 HydrophobicContact CG2-CD2 3.35Å; V643-Y646 HydrophobicContact CG2-CE2 3.62Å; V643-Y646 HydrophobicContact CG2-CG 4.04Å; V643-Y646 PolarHBondContact O-N 3.32Å; V643-R647 PolarHBondContact O-N 2.98Å
644	P	94.3	Very high	91.3	Very high	9 Å²	9	36 Å²	36	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-36.1	-165.5	-24.8	32.8	0	0	0	114.4	L623 G625 Y646 R647 V648	L623-P644 WeakPolarHBondContact O-CB 3.45Å; G625-P644 WeakPolarHBondContact O-CG 3.42Å; P644-Y646 VanDerWaalsContact C-N 3.31Å; P644-Y646 PolarHBondContact O-N 3.26Å; P644-R647 WeakPolarHBondContact O-CB 3.43Å; P644-R647 PolarHBondContact O-N 3.17Å; P644-R647 VanDerWaalsContact O-N 3.14Å; P644-V648 PolarHBondContact O-N 2.85Å; P644-V648 VanDerWaalsContact O-N 3.1Å
645	R	94.2	Very high	91.8	Very high	93 Å²	93	31.2 Å²	31.2	35%	0.351	15%	0.151	S	C	.	.	H	α-helix	trans	-49.9	-46.5	171.5	176.7	172.5	173.5	-176.9	-6.4	113.9	N53 Y55 V643 I649	N53-R645 VanDerWaalsContact ND2-CZ 3.25Å; N53-R645 PolarHBondContact ND2-NE 3.33Å; N53-R645 PolarHBondContact ND2-NH2 2.93Å; Y55-R645 HydrophobicContact CD1-CB 3.73Å; Y55-R645 HydrophobicContact CD1-CG 3.67Å; Y55-R645 VanDerWaalsContact CD2-CA 3.47Å; Y55-R645 HydrophobicContact CD2-CB 4.08Å; Y55-R645 HydrophobicContact CE1-CB 3.92Å; Y55-R645 HydrophobicContact CE1-CG 4.3Å; Y55-R645 HydrophobicContact CE2-CB 4.21Å; Y55-R645 HydrophobicContact CG-CB 3.83Å; Y55-R645 HydrophobicContact CG-CG 3.8Å; V643-R645 VanDerWaalsContact C-N 3.26Å; V643-R645 PolarHBondContact O-N 3.06Å; V643-R645 VanDerWaalsContact O-N 3.08Å; R645-I649 HydrophobicContact CG-CD1 4.45Å; R645-I649 WeakPolarHBondContact O-CG1 3.32Å; R645-I649 PolarHBondContact O-N 3.38Å; R645-I649 VanDerWaalsContact O-N 3.11Å
646	Y	93.5	Very high	92.1	Very high	34 Å²	34	36.8 Å²	36.8	13%	0.133	18%	0.177	C	C	.	.	H	α-helix	trans	-79	-24.4	-176.5	-59.2	-37.3	0	0	0	112.7	Y560 H563 P564 V643 P644 I649 G650	Y560-Y646 VanDerWaalsContact CE1-O 3.22Å; Y560-Y646 WeakPolarHBondContact CE1-O 3.3Å; H563-Y646 HydrophobicContact CB-CD1 3.93Å; H563-Y646 HydrophobicContact CB-CD2 3.94Å; H563-Y646 HydrophobicContact CB-CE1 3.75Å; H563-Y646 HydrophobicContact CB-CE2 3.78Å; H563-Y646 HydrophobicContact CB-CG 4.05Å; H563-Y646 AromaticContact CD2-CD1 3.51Å; H563-Y646 AromaticContact CD2-CG 3.74Å; H563-Y646 AromaticContact CG-CD1 3.44Å; H563-Y646 VanDerWaalsContact CG-CD1 3.44Å; H563-Y646 AromaticContact CG-CE1 3.54Å; H563-Y646 AromaticContact CG-CG 3.87Å; H563-Y646 AromaticContact ND1-CD1 3.78Å; H563-Y646 AromaticContact ND1-CE1 3.65Å; H563-Y646 AromaticContact NE2-CD1 3.88Å; P564-Y646 WeakPolarHBondContact CD-OH 3.41Å; V643-Y646 HydrophobicContact CG2-CD2 3.35Å; V643-Y646 HydrophobicContact CG2-CE2 3.62Å; V643-Y646 HydrophobicContact CG2-CG 4.04Å; V643-Y646 PolarHBondContact O-N 3.32Å; P644-Y646 VanDerWaalsContact C-N 3.31Å; P644-Y646 PolarHBondContact O-N 3.26Å; Y646-I649 HydrophobicContact CD1-CD1 3.74Å; Y646-I649 HydrophobicContact CD1-CG1 4.35Å; Y646-I649 HydrophobicContact CE1-CD1 4.25Å; Y646-G650 WeakPolarHBondContact O-CA 3.16Å; Y646-G650 PolarHBondContact O-N 3.2Å
647	R	94.9	Very high	92.7	Very high	21 Å²	21	37 Å²	37	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-49.6	169.3	-60.7	-176.3	68.7	179.6	0.4	110.7	H517 D582 L623 F642 V643 P644 A651	H517-R647 PolarHBondContact CE1-NH2 3.1Å; H517-R647 VanDerWaalsContact CE1-NH2 3.29Å; D582-R647 IonicContact OD1-CZ 2.98Å; D582-R647 IonicContact OD1-NE 3.1Å; D582-R647 PolarHBondContact OD1-NE 2.87Å; D582-R647 IonicContact OD1-NH2 2.82Å; D582-R647 PolarHBondContact OD1-NH2 3.34Å; D582-R647 WeakPolarHBondContact OD2-CB 3.5Å; D582-R647 WeakPolarHBondContact OD2-CG 3.47Å; D582-R647 IonicContact OD2-CZ 3.76Å; D582-R647 IonicContact OD2-NE 2.75Å; D582-R647 PolarHBondContact OD2-NE 3.32Å; D582-R647 IonicContact OD2-NH2 3.71Å; L623-R647 HydrophobicContact CD1-CB 4.11Å; F642-R647 HydrophobicContact CB-CG 4.23Å; F642-R647 WeakPolarHBondContact O-CD 3.4Å; V643-R647 PolarHBondContact O-N 2.98Å; P644-R647 WeakPolarHBondContact O-CB 3.43Å; P644-R647 PolarHBondContact O-N 3.17Å; P644-R647 VanDerWaalsContact O-N 3.14Å; R647-A651 WeakPolarHBondContact O-CB 3.22Å; R647-A651 PolarHBondContact O-N 2.78Å; R647-A651 VanDerWaalsContact O-N 3.15Å
648	V	96.5	Very high	93.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-56.7	179.6	173.8	0	0	0	0	112.2	Y55 F619 A620 L623 P644 G650 A651 L652	Y55-V648 HydrophobicContact CD2-CB 4.08Å; Y55-V648 HydrophobicContact CD2-CG1 4.45Å; Y55-V648 HydrophobicContact CD2-CG2 3.99Å; F619-V648 HydrophobicContact CE1-CG1 4.47Å; A620-V648 HydrophobicContact CB-CG1 3.67Å; A620-V648 HydrophobicContact CB-CG2 4.47Å; L623-V648 HydrophobicContact CB-CG2 3.57Å; L623-V648 HydrophobicContact CD1-CG2 3.95Å; L623-V648 HydrophobicContact CG-CG2 4.44Å; P644-V648 PolarHBondContact O-N 2.85Å; P644-V648 VanDerWaalsContact O-N 3.1Å; V648-G650 VanDerWaalsContact C-N 3.33Å; V648-G650 PolarHBondContact O-N 2.99Å; V648-A651 PolarHBondContact O-N 3.2Å; V648-L652 HydrophobicContact CG1-CD1 3.71Å; V648-L652 WeakPolarHBondContact O-CB 3.43Å; V648-L652 WeakPolarHBondContact O-CG 3.28Å; V648-L652 PolarHBondContact O-N 3.37Å
649	I	95.1	Very high	94	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.077	14%	0.137	C	C	.	.	H	α-helix	trans	-70.6	-32.4	-174.9	71.4	-174.1	0	0	0	112.2	R645 Y646 S653 M670	R645-I649 HydrophobicContact CG-CD1 4.45Å; R645-I649 WeakPolarHBondContact O-CG1 3.32Å; R645-I649 PolarHBondContact O-N 3.38Å; R645-I649 VanDerWaalsContact O-N 3.11Å; Y646-I649 HydrophobicContact CD1-CD1 3.74Å; Y646-I649 HydrophobicContact CD1-CG1 4.35Å; Y646-I649 HydrophobicContact CE1-CD1 4.25Å; I649-S653 WeakPolarHBondContact O-CB 3.41Å; I649-S653 PolarHBondContact O-N 2.91Å; I649-S653 PolarHBondContact O-OG 3.45Å; I649-M670 HydrophobicContact CB-CE 4.3Å; I649-M670 HydrophobicContact CB-SD 3.86Å; I649-M670 HydrophobicContact CG2-CE 4.45Å; I649-M670 HydrophobicContact CG2-SD 3.93Å
650	G	92.7	Very high	94.5	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-42	177.1	0	0	0	0	0	112.2	Y560 Y646 V648 S653 N654	Y560-G650 VanDerWaalsContact OH-C 3.32Å; Y560-G650 WeakPolarHBondContact OH-CA 3.47Å; Y646-G650 WeakPolarHBondContact O-CA 3.16Å; Y646-G650 PolarHBondContact O-N 3.2Å; V648-G650 VanDerWaalsContact C-N 3.33Å; V648-G650 PolarHBondContact O-N 2.99Å; G650-S653 PolarHBondContact O-OG 2.99Å; G650-N654 PolarHBondContact O-ND2 3.21Å
651	A	95.1	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-72.2	-48.8	176.9	0	0	0	0	0	112.5	Y560 N583 L586 F619 R647 V648 S653 N654 T655	Y560-A651 PolarHBondContact OH-N 2.86Å; N583-A651 WeakPolarHBondContact OD1-CA 3.22Å; L586-A651 HydrophobicContact CD2-CB 3.69Å; F619-A651 HydrophobicContact CZ-CB 4.15Å; R647-A651 WeakPolarHBondContact O-CB 3.22Å; R647-A651 PolarHBondContact O-N 2.78Å; R647-A651 VanDerWaalsContact O-N 3.15Å; V648-A651 PolarHBondContact O-N 3.2Å; A651-S653 PolarHBondContact O-N 2.97Å; A651-N654 PolarHBondContact O-N 3.26Å; A651-T655 PolarHBondContact O-N 3.42Å; A651-T655 PolarHBondContact O-OG1 3.29Å
652	L	96.8	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-69.1	-36.6	-175.4	-69.2	171.3	0	0	0	113.5	F54 L586 F616 F619 V648 N654 T655 F658 M670	F54-L652 HydrophobicContact CB-CD1 4.21Å; F54-L652 HydrophobicContact CD1-CD1 3.24Å; F54-L652 HydrophobicContact CE1-CD1 3.85Å; F54-L652 HydrophobicContact CG-CD1 3.94Å; L586-L652 HydrophobicContact CD2-CD2 3.84Å; L586-L652 HydrophobicContact CD2-CG 4.36Å; F616-L652 HydrophobicContact CB-CD2 4.14Å; F616-L652 HydrophobicContact CD1-CD2 3.37Å; F616-L652 HydrophobicContact CE1-CD2 4.08Å; F616-L652 HydrophobicContact CG-CD2 4.02Å; F619-L652 HydrophobicContact CD1-CD1 4.16Å; F619-L652 HydrophobicContact CD1-CD2 3.92Å; F619-L652 HydrophobicContact CD1-CG 4.1Å; F619-L652 HydrophobicContact CE1-CD1 4.08Å; F619-L652 HydrophobicContact CE1-CD2 4.02Å; F619-L652 HydrophobicContact CE1-CG 3.8Å; V648-L652 HydrophobicContact CG1-CD1 3.71Å; V648-L652 WeakPolarHBondContact O-CB 3.43Å; V648-L652 WeakPolarHBondContact O-CG 3.28Å; V648-L652 PolarHBondContact O-N 3.37Å; L652-N654 PolarHBondContact O-N 3.08Å; L652-T655 WeakPolarHBondContact O-CB 3.35Å; L652-T655 PolarHBondContact O-N 3.36Å; L652-F658 HydrophobicContact CB-CD1 4.14Å; L652-F658 HydrophobicContact CB-CD2 4.27Å; L652-F658 HydrophobicContact CB-CE1 4.44Å; L652-F658 HydrophobicContact CB-CG 4.08Å; L652-F658 HydrophobicContact CD1-CD2 4.32Å; L652-F658 HydrophobicContact CD1-CE2 4.21Å; L652-F658 HydrophobicContact CD2-CB 4.17Å; L652-F658 HydrophobicContact CD2-CD2 3.76Å; L652-F658 HydrophobicContact CD2-CE2 4.45Å; L652-F658 HydrophobicContact CD2-CG 3.98Å; L652-F658 HydrophobicContact CG-CD2 4.35Å; L652-F658 WeakPolarHBondContact O-CD1 3.36Å; L652-M670 HydrophobicContact CB-CE 3.62Å
653	S	95	Very high	95.4	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.049	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.1	177.3	62	0	0	0	0	113.4	I649 G650 A651 P672	I649-S653 WeakPolarHBondContact O-CB 3.41Å; I649-S653 PolarHBondContact O-N 2.91Å; I649-S653 PolarHBondContact O-OG 3.45Å; G650-S653 PolarHBondContact O-OG 2.99Å; A651-S653 PolarHBondContact O-N 2.97Å; S653-P672 VanDerWaalsContact O-CD 3.25Å; S653-P672 WeakPolarHBondContact O-CD 3.36Å; S653-P672 WeakPolarHBondContact O-CG 3.27Å
654	N	93.5	Very high	95.7	Very high	15 Å²	15	32 Å²	32	8%	0.08	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.3	173.4	-71.9	-67.3	0	0	0	113.5	L556 H559 G650 A651 L652 C676	L556-N654 HydrophobicContact CD2-CB 4.18Å; L556-N654 VanDerWaalsContact CD2-ND2 3.32Å; L556-N654 WeakPolarHBondContact CD2-ND2 3.26Å; H559-N654 PolarHBondContact CE1-OD1 3.32Å; H559-N654 VanDerWaalsContact CE1-OD1 3.23Å; H559-N654 PolarHBondContact ND1-OD1 3.37Å; G650-N654 PolarHBondContact O-ND2 3.21Å; A651-N654 PolarHBondContact O-N 3.26Å; L652-N654 PolarHBondContact O-N 3.08Å; N654-C676 PolarHBondContact OD1-N 2.98Å
655	T	95.1	Very high	95.9	Very high	10 Å²	10	35.6 Å²	35.6	6%	0.061	18%	0.178	C	C	.	.			trans	-103.3	112.6	-178.3	-56.1	0	0	0	0	110.1	L586 F616 A651 L652 E657 F658 A659	L586-T655 WeakPolarHBondContact CD2-OG1 3.26Å; F616-T655 HydrophobicContact CE1-CG2 3.92Å; F616-T655 HydrophobicContact CZ-CG2 4.03Å; A651-T655 PolarHBondContact O-N 3.42Å; A651-T655 PolarHBondContact O-OG1 3.29Å; L652-T655 WeakPolarHBondContact O-CB 3.35Å; L652-T655 PolarHBondContact O-N 3.36Å; T655-E657 HydrophobicContact CG2-CB 4.44Å; T655-F658 HydrophobicContact CG2-CB 4.08Å; T655-F658 WeakPolarHBondContact O-CB 3.43Å; T655-F658 PolarHBondContact O-N 2.83Å; T655-A659 PolarHBondContact O-N 3.43Å
656	E	95.2	Very high	96	Very high	125 Å²	125	37.4 Å²	37.4	58%	0.584	19%	0.193	S	C	*	.	H	α-helix	trans	-66.6	-39.3	-178.1	-176.5	171.7	-173.3	0	0	112.1	F658 A659 I660	E656-F658 PolarHBondContact O-N 2.89Å; E656-A659 WeakPolarHBondContact O-CB 3.29Å; E656-A659 PolarHBondContact O-N 3.39Å; E656-I660 HydrophobicContact CG-CD1 4.13Å; E656-I660 WeakPolarHBondContact O-CG1 3.44Å; E656-I660 PolarHBondContact O-N 3Å
657	E	95.9	Very high	96.1	Very high	53 Å²	53	38.1 Å²	38.1	25%	0.248	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-30.9	179.7	-61.8	88.4	173	0	0	112.4	K587 Y590 F616 T655 I660 A661	K587-E657 IonicContact NZ-OE1 2.68Å; K587-E657 PolarHBondContact NZ-OE1 3.13Å; K587-E657 IonicContact NZ-OE2 2.83Å; K587-E657 PolarHBondContact NZ-OE2 2.92Å; K587-E657 VanDerWaalsContact NZ-OE2 3.1Å; Y590-E657 HydrophobicContact CD1-CG 4.47Å; Y590-E657 HydrophobicContact CE1-CB 3.75Å; Y590-E657 HydrophobicContact CE1-CG 3.59Å; Y590-E657 HydrophobicContact CE2-CB 4.4Å; F616-E657 HydrophobicContact CZ-CB 4.12Å; T655-E657 HydrophobicContact CG2-CB 4.44Å; E657-I660 PolarHBondContact O-N 3.42Å; E657-A661 WeakPolarHBondContact O-CB 3.32Å; E657-A661 PolarHBondContact O-N 3.09Å
658	F	97.8	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-48.5	172	163.8	-92.7	0	0	0	111.5	F54 F616 L652 T655 E656 I660 A661 Y662 M670	F54-F658 HydrophobicContact CB-CE2 4.29Å; F54-F658 HydrophobicContact CB-CZ 3.93Å; F54-F658 HydrophobicContact CD1-CE2 4.01Å; F54-F658 AromaticContact CD2-CE2 3.41Å; F54-F658 HydrophobicContact CD2-CE2 3.41Å; F54-F658 VanDerWaalsContact CD2-CE2 3.41Å; F54-F658 AromaticContact CD2-CZ 3.52Å; F54-F658 HydrophobicContact CD2-CZ 3.52Å; F54-F658 HydrophobicContact CE1-CE2 4.14Å; F54-F658 AromaticContact CE2-CE2 3.62Å; F54-F658 HydrophobicContact CE2-CE2 3.62Å; F54-F658 HydrophobicContact CE2-CZ 4.15Å; F54-F658 AromaticContact CG-CE2 3.61Å; F54-F658 HydrophobicContact CG-CE2 3.61Å; F54-F658 AromaticContact CG-CZ 3.72Å; F54-F658 HydrophobicContact CG-CZ 3.72Å; F54-F658 AromaticContact CZ-CE2 3.96Å; F54-F658 HydrophobicContact CZ-CE2 3.96Å; F616-F658 HydrophobicContact CB-CD2 3.88Å; F616-F658 HydrophobicContact CB-CE2 4.47Å; F616-F658 HydrophobicContact CD1-CB 4.12Å; F616-F658 HydrophobicContact CD1-CD2 4.27Å; F616-F658 HydrophobicContact CD2-CB 4.02Å; F616-F658 AromaticContact CD2-CD2 3.94Å; F616-F658 HydrophobicContact CD2-CD2 3.94Å; F616-F658 HydrophobicContact CD2-CG 4.49Å; F616-F658 HydrophobicContact CE1-CB 3.94Å; F616-F658 HydrophobicContact CE2-CB 3.86Å; F616-F658 HydrophobicContact CG-CB 4.17Å; F616-F658 AromaticContact CG-CD2 3.76Å; F616-F658 HydrophobicContact CG-CD2 3.76Å; F616-F658 HydrophobicContact CG-CG 4.47Å; F616-F658 HydrophobicContact CZ-CB 3.82Å; L652-F658 HydrophobicContact CB-CD1 4.14Å; L652-F658 HydrophobicContact CB-CD2 4.27Å; L652-F658 HydrophobicContact CB-CE1 4.44Å; L652-F658 HydrophobicContact CB-CG 4.08Å; L652-F658 HydrophobicContact CD1-CD2 4.32Å; L652-F658 HydrophobicContact CD1-CE2 4.21Å; L652-F658 HydrophobicContact CD2-CB 4.17Å; L652-F658 HydrophobicContact CD2-CD2 3.76Å; L652-F658 HydrophobicContact CD2-CE2 4.45Å; L652-F658 HydrophobicContact CD2-CG 3.98Å; L652-F658 HydrophobicContact CG-CD2 4.35Å; L652-F658 WeakPolarHBondContact O-CD1 3.36Å; T655-F658 HydrophobicContact CG2-CB 4.08Å; T655-F658 WeakPolarHBondContact O-CB 3.43Å; T655-F658 PolarHBondContact O-N 2.83Å; E656-F658 PolarHBondContact O-N 2.89Å; F658-I660 PolarHBondContact O-N 3.18Å; F658-A661 PolarHBondContact O-N 2.89Å; F658-Y662 AromaticContact CD2-CD2 3.8Å; F658-Y662 HydrophobicContact CD2-CD2 3.8Å; F658-Y662 HydrophobicContact CD2-CE2 4.23Å; F658-Y662 AromaticContact CE2-CD2 3.49Å; F658-Y662 HydrophobicContact CE2-CD2 3.49Å; F658-Y662 VanDerWaalsContact CE2-CD2 3.49Å; F658-Y662 AromaticContact CE2-CE2 3.92Å; F658-Y662 HydrophobicContact CE2-CE2 3.92Å; F658-Y662 HydrophobicContact CE2-CG 4.18Å; F658-Y662 HydrophobicContact CZ-CD2 4.22Å; F658-Y662 HydrophobicContact CZ-CG 4.5Å; F658-Y662 PolarHBondContact O-N 2.93Å; F658-Y662 VanDerWaalsContact O-N 3.09Å; F658-M670 HydrophobicContact CE1-CB 3.83Å; F658-M670 HydrophobicContact CE1-CE 3.88Å; F658-M670 HydrophobicContact CZ-CB 4.42Å; F658-M670 HydrophobicContact CZ-CE 4.03Å
659	A	97.7	Very high	96	Very high	6 Å²	6	40.7 Å²	40.7	5%	0.05	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-35.2	179.7	0	0	0	0	0	111.6	T655 E656 N663 C664 N671	T655-A659 PolarHBondContact O-N 3.43Å; E656-A659 WeakPolarHBondContact O-CB 3.29Å; E656-A659 PolarHBondContact O-N 3.39Å; A659-N663 CarbonylContact O-C 3.54Å; A659-N663 VanDerWaalsContact O-CA 3.31Å; A659-N663 WeakPolarHBondContact O-CA 3.27Å; A659-N663 PolarHBondContact O-N 3.47Å; A659-C664 HydrophobicContact CB-CB 4.4Å; A659-C664 PolarHBondContact O-N 3.01Å; A659-N671 HydrophobicContact CB-CB 3.87Å
660	I	96.9	Very high	96.1	Very high	99 Å²	99	40.2 Å²	40.2	51%	0.508	23%	0.229	S	C	.	.	H	α-helix	trans	-67.7	-49.7	173.4	-65.5	168	0	0	0	110.8	L609 E656 E657 F658 Y662 N663	L609-I660 HydrophobicContact CD2-CG2 4.09Å; E656-I660 HydrophobicContact CG-CD1 4.13Å; E656-I660 WeakPolarHBondContact O-CG1 3.44Å; E656-I660 PolarHBondContact O-N 3Å; E657-I660 PolarHBondContact O-N 3.42Å; F658-I660 PolarHBondContact O-N 3.18Å; I660-Y662 VanDerWaalsContact C-N 3.27Å; I660-Y662 PolarHBondContact O-N 2.72Å; I660-N663 PolarHBondContact O-N 2.71Å; I660-N663 VanDerWaalsContact O-N 3.1Å
661	A	97	Very high	96.2	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-36.6	-176	0	0	0	0	0	113.3	D612 R613 F616 E657 F658	D612-A661 HydrophobicContact CB-CB 3.8Å; R613-A661 WeakPolarHBondContact CD-O 3.45Å; R613-A661 HydrophobicContact CG-CB 4.13Å; R613-A661 WeakPolarHBondContact CG-O 3.42Å; R613-A661 PolarHBondContact NH1-O 2.62Å; R613-A661 VanDerWaalsContact NH1-O 3.14Å; F616-A661 HydrophobicContact CD2-CB 4.15Å; F616-A661 HydrophobicContact CE2-CB 4.08Å; E657-A661 WeakPolarHBondContact O-CB 3.32Å; E657-A661 PolarHBondContact O-N 3.09Å; F658-A661 PolarHBondContact O-N 2.89Å
662	Y	97.3	Very high	96.2	Very high	29 Å²	29	41.4 Å²	41.4	11%	0.114	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	2.1	178.1	-78.6	-85.7	0	0	0	114.4	P50 F54 Y57 R613 F616 F658 I660 C664	P50-Y662 HydrophobicContact CB-CD1 3.72Å; P50-Y662 HydrophobicContact CB-CE1 4.2Å; P50-Y662 HydrophobicContact CB-CG 4.34Å; P50-Y662 HydrophobicContact CG-CD1 3.82Å; P50-Y662 HydrophobicContact CG-CE1 4.49Å; F54-Y662 HydrophobicContact CE2-CD1 4.02Å; F54-Y662 AromaticContact CE2-CD2 3.98Å; F54-Y662 HydrophobicContact CE2-CD2 3.98Å; F54-Y662 AromaticContact CE2-CE1 3.58Å; F54-Y662 HydrophobicContact CE2-CE1 3.58Å; F54-Y662 AromaticContact CE2-CE2 3.51Å; F54-Y662 HydrophobicContact CE2-CE2 3.51Å; F54-Y662 HydrophobicContact CE2-CG 4.21Å; F54-Y662 AromaticContact CE2-CZ 3.3Å; F54-Y662 HydrophobicContact CZ-CD2 4.43Å; F54-Y662 HydrophobicContact CZ-CE1 4.2Å; F54-Y662 AromaticContact CZ-CE2 3.61Å; F54-Y662 HydrophobicContact CZ-CE2 3.61Å; F54-Y662 AromaticContact CZ-CZ 3.48Å; F54-Y662 VanDerWaalsContact CZ-CZ 3.48Å; F54-Y662 WeakPolarHBondContact CZ-OH 3.31Å; Y57-Y662 HydrophobicContact CE1-CE1 4.16Å; R613-Y662 HydrophobicContact CB-CE1 4.47Å; R613-Y662 HydrophobicContact CB-CE2 3.99Å; R613-Y662 HydrophobicContact CG-CD1 4.35Å; R613-Y662 HydrophobicContact CG-CD2 4.07Å; R613-Y662 HydrophobicContact CG-CE1 4.07Å; R613-Y662 HydrophobicContact CG-CE2 3.77Å; R613-Y662 HydrophobicContact CG-CG 4.35Å; R613-Y662 PolarHBondContact O-OH 3.09Å; F616-Y662 HydrophobicContact CB-CE2 4.18Å; F658-Y662 AromaticContact CD2-CD2 3.8Å; F658-Y662 HydrophobicContact CD2-CD2 3.8Å; F658-Y662 HydrophobicContact CD2-CE2 4.23Å; F658-Y662 AromaticContact CE2-CD2 3.49Å; F658-Y662 HydrophobicContact CE2-CD2 3.49Å; F658-Y662 VanDerWaalsContact CE2-CD2 3.49Å; F658-Y662 AromaticContact CE2-CE2 3.92Å; F658-Y662 HydrophobicContact CE2-CE2 3.92Å; F658-Y662 HydrophobicContact CE2-CG 4.18Å; F658-Y662 HydrophobicContact CZ-CD2 4.22Å; F658-Y662 HydrophobicContact CZ-CG 4.5Å; F658-Y662 PolarHBondContact O-N 2.93Å; F658-Y662 VanDerWaalsContact O-N 3.09Å; I660-Y662 VanDerWaalsContact C-N 3.27Å; I660-Y662 PolarHBondContact O-N 2.72Å; Y662-C664 VanDerWaalsContact C-N 3.31Å; Y662-C664 PolarHBondContact O-N 3.02Å
663	N	96.9	Very high	96	Very high	143 Å²	143	48.5 Å²	48.5	77%	0.765	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	45.1	-179.1	-169	46.4	0	0	0	113.5	A659 I660	A659-N663 CarbonylContact O-C 3.54Å; A659-N663 VanDerWaalsContact O-CA 3.31Å; A659-N663 WeakPolarHBondContact O-CA 3.27Å; A659-N663 PolarHBondContact O-N 3.47Å; I660-N663 PolarHBondContact O-N 2.71Å; I660-N663 VanDerWaalsContact O-N 3.1Å
664	C	98.1	Very high	95.8	Very high	8 Å²	8	55 Å²	55	5%	0.054	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-76.8	129.1	-179.3	-65.2	0	0	0	0	111.5	C51 A659 Y662 N671	C51-C664 WeakPolarHBondContact CA-SG 3.29Å; C51-C664 HydrophobicContact CB-CB 3.63Å; C51-C664 WeakPolarHBondContact CB-SG 3.29Å; C51-C664 WeakPolarHBondContact SG-CA 3.45Å; C51-C664 WeakPolarHBondContact SG-CB 3.38Å; C51-C664 CovalentContact SG-SG 2.05Å; C51-C664 PolarHBondContact SG-SG 3.12Å; A659-C664 HydrophobicContact CB-CB 4.4Å; A659-C664 PolarHBondContact O-N 3.01Å; Y662-C664 VanDerWaalsContact C-N 3.31Å; Y662-C664 PolarHBondContact O-N 3.02Å; C664-N671 HydrophobicContact CB-CB 3.83Å; C664-N671 PolarHBondContact O-ND2 3.07Å
665	P	97.8	Very high	95.7	Very high	85 Å²	85	57.4 Å²	57.4	55%	0.552	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-68.5	142.9	-178.3	26.4	-32	0	0	0	111	G667 S668	P665-G667 PolarHBondContact O-N 2.73Å; P665-S668 VanDerWaalsContact O-CB 3.3Å; P665-S668 WeakPolarHBondContact O-CB 2.94Å; P665-S668 PolarHBondContact O-N 3Å; P665-S668 PolarHBondContact O-OG 2.83Å
666	I	97.2	Very high	95.3	Very high	131 Å²	131	57.2 Å²	57.2	67%	0.672	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	130.4	176.2	-63.6	173.1	0	0	0	109.3	L673	I666-L673 HydrophobicContact CG2-CD2 3.39Å; I666-L673 HydrophobicContact CG2-CG 4.22Å
667	G	95.5	Very high	94.6	Very high	50 Å²	50	58.6 Å²	58.6	52%	0.515	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-12.4	-176.6	0	0	0	0	0	114.4	P665 N671	P665-G667 PolarHBondContact O-N 2.73Å; G667-N671 PolarHBondContact N-O 3.47Å
668	S	96	Very high	93.6	Very high	13 Å²	13	56.6 Å²	56.6	9%	0.091	30%	0.304	C	S	.	.	S	Bend	trans	-62.8	157	168.7	60.1	0	0	0	0	111.3	P665 M670 N671	P665-S668 VanDerWaalsContact O-CB 3.3Å; P665-S668 WeakPolarHBondContact O-CB 2.94Å; P665-S668 PolarHBondContact O-N 3Å; P665-S668 PolarHBondContact O-OG 2.83Å; S668-M670 PolarHBondContact O-N 3.24Å; S668-M670 VanDerWaalsContact O-N 3.15Å; S668-N671 CarbonylContact O-C 3.15Å; S668-N671 PolarHBondContact O-N 3.01Å; S668-N671 WeakPolarHBondContact OG-CB 3.44Å; S668-N671 PolarHBondContact OG-N 3.39Å
669	P	93.9	Very high	92.4	Very high	62 Å²	62	57.5 Å²	57.5	40%	0.403	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.2	-179.3	-28.8	36.4	0	0	0	114.3	E52	E52-P669 WeakPolarHBondContact O-CB 3.48Å; E52-P669 WeakPolarHBondContact OE1-CD 3.49Å; E52-P669 WeakPolarHBondContact OE2-CG 3.32Å
670	M	96	Very high	92.1	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.025	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.7	179	-59.4	-66.1	-50.7	0	0	114	P50 C51 F54 I649 L652 F658 S668	P50-M670 WeakPolarHBondContact O-CG 3.39Å; C51-M670 VanDerWaalsContact O-CB 3.23Å; C51-M670 WeakPolarHBondContact O-CB 3.07Å; C51-M670 VanDerWaalsContact O-CG 3.24Å; C51-M670 WeakPolarHBondContact O-CG 3.16Å; C51-M670 PolarHBondContact O-N 2.61Å; F54-M670 HydrophobicContact CB-CE 3.59Å; F54-M670 HydrophobicContact CB-CG 4.49Å; F54-M670 HydrophobicContact CB-SD 4.19Å; I649-M670 HydrophobicContact CB-CE 4.3Å; I649-M670 HydrophobicContact CB-SD 3.86Å; I649-M670 HydrophobicContact CG2-CE 4.45Å; I649-M670 HydrophobicContact CG2-SD 3.93Å; L652-M670 HydrophobicContact CB-CE 3.62Å; F658-M670 HydrophobicContact CE1-CB 3.83Å; F658-M670 HydrophobicContact CE1-CE 3.88Å; F658-M670 HydrophobicContact CZ-CB 4.42Å; F658-M670 HydrophobicContact CZ-CE 4.03Å; S668-M670 PolarHBondContact O-N 3.24Å; S668-M670 VanDerWaalsContact O-N 3.15Å
671	N	96.6	Very high	91.9	Very high	12 Å²	12	58 Å²	58	6%	0.064	31%	0.31	C	S	.	.	S	Bend	trans	-135.9	64.8	169.9	-173.3	14.5	0	0	0	111	A659 C664 G667 S668 K675	A659-N671 HydrophobicContact CB-CB 3.87Å; C664-N671 HydrophobicContact CB-CB 3.83Å; C664-N671 PolarHBondContact O-ND2 3.07Å; G667-N671 PolarHBondContact N-O 3.47Å; S668-N671 CarbonylContact O-C 3.15Å; S668-N671 PolarHBondContact O-N 3.01Å; S668-N671 WeakPolarHBondContact OG-CB 3.44Å; S668-N671 PolarHBondContact OG-N 3.39Å; N671-K675 WeakPolarHBondContact OD1-CE 3.43Å; N671-K675 PolarHBondContact OD1-NZ 3.1Å
672	P	94	Very high	91.6	Very high	15 Å²	15	61.1 Å²	61.1	10%	0.097	33%	0.327	C	S	.	.			trans	-62.8	151.2	-178.6	27.6	-35.6	0	0	0	112.1	S653 K674 K675	S653-P672 VanDerWaalsContact O-CD 3.25Å; S653-P672 WeakPolarHBondContact O-CD 3.36Å; S653-P672 WeakPolarHBondContact O-CG 3.27Å; P672-K674 VanDerWaalsContact C-N 3.33Å; P672-K674 PolarHBondContact O-N 2.84Å; P672-K675 HydrophobicContact CG-CG 4.33Å; P672-K675 PolarHBondContact O-NZ 3.17Å
673	L	93.1	Very high	91.3	Very high	149 Å²	149	63 Å²	63	78%	0.78	34%	0.339	S	S	*	.	S	Bend	trans	-56.8	-44.9	177.7	-76.2	165.3	0	0	0	112.4	I666	I666-L673 HydrophobicContact CG2-CD2 3.39Å; I666-L673 HydrophobicContact CG2-CG 4.22Å
674	K	91.2	Very high	90.9	Very high	143 Å²	143	58 Å²	58	62%	0.622	31%	0.312	S	S	*	.	S	Bend	trans	-99.7	122.7	174.7	-172.8	177.4	-179.1	-179.4	0	107.9	H559 P672	H559-K674 PolarHBondContact CE1-O 2.9Å; H559-K674 PolarHBondContact NE2-O 2.81Å; P672-K674 VanDerWaalsContact C-N 3.33Å; P672-K674 PolarHBondContact O-N 2.84Å
675	K	91.2	Very high	90.4	Very high	65 Å²	65	61.3 Å²	61.3	28%	0.283	33%	0.33	S	S	.	.			trans	-112.9	155.3	169.6	-63.7	-171.4	-172.6	70.2	0	110	N671 P672	N671-K675 WeakPolarHBondContact OD1-CE 3.43Å; N671-K675 PolarHBondContact OD1-NZ 3.1Å; P672-K675 HydrophobicContact CG-CG 4.33Å; P672-K675 PolarHBondContact O-NZ 3.17Å
676	C	87.1	Confident	89.9	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.047	31%	0.314	C	S	.	.			trans	-106.1	115.2	173.4	-57.8	0	0	0	0	109	C555 L556 N654	C555-C676 VanDerWaalsContact CA-SG 3.59Å; C555-C676 HydrophobicContact CB-CB 3.75Å; C555-C676 WeakPolarHBondContact CB-SG 3.39Å; C555-C676 PolarHBondContact O-SG 3.36Å; C555-C676 VanDerWaalsContact SG-CA 3.57Å; C555-C676 WeakPolarHBondContact SG-CB 3.46Å; C555-C676 CovalentContact SG-SG 2.03Å; C555-C676 PolarHBondContact SG-SG 3.22Å; L556-C676 HydrophobicContact CD2-CB 3.5Å; L556-C676 VanDerWaalsContact CD2-CB 3.5Å; L556-C676 HydrophobicContact CG-CB 3.77Å; L556-C676 PolarHBondContact N-SG 3.06Å; L556-C676 VanDerWaalsContact N-SG 3.43Å; N654-C676 PolarHBondContact OD1-N 2.98Å
677	K	79.1	Confident	89.3	Confident	153 Å²	153	54.2 Å²	54.2	67%	0.665	29%	0.286	S	S	*	.			trans	-98	119.4	177.2	-172.3	176	179.1	179.2	0	109.9	W679	K677-W679 WeakPolarHBondContact CE-O 3.5Å
678	L	75.3	Confident	88.8	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.058	27%	0.267	C	S	.	.			trans	-90	-50	174.7	-69.9	177	0	0	0	112.4	W419 Q552 L556 L580 N583	W419-L678 PolarHBondContact NE1-O 3.27Å; Q552-L678 HydrophobicContact CB-CD2 3.66Å; Q552-L678 HydrophobicContact CG-CD2 4.38Å; L556-L678 HydrophobicContact CD1-CD1 3.55Å; L556-L678 HydrophobicContact CD1-CD2 3.81Å; L556-L678 HydrophobicContact CD1-CG 3.72Å; L580-L678 HydrophobicContact CD1-CD1 3.66Å; L580-L678 HydrophobicContact CD1-CD2 3.56Å; L580-L678 HydrophobicContact CD1-CG 4.22Å; L580-L678 HydrophobicContact CG-CD1 4.43Å; N583-L678 HydrophobicContact CB-CD1 3.51Å
679	W	72.5	Confident	88.2	Confident	19 Å²	19	58.3 Å²	58.3	7%	0.072	28%	0.283	C	S	.	.			trans	-125.2	0	-172.4	-56.4	95.2	0	0	0	110.7	V414 V417 W419 M520 I523 G584 K587 K677	V414-W679 HydrophobicContact CB-CZ3 4.25Å; V414-W679 HydrophobicContact CG2-CE3 4.28Å; V414-W679 HydrophobicContact CG2-CH2 3.99Å; V414-W679 HydrophobicContact CG2-CZ3 3.42Å; V414-W679 VanDerWaalsContact CG2-CZ3 3.42Å; V417-W679 HydrophobicContact CG1-CE3 3.76Å; V417-W679 HydrophobicContact CG1-CZ3 4.18Å; W419-W679 HydrophobicContact CH2-CH2 4.39Å; W419-W679 HydrophobicContact CZ2-CH2 4.13Å; W419-W679 HydrophobicContact CZ2-CZ2 4.31Å; W419-W679 HydrophobicContact CZ2-CZ3 4.3Å; M520-W679 HydrophobicContact SD-CZ2 3.95Å; I523-W679 HydrophobicContact CD1-CH2 3.37Å; I523-W679 HydrophobicContact CD1-CZ2 3.6Å; I523-W679 HydrophobicContact CD1-CZ3 4.35Å; I523-W679 HydrophobicContact CG1-CH2 4.35Å; I523-W679 HydrophobicContact CG1-CZ2 4.29Å; G584-W679 VanDerWaalsContact CA-CD1 3.41Å; K587-W679 HydrophobicContact CG-CB 4Å; K677-W679 WeakPolarHBondContact CE-O 3.5Å

Retrieved 679 of 679 residues in 186.5 ms (Link to these results)

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