A0A5K4F4B3_SCHMA Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4F4B3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 622 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	27.7	Very low	30.5	Very low	235 Å²	235	143.5 Å²	143.5	100%	1.158	83%	0.825	S	S	*	*				0	122.1	0	-69.4	172.1	84.7	0	0	107.4
2	S	30.9	Very low	30	Very low	99 Å²	99	141.2 Å²	141.2	69%	0.692	82%	0.815	S	S	*	*			trans	36.7	112.1	155.7	54.8	0	0	0	0	121.2
3	N	31.2	Very low	29.9	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	82%	0.817	S	S	*	*				77.8	108.9	117.7	-58.7	-13.1	0	0	0	121.5
4	N	30.7	Very low	29.4	Very low	156 Å²	156	148.1 Å²	148.1	83%	0.834	82%	0.821	S	S	*	*			trans	24.5	144.6	132.2	-86.9	4.9	0	0	0	121
5	P	34.5	Very low	29.3	Very low	99 Å²	99	146.9 Å²	146.9	64%	0.643	82%	0.819	S	S	*	*			trans	-132.4	163.6	143.6	44	-30.1	0	0	0	113.5
6	D	35.7	Very low	28.9	Very low	161 Å²	161	146.9 Å²	146.9	86%	0.861	82%	0.817	S	S	*	*			trans	74.5	136.1	149.3	-49	-29.9	0	0	0	119.8
7	G	34.6	Very low	29.1	Very low	75 Å²	75	147.9 Å²	147.9	77%	0.773	82%	0.821	S	S	*	*			cis	140.1	123.4	16.2	0	0	0	0	0	107.7
8	C	21.9	Very low	28.9	Very low	132 Å²	132	148.2 Å²	148.2	89%	0.892	82%	0.819	S	S	*	*			trans	-74.5	144.3	-170.8	-159.5	0	0	0	0	112.5
9	S	30.8	Very low	28.5	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	82%	0.817	S	S	*	*			trans	-165.3	135.3	146.3	62.2	0	0	0	0	113.9
10	E	26.7	Very low	28.6	Very low	165 Å²	165	150.1 Å²	150.1	77%	0.771	82%	0.815	S	S	*	*			trans	-54.9	155.3	176.7	-56.3	159.2	146.9	0	0	115.5
11	K	31.2	Very low	28.6	Very low	185 Å²	185	148.4 Å²	148.4	80%	0.804	81%	0.806	S	S	*	*				168.7	135.7	109.6	-89.3	164.7	-172	178	0	113.3
12	T	23.5	Very low	28.4	Very low	115 Å²	115	142.3 Å²	142.3	71%	0.706	79%	0.786	S	S	*	*			trans	-17.4	143.1	157.3	53.4	0	0	0	0	118.8
13	N	28.9	Very low	28.2	Very low	158 Å²	158	144.9 Å²	144.9	85%	0.845	79%	0.791	S	S	*	*				179.6	137.3	114.3	-85.2	-18.5	0	0	0	113.6
14	Y	23.8	Very low	27.9	Very low	222 Å²	222	147 Å²	147	87%	0.871	79%	0.793	S	S	*	*			trans	-61.2	149.1	166.4	-88	-109.4	0	0	0	111.6
15	T	27.7	Very low	27.7	Very low	129 Å²	129	142.8 Å²	142.8	79%	0.791	79%	0.787	S	S	*	*				163.7	141.8	109.8	44.9	0	0	0	0	112
16	N	23.2	Very low	27.4	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	80%	0.795	S	S	*	*			trans	-15.6	137	162.3	-58.2	-41.9	0	0	0	117.3
17	D	31.1	Very low	26.8	Very low	165 Å²	165	149 Å²	149	88%	0.882	80%	0.796	S	S	*	*				-157.9	137.5	127.2	-100.6	-27.6	0	0	0	113.6
18	L	25.3	Very low	26.7	Very low	152 Å²	152	150.3 Å²	150.3	80%	0.796	79%	0.791	S	S	*	*			trans	-67.1	165.4	175	-85.5	138.9	0	0	0	111.9
19	F	22.7	Very low	26.9	Very low	175 Å²	175	150.4 Å²	150.4	77%	0.768	79%	0.787	S	S	*	*			trans	77.4	106.1	147.2	-115.8	-104	0	0	0	117.2
20	M	30.7	Very low	26.9	Very low	159 Å²	159	150.5 Å²	150.5	78%	0.783	79%	0.785	S	S	*	*				-176.8	106.3	129.6	-89.9	-41.4	-161.5	0	0	110.7
21	N	27.6	Very low	26.9	Very low	116 Å²	116	150.8 Å²	150.8	62%	0.62	79%	0.791	S	S	*	*				49	107.2	124.6	-62.1	-26.4	0	0	0	118.7
22	S	23.9	Very low	26.8	Very low	107 Å²	107	149.6 Å²	149.6	75%	0.748	79%	0.792	S	S	*	*				60.6	102.5	86.3	-65.1	0	0	0	0	113.8
23	L	26.6	Very low	27	Very low	153 Å²	153	149.7 Å²	149.7	80%	0.801	79%	0.792	S	S	*	*			trans	178.9	99.8	142.7	-93.1	168.3	0	0	0	109.7
24	K	25.8	Very low	26.9	Very low	201 Å²	201	145.1 Å²	145.1	87%	0.874	77%	0.771	S	S	*	*				51.7	116.7	116.9	-65.9	-177.9	-177.6	174.6	0	117.3
25	G	25.5	Very low	27	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	75%	0.749	S	S	*	*			trans	136.5	106.7	135.5	0	0	0	0	0	119.1
26	I	28.7	Very low	27	Very low	162 Å²	162	136.4 Å²	136.4	83%	0.831	74%	0.744	S	S	*	*			trans	74.3	100.7	133.1	-50.9	160.9	0	0	0	119.8
27	W	23	Very low	27.5	Very low	228 Å²	228	137.3 Å²	137.3	86%	0.864	74%	0.736	S	S	*	*			trans	24.9	165.8	145.5	-65	77.1	0	0	0	123.3
28	P	32.3	Very low	27.5	Very low	103 Å²	103	131.4 Å²	131.4	67%	0.669	71%	0.706	S	S	*	*			cis	-136	177.5	-31.8	33.1	-11.2	0	0	0	116.3
29	T	27.1	Very low	27.7	Very low	134 Å²	134	128.8 Å²	128.8	82%	0.822	69%	0.692	S	S	*	*			trans	-16.2	144.8	173.7	50.6	0	0	0	0	121.2
30	P	29.1	Very low	28.1	Very low	118 Å²	118	125.8 Å²	125.8	77%	0.766	68%	0.684	S	S	*	*			trans	-119.6	148.4	145.7	35	-22	0	0	0	113.8	I32	P30-I32 PolarHBondContact O-N 3.41Å
31	L	26.8	Very low	28.1	Very low	170 Å²	170	125.7 Å²	125.7	89%	0.89	68%	0.675	S	S	*	*			trans	-51.7	126.3	173.5	-70.5	123.8	0	0	0	112.3	V33	L31-V33 PolarHBondContact O-N 3.37Å
32	I	30.1	Very low	28.3	Very low	160 Å²	160	123 Å²	123	82%	0.821	66%	0.659	S	S	*	*			trans	-88.7	99.7	170.5	-60.9	171.9	0	0	0	108	P30	P30-I32 PolarHBondContact O-N 3.41Å
33	V	27.6	Very low	28.5	Very low	117 Å²	117	122.8 Å²	122.8	71%	0.709	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-70.5	127.8	162.5	178.8	0	0	0	0	107.4	L31	L31-V33 PolarHBondContact O-N 3.37Å
34	P	26.1	Very low	28.8	Very low	63 Å²	63	121 Å²	121	41%	0.409	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-61.7	141.6	178	-18.7	29.7	0	0	0	111	V38	P34-V38 HydrophobicContact CB-CB 3.99Å; P34-V38 HydrophobicContact CB-CG1 4.02Å; P34-V38 HydrophobicContact CB-CG2 4.42Å
35	P	26.4	Very low	29	Very low	63 Å²	63	115.7 Å²	115.7	41%	0.409	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-52.4	144.6	174.5	-28	35.2	0	0	0	112.5	W37 V38	P35-W37 HydrophobicContact CB-CG 4.43Å; P35-W37 VanDerWaalsContact CB-NE1 3.29Å; P35-W37 PolarHBondContact O-N 2.76Å; P35-V38 HydrophobicContact CB-CG2 4.48Å; P35-V38 WeakPolarHBondContact O-CB 3.26Å; P35-V38 PolarHBondContact O-N 3.32Å
36	P	28.2	Very low	29.5	Very low	104 Å²	104	117.7 Å²	117.7	68%	0.675	60%	0.601	S	S	*	*	H	α-helix	trans	-51.7	-28.3	-175.5	-30.7	35.4	0	0	0	116.3	V38 L39 L40	P36-V38 VanDerWaalsContact C-N 3.32Å; P36-V38 PolarHBondContact O-N 3.48Å; P36-L39 PolarHBondContact O-N 3.27Å; P36-L40 PolarHBondContact O-N 3.45Å
37	W	32.4	Very low	29.7	Very low	166 Å²	166	112 Å²	112	63%	0.629	58%	0.575	S	S	*	*	H	α-helix	trans	-70.9	-24.5	176.5	65.3	-93.9	0	0	0	113.6	P35 L40 R41	P35-W37 HydrophobicContact CB-CG 4.43Å; P35-W37 VanDerWaalsContact CB-NE1 3.29Å; P35-W37 PolarHBondContact O-N 2.76Å; W37-L40 PolarHBondContact O-N 3.39Å; W37-R41 PolarHBondContact O-N 3.49Å
38	V	31.1	Very low	30.2	Very low	42 Å²	42	105.4 Å²	105.4	26%	0.255	56%	0.557	S	S	.	*	H	α-helix	trans	-69.4	-39.1	172.2	-178.7	0	0	0	0	110	P34 P35 P36 R41 I42	P34-V38 HydrophobicContact CB-CB 3.99Å; P34-V38 HydrophobicContact CB-CG1 4.02Å; P34-V38 HydrophobicContact CB-CG2 4.42Å; P35-V38 HydrophobicContact CB-CG2 4.48Å; P35-V38 WeakPolarHBondContact O-CB 3.26Å; P35-V38 PolarHBondContact O-N 3.32Å; P36-V38 VanDerWaalsContact C-N 3.32Å; P36-V38 PolarHBondContact O-N 3.48Å; V38-R41 PolarHBondContact O-N 3.45Å; V38-I42 HydrophobicContact CG1-CD1 4.16Å; V38-I42 WeakPolarHBondContact O-CD1 3.39Å; V38-I42 VanDerWaalsContact O-CG1 3.24Å; V38-I42 WeakPolarHBondContact O-CG1 3.41Å; V38-I42 PolarHBondContact O-N 3.11Å; V38-I42 VanDerWaalsContact O-N 3.13Å
39	L	30.2	Very low	30.3	Very low	96 Å²	96	104.7 Å²	104.7	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-37.6	173.4	-66.3	173.7	0	0	0	111.6	P36 I42 F43	P36-L39 PolarHBondContact O-N 3.27Å; L39-I42 PolarHBondContact O-N 3.25Å; L39-F43 WeakPolarHBondContact O-CB 3.2Å; L39-F43 PolarHBondContact O-N 3.09Å
40	L	30.4	Very low	30.7	Very low	113 Å²	113	100.5 Å²	100.5	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-64	-41.8	175.9	-134.1	98.3	0	0	0	112.4	P36 W37 F43 Q44	P36-L40 PolarHBondContact O-N 3.45Å; W37-L40 PolarHBondContact O-N 3.39Å; L40-F43 WeakPolarHBondContact O-CB 3.36Å; L40-F43 PolarHBondContact O-N 2.99Å; L40-Q44 PolarHBondContact O-N 3.1Å
41	R	32.2	Very low	31	Very low	157 Å²	157	97.9 Å²	97.9	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-61.9	-44.2	172.9	-90.3	-157.4	-165.4	-164.1	5.7	112.3	W37 V38 F43 Q44 E45	W37-R41 PolarHBondContact O-N 3.49Å; V38-R41 PolarHBondContact O-N 3.45Å; R41-F43 PolarHBondContact O-N 2.82Å; R41-Q44 PolarHBondContact O-N 3.25Å; R41-E45 WeakPolarHBondContact O-CB 3.49Å; R41-E45 WeakPolarHBondContact O-CG 3.21Å; R41-E45 PolarHBondContact O-N 3.49Å
42	I	30.9	Very low	31.4	Very low	58 Å²	58	95 Å²	95	30%	0.297	48%	0.484	S	S	.	.	H	α-helix	trans	-62.1	-34.9	176.5	-66.3	163.9	0	0	0	110.5	V38 L39 K46	V38-I42 HydrophobicContact CG1-CD1 4.16Å; V38-I42 WeakPolarHBondContact O-CD1 3.39Å; V38-I42 VanDerWaalsContact O-CG1 3.24Å; V38-I42 WeakPolarHBondContact O-CG1 3.41Å; V38-I42 PolarHBondContact O-N 3.11Å; V38-I42 VanDerWaalsContact O-N 3.13Å; L39-I42 PolarHBondContact O-N 3.25Å; I42-K46 HydrophobicContact CG2-CD 4.49Å; I42-K46 WeakPolarHBondContact O-CB 3.35Å; I42-K46 WeakPolarHBondContact O-CG 3.4Å; I42-K46 PolarHBondContact O-N 3.42Å; I42-K46 VanDerWaalsContact O-N 3.12Å
43	F	28.7	Very low	31.5	Very low	104 Å²	104	88.5 Å²	88.5	46%	0.456	45%	0.451	S	S	.	.	H	α-helix	trans	-69.9	-45.1	176.5	-143.4	-89.3	0	0	0	112.1	L39 L40 R41 K46 S47	L39-F43 WeakPolarHBondContact O-CB 3.2Å; L39-F43 PolarHBondContact O-N 3.09Å; L40-F43 WeakPolarHBondContact O-CB 3.36Å; L40-F43 PolarHBondContact O-N 2.99Å; R41-F43 PolarHBondContact O-N 2.82Å; F43-K46 PolarHBondContact O-N 3.21Å; F43-S47 PolarHBondContact O-N 3Å
44	Q	31.7	Very low	31.9	Very low	115 Å²	115	85 Å²	85	54%	0.537	43%	0.426	S	S	.	.	H	α-helix	trans	-63.6	-41.9	175.2	-78.2	177.4	-29.3	0	0	112.4	L40 R41 K46 S47 N48	L40-Q44 PolarHBondContact O-N 3.1Å; R41-Q44 PolarHBondContact O-N 3.25Å; Q44-K46 VanDerWaalsContact C-N 3.33Å; Q44-K46 PolarHBondContact O-N 3.32Å; Q44-S47 WeakPolarHBondContact O-CB 3.2Å; Q44-S47 PolarHBondContact O-N 2.98Å; Q44-N48 VanDerWaalsContact O-CG 3.24Å; Q44-N48 PolarHBondContact O-N 3.25Å; Q44-N48 PolarHBondContact O-ND2 3.38Å
45	E	31.4	Very low	32.3	Very low	90 Å²	90	87.5 Å²	87.5	42%	0.421	44%	0.436	S	S	.	.	H	α-helix	trans	-65.6	-35.1	176.4	-77.5	178.2	165.5	0	0	112.1	R41 N49	R41-E45 WeakPolarHBondContact O-CB 3.49Å; R41-E45 WeakPolarHBondContact O-CG 3.21Å; R41-E45 PolarHBondContact O-N 3.49Å; E45-N49 PolarHBondContact O-N 3.43Å; E45-N49 VanDerWaalsContact O-N 3.16Å; E45-N49 PolarHBondContact O-ND2 3.15Å
46	K	34.6	Very low	32.6	Very low	108 Å²	108	88.1 Å²	88.1	47%	0.47	44%	0.436	S	S	.	.	H	α-helix	trans	-67.7	-39.3	173.1	-78.9	178.8	-179.4	179.9	0	112.7	I42 F43 Q44 N49 L50	I42-K46 HydrophobicContact CG2-CD 4.49Å; I42-K46 WeakPolarHBondContact O-CB 3.35Å; I42-K46 WeakPolarHBondContact O-CG 3.4Å; I42-K46 PolarHBondContact O-N 3.42Å; I42-K46 VanDerWaalsContact O-N 3.12Å; F43-K46 PolarHBondContact O-N 3.21Å; Q44-K46 VanDerWaalsContact C-N 3.33Å; Q44-K46 PolarHBondContact O-N 3.32Å; K46-N49 PolarHBondContact O-N 3.19Å; K46-L50 PolarHBondContact O-N 2.93Å
47	S	34.5	Very low	32.9	Very low	42 Å²	42	89.8 Å²	89.8	29%	0.294	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-48.4	173.2	173.6	0	0	0	0	111.6	F43 Q44 N49 L50 D51	F43-S47 PolarHBondContact O-N 3Å; Q44-S47 WeakPolarHBondContact O-CB 3.2Å; Q44-S47 PolarHBondContact O-N 2.98Å; S47-N49 VanDerWaalsContact C-N 3.27Å; S47-N49 PolarHBondContact O-N 2.87Å; S47-L50 WeakPolarHBondContact O-CA 3.35Å; S47-L50 WeakPolarHBondContact O-CB 3.38Å; S47-L50 PolarHBondContact O-N 3.48Å; S47-D51 PolarHBondContact O-N 3.08Å
48	N	33.2	Very low	33.2	Very low	91 Å²	91	90.4 Å²	90.4	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-62.6	-35	-179.5	-67.6	-14.6	0	0	0	112.3	Q44 L50 D51 I52	Q44-N48 VanDerWaalsContact O-CG 3.24Å; Q44-N48 PolarHBondContact O-N 3.25Å; Q44-N48 PolarHBondContact O-ND2 3.38Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 3.35Å; N48-D51 PolarHBondContact O-N 3.04Å; N48-I52 WeakPolarHBondContact O-CD1 3.34Å; N48-I52 VanDerWaalsContact O-CG1 3.22Å; N48-I52 WeakPolarHBondContact O-CG1 3.47Å; N48-I52 PolarHBondContact O-N 3.49Å; N48-I52 VanDerWaalsContact O-N 3.08Å
49	N	33.6	Very low	33.3	Very low	87 Å²	87	91.2 Å²	91.2	47%	0.465	45%	0.449	S	S	.	.	H	α-helix	trans	-69.5	-27.2	174.8	-78.1	-56.2	0	0	0	113.4	E45 K46 S47	E45-N49 PolarHBondContact O-N 3.43Å; E45-N49 VanDerWaalsContact O-N 3.16Å; E45-N49 PolarHBondContact O-ND2 3.15Å; K46-N49 PolarHBondContact O-N 3.19Å; S47-N49 VanDerWaalsContact C-N 3.27Å; S47-N49 PolarHBondContact O-N 2.87Å
50	L	36.2	Very low	33.5	Very low	46 Å²	46	90.6 Å²	90.6	24%	0.241	44%	0.443	C	S	.	.	H	α-helix	trans	-75	-44.2	172.1	-75.2	159.1	0	0	0	110.5	K46 S47 N48 I52 L53 F54 V108 I132	K46-L50 PolarHBondContact O-N 2.93Å; S47-L50 WeakPolarHBondContact O-CA 3.35Å; S47-L50 WeakPolarHBondContact O-CB 3.38Å; S47-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 3.35Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 3.21Å; L50-L53 WeakPolarHBondContact O-CB 3.48Å; L50-L53 PolarHBondContact O-N 3.23Å; L50-F54 HydrophobicContact CD2-CE2 4.05Å; L50-F54 WeakPolarHBondContact O-CD2 3.45Å; L50-F54 PolarHBondContact O-N 3.41Å; L50-F54 VanDerWaalsContact O-N 3.09Å; L50-V108 HydrophobicContact CD2-CG1 4.34Å; L50-I132 HydrophobicContact CD2-CD1 4.19Å
51	D	35.8	Very low	33.7	Very low	63 Å²	63	92.2 Å²	92.2	34%	0.337	45%	0.448	S	S	.	.	H	α-helix	trans	-58.2	-37.8	175.7	-70.4	-25.6	0	0	0	111.5	S47 N48 L53 F54 N55	S47-D51 PolarHBondContact O-N 3.08Å; N48-D51 PolarHBondContact O-N 3.04Å; D51-L53 VanDerWaalsContact C-N 3.29Å; D51-L53 PolarHBondContact O-N 3.29Å; D51-F54 PolarHBondContact O-N 3.18Å; D51-N55 VanDerWaalsContact O-CB 3.24Å; D51-N55 WeakPolarHBondContact O-CB 3.21Å; D51-N55 PolarHBondContact O-N 3.36Å; D51-N55 PolarHBondContact O-ND2 2.97Å
52	I	34.6	Very low	33.6	Very low	110 Å²	110	94 Å²	94	56%	0.564	45%	0.454	S	S	*	.	H	α-helix	trans	-63.9	-29.9	174.4	-68.7	163.7	0	0	0	113	N48 L50	N48-I52 WeakPolarHBondContact O-CD1 3.34Å; N48-I52 VanDerWaalsContact O-CG1 3.22Å; N48-I52 WeakPolarHBondContact O-CG1 3.47Å; N48-I52 PolarHBondContact O-N 3.49Å; N48-I52 VanDerWaalsContact O-N 3.08Å; L50-I52 VanDerWaalsContact C-N 3.26Å; L50-I52 PolarHBondContact O-N 3.21Å
53	L	32.9	Very low	33.6	Very low	24 Å²	24	93.4 Å²	93.4	13%	0.126	45%	0.452	C	S	.	.	H	α-helix	trans	-78.9	-37.6	178.2	-90.7	158.7	0	0	0	112.4	L50 D51 N56 K128 I132	L50-L53 WeakPolarHBondContact O-CB 3.48Å; L50-L53 PolarHBondContact O-N 3.23Å; D51-L53 VanDerWaalsContact C-N 3.29Å; D51-L53 PolarHBondContact O-N 3.29Å; L53-N56 PolarHBondContact O-ND2 3.12Å; L53-K128 HydrophobicContact CD1-CB 4.39Å; L53-K128 HydrophobicContact CD2-CB 3.79Å; L53-K128 HydrophobicContact CD2-CD 3.78Å; L53-K128 HydrophobicContact CD2-CG 4.37Å; L53-I132 HydrophobicContact CD1-CD1 3.19Å; L53-I132 HydrophobicContact CD1-CG1 4.46Å
54	F	34.6	Very low	33.8	Very low	42 Å²	42	92.8 Å²	92.8	18%	0.184	46%	0.46	C	S	.	.	H	α-helix	trans	-86.3	-23.1	-177.1	-69.2	-72	0	0	0	113.3	L50 D51 N56 H60 L63	L50-F54 HydrophobicContact CD2-CE2 4.05Å; L50-F54 WeakPolarHBondContact O-CD2 3.45Å; L50-F54 PolarHBondContact O-N 3.41Å; L50-F54 VanDerWaalsContact O-N 3.09Å; D51-F54 PolarHBondContact O-N 3.18Å; F54-N56 PolarHBondContact O-N 3.09Å; F54-H60 PolarHBondContact O-CD2 3.19Å; F54-L63 HydrophobicContact CD1-CD1 4.13Å; F54-L63 HydrophobicContact CE1-CD1 3.85Å
55	N	34.2	Very low	33.8	Very low	116 Å²	116	95.4 Å²	95.4	62%	0.62	47%	0.473	S	S	*	.			trans	-66.8	14.7	171.7	-76.9	-15	0	0	0	115.3	D51 D57	D51-N55 VanDerWaalsContact O-CB 3.24Å; D51-N55 WeakPolarHBondContact O-CB 3.21Å; D51-N55 PolarHBondContact O-N 3.36Å; D51-N55 PolarHBondContact O-ND2 2.97Å; N55-D57 PolarHBondContact O-N 2.9Å
56	N	34.5	Very low	33.8	Very low	76 Å²	76	98.6 Å²	98.6	41%	0.406	49%	0.487	S	S	.	.			trans	-85	106.6	163.2	-74.6	-72.6	0	0	0	107.6	L53 F54 K58 L59 H60	L53-N56 PolarHBondContact O-ND2 3.12Å; F54-N56 PolarHBondContact O-N 3.09Å; N56-K58 PolarHBondContact O-N 3.18Å; N56-L59 HydrophobicContact CB-CB 4.2Å; N56-L59 HydrophobicContact CB-CD1 4.04Å; N56-L59 HydrophobicContact CB-CG 4.43Å; N56-L59 PolarHBondContact O-N 2.69Å; N56-H60 PolarHBondContact O-N 3.15Å
57	D	34.4	Very low	33.6	Very low	139 Å²	139	96.8 Å²	96.8	74%	0.743	48%	0.483	S	S	*	.	H	α-helix	trans	-49.6	-31.7	-179	-62.2	-34.1	0	0	0	113.1	N55 L59 E61	N55-D57 PolarHBondContact O-N 2.9Å; D57-L59 VanDerWaalsContact C-N 3.35Å; D57-L59 PolarHBondContact O-N 3.37Å; D57-E61 PolarHBondContact O-N 3.3Å
58	K	37	Very low	33.5	Very low	179 Å²	179	104 Å²	104	78%	0.778	51%	0.511	S	S	*	.	H	α-helix	trans	-72.2	-16.9	176.1	-73.9	-178.8	176.8	175.8	0	115.9	N56	N56-K58 PolarHBondContact O-N 3.18Å
59	L	33.7	Very low	33.5	Very low	60 Å²	60	103 Å²	103	31%	0.314	51%	0.509	S	S	.	.	H	α-helix	trans	-96.8	-34.4	176.8	-86.1	166	0	0	0	111.3	N56 D57 R62 L63	N56-L59 HydrophobicContact CB-CB 4.2Å; N56-L59 HydrophobicContact CB-CD1 4.04Å; N56-L59 HydrophobicContact CB-CG 4.43Å; N56-L59 PolarHBondContact O-N 2.69Å; D57-L59 VanDerWaalsContact C-N 3.35Å; D57-L59 PolarHBondContact O-N 3.37Å; L59-R62 PolarHBondContact O-N 3.27Å; L59-L63 WeakPolarHBondContact O-CB 3.38Å; L59-L63 WeakPolarHBondContact O-CD1 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.03Å
60	H	34.3	Very low	33.3	Very low	83 Å²	83	102.8 Å²	102.8	38%	0.384	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-40.3	178.7	-122.9	-59.2	0	0	0	112.3	F54 N56 R62 L63 S64	F54-H60 PolarHBondContact O-CD2 3.19Å; N56-H60 PolarHBondContact O-N 3.15Å; H60-R62 VanDerWaalsContact C-N 3.28Å; H60-R62 PolarHBondContact O-N 3.1Å; H60-L63 PolarHBondContact O-N 3.39Å; H60-S64 PolarHBondContact O-N 3.27Å; H60-S64 PolarHBondContact O-OG 3.28Å
61	E	34.2	Very low	32.9	Very low	147 Å²	147	104.1 Å²	104.1	69%	0.687	52%	0.517	S	S	*	.	H	α-helix	trans	-68.2	-23.8	-179.6	-143.9	176.1	-157.6	0	0	113.5	D57 S64	D57-E61 PolarHBondContact O-N 3.3Å; E61-S64 PolarHBondContact O-OG 2.99Å
62	R	30.3	Very low	32.6	Very low	193 Å²	193	106.8 Å²	106.8	73%	0.728	53%	0.531	S	S	*	.	H	α-helix	trans	-100.1	-8.7	-178.7	-71.6	-176.5	172	166.4	1.2	114.2	L59 H60	L59-R62 PolarHBondContact O-N 3.27Å; H60-R62 VanDerWaalsContact C-N 3.28Å; H60-R62 PolarHBondContact O-N 3.1Å
63	L	31.1	Very low	32.3	Very low	47 Å²	47	105.8 Å²	105.8	25%	0.246	53%	0.525	C	S	.	.	H	α-helix	trans	-106.1	-16.1	179.9	-72.5	168.6	0	0	0	112.4	F54 L59 H60 E65	F54-L63 HydrophobicContact CD1-CD1 4.13Å; F54-L63 HydrophobicContact CE1-CD1 3.85Å; L59-L63 WeakPolarHBondContact O-CB 3.38Å; L59-L63 WeakPolarHBondContact O-CD1 3.32Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.03Å; H60-L63 PolarHBondContact O-N 3.39Å; L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 3.05Å
64	S	32.6	Very low	32.1	Very low	91 Å²	91	109.1 Å²	109.1	64%	0.636	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.5	175.9	54.7	0	0	0	0	114	H60 E61	H60-S64 PolarHBondContact O-N 3.27Å; H60-S64 PolarHBondContact O-OG 3.28Å; E61-S64 PolarHBondContact O-OG 2.99Å
65	E	33	Very low	31.9	Very low	170 Å²	170	112.8 Å²	112.8	79%	0.794	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-13.8	-177.5	-68.4	-177.2	159.8	0	0	113.7	L63	L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 3.05Å
66	E	29.7	Very low	31.7	Very low	156 Å²	156	111.7 Å²	111.7	73%	0.729	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	0.7	-166	-72.5	-170	160.5	0	0	117
67	N	30.7	Very low	31.5	Very low	70 Å²	70	114.6 Å²	114.6	37%	0.374	57%	0.568	S	S	.	*			trans	-147.2	100.5	-173.4	-79.7	-62.2	0	0	0	116.1	T69	N67-T69 PolarHBondContact O-N 3.03Å
68	H	33.8	Very low	31.3	Very low	193 Å²	193	114.8 Å²	114.8	89%	0.894	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-54.4	-1.5	164.4	-87.6	-80.2	0	0	0	115.2
69	T	31.5	Very low	30.9	Very low	70 Å²	70	109.9 Å²	109.9	43%	0.429	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-85.1	-10.8	-175.9	53.5	0	0	0	0	113.8	N67	N67-T69 PolarHBondContact O-N 3.03Å
70	F	29.7	Very low	30.7	Very low	84 Å²	84	114.1 Å²	114.1	37%	0.368	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-76.8	-18.1	178.8	-123.5	-90.4	0	0	0	114	L72 I73	F70-L72 VanDerWaalsContact C-N 3.34Å; F70-L72 PolarHBondContact O-N 3.09Å; F70-I73 PolarHBondContact O-N 3.25Å
71	S	28.7	Very low	30.7	Very low	74 Å²	74	120 Å²	120	52%	0.517	60%	0.603	S	S	.	*	H	α-helix	trans	-66	-34.1	-179.6	-160.2	0	0	0	0	112.7	I73 E75	S71-I73 VanDerWaalsContact C-N 3.32Å; S71-I73 PolarHBondContact O-N 3.37Å; S71-E75 PolarHBondContact O-N 3.13Å
72	L	29.1	Very low	30.6	Very low	118 Å²	118	121.1 Å²	121.1	62%	0.618	61%	0.608	S	S	*	*	H	α-helix	trans	-75.5	-18.5	-177.6	-70.6	164.2	0	0	0	113.5	F70	F70-L72 VanDerWaalsContact C-N 3.34Å; F70-L72 PolarHBondContact O-N 3.09Å
73	I	29.1	Very low	30.6	Very low	89 Å²	89	118.6 Å²	118.6	46%	0.456	61%	0.609	S	S	.	*	H	α-helix	trans	-83.1	-25.9	-179.5	-63.5	173.9	0	0	0	111.1	F70 S71	F70-I73 PolarHBondContact O-N 3.25Å; S71-I73 VanDerWaalsContact C-N 3.32Å; S71-I73 PolarHBondContact O-N 3.37Å
74	N	28.9	Very low	30.5	Very low	94 Å²	94	123.2 Å²	123.2	50%	0.503	64%	0.639	S	S	.	*	H	α-helix	trans	-84.3	-28	175.9	-80	-18.4	0	0	0	113.1	V76 K77	N74-V76 VanDerWaalsContact C-N 3.29Å; N74-V76 PolarHBondContact O-N 3.01Å; N74-K77 PolarHBondContact O-N 3.45Å
75	E	28.7	Very low	30.3	Very low	120 Å²	120	122.2 Å²	122.2	56%	0.561	64%	0.643	S	S	*	*	H	α-helix	trans	-68.3	-26.4	177.2	-73.7	177.9	178.1	0	0	113.1	S71	S71-E75 PolarHBondContact O-N 3.13Å
76	V	30.3	Very low	30.3	Very low	93 Å²	93	121.6 Å²	121.6	56%	0.564	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-17.4	178.6	179.9	0	0	0	0	112.7	N74 I78	N74-V76 VanDerWaalsContact C-N 3.29Å; N74-V76 PolarHBondContact O-N 3.01Å; V76-I78 VanDerWaalsContact C-N 3.26Å; V76-I78 PolarHBondContact O-N 3.39Å
77	K	31.2	Very low	30.3	Very low	137 Å²	137	121.3 Å²	121.3	60%	0.596	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-1.8	176.6	-74.3	-177.2	176.8	178.2	0	113.6	N74	N74-K77 PolarHBondContact O-N 3.45Å
78	I	29.5	Very low	30.3	Very low	143 Å²	143	127.8 Å²	127.8	73%	0.733	67%	0.673	S	S	*	*	S	Bend	trans	-112.7	-9.8	-172.3	-61.3	178.6	0	0	0	113.6	V76	V76-I78 VanDerWaalsContact C-N 3.26Å; V76-I78 PolarHBondContact O-N 3.39Å
79	S	28.7	Very low	30.2	Very low	76 Å²	76	124.6 Å²	124.6	53%	0.531	67%	0.667	S	S	.	*	S	Bend	trans	-94.6	-4.2	-172.6	51	0	0	0	0	117.2	K81	S79-K81 PolarHBondContact O-N 2.93Å
80	D	30.5	Very low	30	Very low	149 Å²	149	124.3 Å²	124.3	80%	0.797	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	13.4	-173.3	-85.6	-22.3	0	0	0	115.9
81	K	33.8	Very low	30.2	Very low	206 Å²	206	125 Å²	125	90%	0.896	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	4.3	175.9	-84.1	-174.5	177.2	179.5	0	115.5	S79	S79-K81 PolarHBondContact O-N 2.93Å
82	Q	31.7	Very low	30.3	Very low	171 Å²	171	125.4 Å²	125.4	80%	0.799	68%	0.68	S	S	*	*	S	Bend	trans	-132.9	3	-173.6	-72.1	-165.3	-15.4	0	0	118.5	T84	Q82-T84 PolarHBondContact O-N 2.93Å
83	N	30.8	Very low	30.2	Very low	140 Å²	140	123.9 Å²	123.9	75%	0.749	68%	0.676	S	S	*	*			trans	-102	63.9	178.9	-78.7	-18.6	0	0	0	113.2
84	T	27.7	Very low	30.1	Very low	143 Å²	143	123.4 Å²	123.4	88%	0.877	68%	0.68	S	S	*	*			trans	-81.8	106.9	159.1	51.3	0	0	0	0	109	Q82	Q82-T84 PolarHBondContact O-N 2.93Å
85	G	29.9	Very low	30.1	Very low	70 Å²	70	124 Å²	124	72%	0.722	68%	0.683	S	S	*	*			trans	109.6	75.4	164.6	0	0	0	0	0	115.4
86	L	31.5	Very low	30	Very low	158 Å²	158	123.1 Å²	123.1	83%	0.827	68%	0.683	S	S	*	*			trans	-141.5	129.3	161.1	-83.4	168.5	0	0	0	110.1
87	D	29.9	Very low	30	Very low	149 Å²	149	123.6 Å²	123.6	80%	0.797	68%	0.681	S	S	*	*			trans	-58.6	140.2	-167.5	-90.2	-42.7	0	0	0	115.4	T89	D87-T89 PolarHBondContact O-N 3.39Å
88	K	31	Very low	30	Very low	207 Å²	207	119.8 Å²	119.8	90%	0.9	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	23.5	-167.3	-66.9	176.9	178	171.3	0	115.4
89	T	31.7	Very low	30.2	Very low	126 Å²	126	115.6 Å²	115.6	77%	0.773	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.6	11.1	-166.9	52.9	0	0	0	0	116.4	D87	D87-T89 PolarHBondContact O-N 3.39Å
90	S	27.6	Very low	30.4	Very low	63 Å²	63	117 Å²	117	44%	0.441	66%	0.656	S	S	.	*			trans	-97.7	123.8	-179.2	-164.7	0	0	0	0	113.9	T92 V93	S90-T92 PolarHBondContact O-N 3.21Å; S90-T92 PolarHBondContact OG-OG1 2.68Å; S90-V93 PolarHBondContact O-N 3.12Å
91	P	33.9	Very low	30.6	Very low	98 Å²	98	112.1 Å²	112.1	64%	0.636	63%	0.634	S	S	*	*	H	α-helix	trans	-57.6	-19.7	177.6	-20.9	30.5	0	0	0	114.3	V93 S94 N95	P91-V93 PolarHBondContact O-N 3.28Å; P91-S94 PolarHBondContact O-N 3.42Å; P91-N95 PolarHBondContact O-N 3.32Å
92	T	30.6	Very low	30.9	Very low	83 Å²	83	105.8 Å²	105.8	51%	0.509	61%	0.612	S	S	.	*	H	α-helix	trans	-68.7	-32.7	-175.7	-19.5	0	0	0	0	112.8	S90 N95 N96	S90-T92 PolarHBondContact O-N 3.21Å; S90-T92 PolarHBondContact OG-OG1 2.68Å; T92-N95 PolarHBondContact O-N 3.34Å; T92-N96 PolarHBondContact O-N 3.36Å
93	V	26.7	Very low	31.3	Very low	87 Å²	87	102.6 Å²	102.6	53%	0.527	60%	0.6	S	S	.	*	H	α-helix	trans	-71.2	-38.4	-179.9	180	0	0	0	0	111	S90 P91 N95 N96 I97	S90-V93 PolarHBondContact O-N 3.12Å; P91-V93 PolarHBondContact O-N 3.28Å; V93-N95 VanDerWaalsContact C-N 3.32Å; V93-N95 PolarHBondContact O-N 3.43Å; V93-N96 PolarHBondContact O-N 3.42Å; V93-I97 HydrophobicContact CG1-CD1 3.77Å; V93-I97 HydrophobicContact CG1-CG1 4.43Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.21Å; V93-I97 PolarHBondContact O-N 3.44Å
94	S	26.8	Very low	31.7	Very low	78 Å²	78	99.2 Å²	99.2	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-65.3	-36.9	177.2	-160.1	0	0	0	0	111.7	P91 S98	P91-S94 PolarHBondContact O-N 3.42Å; S94-S98 WeakPolarHBondContact O-CB 3.29Å; S94-S98 PolarHBondContact O-N 2.97Å; S94-S98 PolarHBondContact O-OG 3Å
95	N	29.1	Very low	32.5	Very low	106 Å²	106	96.4 Å²	96.4	57%	0.567	56%	0.562	S	S	*	*	H	α-helix	trans	-70.8	-37.7	177.9	-72.1	-13.5	0	0	0	112.5	P91 T92 V93 S98 S99	P91-N95 PolarHBondContact O-N 3.32Å; T92-N95 PolarHBondContact O-N 3.34Å; V93-N95 VanDerWaalsContact C-N 3.32Å; V93-N95 PolarHBondContact O-N 3.43Å; N95-S98 WeakPolarHBondContact O-CB 3.39Å; N95-S98 PolarHBondContact O-N 2.81Å; N95-S99 WeakPolarHBondContact O-CB 3.27Å; N95-S99 PolarHBondContact O-N 2.87Å; N95-S99 PolarHBondContact O-OG 2.92Å
96	N	27.6	Very low	33.2	Very low	103 Å²	103	97 Å²	97	55%	0.551	55%	0.548	S	S	*	.	H	α-helix	trans	-70.7	-37.6	176.5	-70.5	-16.1	0	0	0	112.5	T92 V93 S98 S99 L100	T92-N96 PolarHBondContact O-N 3.36Å; V93-N96 PolarHBondContact O-N 3.42Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S99 WeakPolarHBondContact CA-OG 3.46Å; N96-S99 PolarHBondContact O-OG 2.96Å; N96-L100 WeakPolarHBondContact O-CB 3.47Å; N96-L100 PolarHBondContact O-N 2.86Å
97	I	29.1	Very low	33.8	Very low	103 Å²	103	92.3 Å²	92.3	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-67.1	-37.8	173	-66.3	167.7	0	0	0	110.6	V93 S101	V93-I97 HydrophobicContact CG1-CD1 3.77Å; V93-I97 HydrophobicContact CG1-CG1 4.43Å; V93-I97 VanDerWaalsContact O-CG1 3.28Å; V93-I97 WeakPolarHBondContact O-CG1 3.21Å; V93-I97 PolarHBondContact O-N 3.44Å; I97-S101 WeakPolarHBondContact O-CB 3.38Å; I97-S101 PolarHBondContact O-N 2.97Å
98	S	31.6	Very low	34.4	Very low	57 Å²	57	86.8 Å²	86.8	40%	0.399	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-49.1	175.1	-55.6	0	0	0	0	111.3	S94 N95 N96 S101 T102	S94-S98 WeakPolarHBondContact O-CB 3.29Å; S94-S98 PolarHBondContact O-N 2.97Å; S94-S98 PolarHBondContact O-OG 3Å; N95-S98 WeakPolarHBondContact O-CB 3.39Å; N95-S98 PolarHBondContact O-N 2.81Å; N96-S98 VanDerWaalsContact C-N 3.33Å; S98-S101 PolarHBondContact O-N 2.76Å; S98-T102 WeakPolarHBondContact O-CB 3.38Å; S98-T102 PolarHBondContact O-N 3.48Å; S98-T102 PolarHBondContact O-OG1 3.15Å
99	S	34.3	Very low	35	Very low	55 Å²	55	78 Å²	78	39%	0.385	47%	0.465	S	S	.	.	H	α-helix	trans	-66.1	-40.8	180	64.3	0	0	0	0	111.9	N95 N96 T102 N103	N95-S99 WeakPolarHBondContact O-CB 3.27Å; N95-S99 PolarHBondContact O-N 2.87Å; N95-S99 PolarHBondContact O-OG 2.92Å; N96-S99 WeakPolarHBondContact CA-OG 3.46Å; N96-S99 PolarHBondContact O-OG 2.96Å; S99-T102 PolarHBondContact O-N 3Å; S99-N103 WeakPolarHBondContact O-CB 3.25Å; S99-N103 VanDerWaalsContact O-CG 3.29Å; S99-N103 PolarHBondContact O-N 3.4Å
100	L	33.1	Very low	35.8	Very low	105 Å²	105	75.3 Å²	75.3	55%	0.55	45%	0.451	S	S	.	.	H	α-helix	trans	-65.2	-43.8	175.1	-162.7	69.5	0	0	0	111.7	N96 T102 N103 V104	N96-L100 WeakPolarHBondContact O-CB 3.47Å; N96-L100 PolarHBondContact O-N 2.86Å; L100-T102 VanDerWaalsContact C-N 3.25Å; L100-T102 PolarHBondContact O-N 3.01Å; L100-N103 PolarHBondContact O-N 2.98Å; L100-V104 WeakPolarHBondContact O-CB 3.35Å; L100-V104 VanDerWaalsContact O-CG2 3.28Å; L100-V104 WeakPolarHBondContact O-CG2 3.49Å; L100-V104 PolarHBondContact O-N 3.18Å
101	S	34.7	Very low	36.7	Very low	47 Å²	47	74.4 Å²	74.4	33%	0.329	44%	0.443	S	S	.	.	H	α-helix	trans	-61.4	-34.7	173.4	179.4	0	0	0	0	112.2	I97 S98 H105	I97-S101 WeakPolarHBondContact O-CB 3.38Å; I97-S101 PolarHBondContact O-N 2.97Å; S98-S101 PolarHBondContact O-N 2.76Å; S101-H105 WeakPolarHBondContact O-CB 3.38Å; S101-H105 PolarHBondContact O-N 3.41Å
102	T	40.1	Very low	37.4	Very low	72 Å²	72	70.1 Å²	70.1	44%	0.442	42%	0.415	S	S	.	.	H	α-helix	trans	-75.8	-41.2	-179.6	-45.9	0	0	0	0	110.6	S98 S99 L100 H105 N106	S98-T102 WeakPolarHBondContact O-CB 3.38Å; S98-T102 PolarHBondContact O-N 3.48Å; S98-T102 PolarHBondContact O-OG1 3.15Å; S99-T102 PolarHBondContact O-N 3Å; L100-T102 VanDerWaalsContact C-N 3.25Å; L100-T102 PolarHBondContact O-N 3.01Å; T102-H105 PolarHBondContact O-N 2.6Å; T102-N106 WeakPolarHBondContact O-CB 3.5Å; T102-N106 PolarHBondContact O-N 2.8Å; T102-N106 PolarHBondContact O-ND2 3.47Å; T102-N106 PolarHBondContact O-OD1 2.78Å
103	N	39.5	Very low	38.2	Very low	104 Å²	104	72.2 Å²	72.2	56%	0.556	42%	0.418	S	S	*	.	H	α-helix	trans	-65.6	-43.7	176.8	-73.3	-14.4	0	0	0	112.1	S99 L100 N106 S107	S99-N103 WeakPolarHBondContact O-CB 3.25Å; S99-N103 VanDerWaalsContact O-CG 3.29Å; S99-N103 PolarHBondContact O-N 3.4Å; L100-N103 PolarHBondContact O-N 2.98Å; N103-N106 PolarHBondContact O-N 3.28Å; N103-S107 WeakPolarHBondContact O-CB 3.5Å; N103-S107 PolarHBondContact O-N 3.06Å
104	V	39.9	Very low	39.4	Very low	69 Å²	69	73.9 Å²	73.9	42%	0.418	42%	0.424	S	S	.	.	H	α-helix	trans	-64.1	-43.9	174.4	173.5	0	0	0	0	110.7	L100 N106 S107 V108	L100-V104 WeakPolarHBondContact O-CB 3.35Å; L100-V104 VanDerWaalsContact O-CG2 3.28Å; L100-V104 WeakPolarHBondContact O-CG2 3.49Å; L100-V104 PolarHBondContact O-N 3.18Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 2.88Å; V104-S107 PolarHBondContact O-N 2.92Å; V104-V108 HydrophobicContact CG1-CG2 4.38Å; V104-V108 WeakPolarHBondContact O-CB 3.44Å; V104-V108 VanDerWaalsContact O-CG2 3.24Å; V104-V108 WeakPolarHBondContact O-CG2 3.46Å; V104-V108 PolarHBondContact O-N 3.36Å
105	H	43.6	Very low	40.2	Very low	85 Å²	85	71.6 Å²	71.6	39%	0.394	41%	0.405	S	S	.	.	H	α-helix	trans	-59.6	-43.9	175.2	177.8	-76.7	0	0	0	112	S101 T102 V108 C109	S101-H105 WeakPolarHBondContact O-CB 3.38Å; S101-H105 PolarHBondContact O-N 3.41Å; T102-H105 PolarHBondContact O-N 2.6Å; H105-V108 PolarHBondContact O-N 3.31Å; H105-C109 PolarHBondContact CE1-SG 3.2Å; H105-C109 WeakPolarHBondContact O-CB 3.37Å; H105-C109 PolarHBondContact O-N 2.75Å; H105-C109 PolarHBondContact O-SG 2.88Å
106	N	45.5	Very low	41	Very low	82 Å²	82	70.2 Å²	70.2	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-65.3	-44.3	178.9	-69.8	-16.9	0	0	0	111.5	T102 N103 V104 V108 C109 S110	T102-N106 WeakPolarHBondContact O-CB 3.5Å; T102-N106 PolarHBondContact O-N 2.8Å; T102-N106 PolarHBondContact O-ND2 3.47Å; T102-N106 PolarHBondContact O-OD1 2.78Å; N103-N106 PolarHBondContact O-N 3.28Å; V104-N106 VanDerWaalsContact C-N 3.34Å; V104-N106 PolarHBondContact O-N 2.88Å; N106-V108 PolarHBondContact O-N 3.29Å; N106-C109 PolarHBondContact O-N 2.91Å; N106-S110 PolarHBondContact O-N 3.1Å; N106-S110 PolarHBondContact O-OG 2.92Å
107	S	43	Very low	41.7	Very low	60 Å²	60	68.3 Å²	68.3	42%	0.42	40%	0.399	S	S	.	.	H	α-helix	trans	-60	-46.5	175.2	-171	0	0	0	0	111.6	N103 V104 C109 S110 T111	N103-S107 WeakPolarHBondContact O-CB 3.5Å; N103-S107 PolarHBondContact O-N 3.06Å; V104-S107 PolarHBondContact O-N 2.92Å; S107-C109 PolarHBondContact O-N 2.95Å; S107-S110 PolarHBondContact O-N 3.36Å; S107-T111 PolarHBondContact O-N 2.93Å; S107-T111 PolarHBondContact O-OG1 3.19Å
108	V	43.5	Very low	42.7	Very low	32 Å²	32	68.5 Å²	68.5	19%	0.194	40%	0.401	C	S	.	.	H	α-helix	trans	-61.4	-44.7	176.1	171.1	0	0	0	0	110.6	L50 V104 H105 N106 S110 T111 L112 I132	L50-V108 HydrophobicContact CD2-CG1 4.34Å; V104-V108 HydrophobicContact CG1-CG2 4.38Å; V104-V108 WeakPolarHBondContact O-CB 3.44Å; V104-V108 VanDerWaalsContact O-CG2 3.24Å; V104-V108 WeakPolarHBondContact O-CG2 3.46Å; V104-V108 PolarHBondContact O-N 3.36Å; H105-V108 PolarHBondContact O-N 3.31Å; N106-V108 PolarHBondContact O-N 3.29Å; V108-S110 VanDerWaalsContact C-N 3.35Å; V108-S110 PolarHBondContact O-N 3.02Å; V108-T111 PolarHBondContact O-N 2.98Å; V108-L112 HydrophobicContact CG1-CD1 3.83Å; V108-L112 HydrophobicContact CG1-CG 4.18Å; V108-L112 VanDerWaalsContact O-CB 3.32Å; V108-L112 WeakPolarHBondContact O-CB 3.3Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 2.94Å; V108-I132 HydrophobicContact CG1-CG2 4.1Å
109	C	43.7	Very low	43.3	Very low	24 Å²	24	77.9 Å²	77.9	16%	0.162	43%	0.428	C	S	.	.	H	α-helix	trans	-61.4	-39.3	176.4	-81.2	0	0	0	0	113.1	H105 N106 S107 L112 Q113	H105-C109 PolarHBondContact CE1-SG 3.2Å; H105-C109 WeakPolarHBondContact O-CB 3.37Å; H105-C109 PolarHBondContact O-N 2.75Å; H105-C109 PolarHBondContact O-SG 2.88Å; N106-C109 PolarHBondContact O-N 2.91Å; S107-C109 PolarHBondContact O-N 2.95Å; C109-L112 PolarHBondContact O-N 3.01Å; C109-Q113 WeakPolarHBondContact O-CG 3.26Å; C109-Q113 PolarHBondContact O-N 3.5Å
110	S	48.2	Very low	43.9	Very low	68 Å²	68	84.5 Å²	84.5	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-45.6	175.1	-65.9	0	0	0	0	111.9	N106 S107 V108 L112 Q113 L114	N106-S110 PolarHBondContact O-N 3.1Å; N106-S110 PolarHBondContact O-OG 2.92Å; S107-S110 PolarHBondContact O-N 3.36Å; V108-S110 VanDerWaalsContact C-N 3.35Å; V108-S110 PolarHBondContact O-N 3.02Å; S110-L112 VanDerWaalsContact C-N 3.33Å; S110-L112 PolarHBondContact O-N 3.23Å; S110-Q113 PolarHBondContact O-N 2.87Å; S110-L114 PolarHBondContact O-N 3.43Å; S110-L114 VanDerWaalsContact O-N 3.1Å
111	T	46.5	Very low	44.7	Very low	45 Å²	45	81.2 Å²	81.2	28%	0.276	43%	0.432	S	S	.	.	H	α-helix	trans	-62.4	-40.5	175	-48.5	0	0	0	0	111.5	S107 V108 Q113 L114 I115	S107-T111 PolarHBondContact O-N 2.93Å; S107-T111 PolarHBondContact O-OG1 3.19Å; V108-T111 PolarHBondContact O-N 2.98Å; T111-Q113 PolarHBondContact O-N 2.91Å; T111-L114 PolarHBondContact O-N 3.32Å; T111-I115 HydrophobicContact CG2-CD1 4.15Å; T111-I115 WeakPolarHBondContact O-CD1 3.22Å; T111-I115 VanDerWaalsContact O-CG1 3.23Å; T111-I115 WeakPolarHBondContact O-CG1 3.3Å; T111-I115 PolarHBondContact O-N 3.45Å
112	L	47.8	Very low	45.6	Very low	8 Å²	8	82 Å²	82	4%	0.042	44%	0.437	C	S	.	.	H	α-helix	trans	-65.9	-34	177.3	-74.1	-177.7	0	0	0	113.4	V108 C109 S110 I115 K116 I129 I132 E133	V108-L112 HydrophobicContact CG1-CD1 3.83Å; V108-L112 HydrophobicContact CG1-CG 4.18Å; V108-L112 VanDerWaalsContact O-CB 3.32Å; V108-L112 WeakPolarHBondContact O-CB 3.3Å; V108-L112 WeakPolarHBondContact O-CG 3.36Å; V108-L112 PolarHBondContact O-N 2.94Å; C109-L112 PolarHBondContact O-N 3.01Å; S110-L112 VanDerWaalsContact C-N 3.33Å; S110-L112 PolarHBondContact O-N 3.23Å; L112-I115 HydrophobicContact CD2-CD1 4.33Å; L112-K116 WeakPolarHBondContact O-CG 3.2Å; L112-K116 PolarHBondContact O-N 2.78Å; L112-I129 HydrophobicContact CB-CG2 3.73Å; L112-I129 HydrophobicContact CD1-CG2 4.15Å; L112-I129 HydrophobicContact CD2-CB 4.02Å; L112-I129 HydrophobicContact CD2-CD1 4.26Å; L112-I129 HydrophobicContact CD2-CG1 3.62Å; L112-I129 HydrophobicContact CD2-CG2 3.64Å; L112-I129 HydrophobicContact CG-CG2 4.02Å; L112-I132 HydrophobicContact CD1-CB 3.9Å; L112-I132 HydrophobicContact CD1-CG2 3.64Å; L112-E133 HydrophobicContact CB-CG 4.49Å; L112-E133 HydrophobicContact CD1-CG 3.91Å
113	Q	48.8	Very low	46.2	Very low	126 Å²	126	86.9 Å²	86.9	59%	0.589	45%	0.452	S	S	*	.	H	α-helix	trans	-68.8	-40.8	173.4	-78.1	177.8	1.4	0	0	112.4	C109 S110 T111 I115 K116 G117	C109-Q113 WeakPolarHBondContact O-CG 3.26Å; C109-Q113 PolarHBondContact O-N 3.5Å; S110-Q113 PolarHBondContact O-N 2.87Å; T111-Q113 PolarHBondContact O-N 2.91Å; Q113-I115 VanDerWaalsContact C-N 3.31Å; Q113-I115 PolarHBondContact O-N 3.44Å; Q113-K116 PolarHBondContact O-N 3.3Å; Q113-G117 PolarHBondContact O-N 2.98Å
114	L	51	Low	46.5	Very low	122 Å²	122	86.4 Å²	86.4	64%	0.639	45%	0.447	S	S	*	.	H	α-helix	trans	-61.5	-42.3	173.5	-71.4	169.6	0	0	0	111.2	S110 T111 G117	S110-L114 PolarHBondContact O-N 3.43Å; S110-L114 VanDerWaalsContact O-N 3.1Å; T111-L114 PolarHBondContact O-N 3.32Å; L114-G117 PolarHBondContact O-N 2.57Å
115	I	44.7	Very low	46.9	Very low	30 Å²	30	84.5 Å²	84.5	15%	0.154	44%	0.435	C	S	.	.	H	α-helix	trans	-61.7	-47.7	175.2	-63	162.4	0	0	0	109.3	T111 L112 Q113 G117 N118 I121 I129	T111-I115 HydrophobicContact CG2-CD1 4.15Å; T111-I115 WeakPolarHBondContact O-CD1 3.22Å; T111-I115 VanDerWaalsContact O-CG1 3.23Å; T111-I115 WeakPolarHBondContact O-CG1 3.3Å; T111-I115 PolarHBondContact O-N 3.45Å; L112-I115 HydrophobicContact CD2-CD1 4.33Å; Q113-I115 VanDerWaalsContact C-N 3.31Å; Q113-I115 PolarHBondContact O-N 3.44Å; I115-G117 PolarHBondContact O-N 2.92Å; I115-N118 PolarHBondContact O-N 2.92Å; I115-I121 HydrophobicContact CB-CD1 4.41Å; I115-I121 HydrophobicContact CG2-CD1 3.42Å; I115-I121 VanDerWaalsContact CG2-CD1 3.42Å; I115-I121 HydrophobicContact CG2-CG1 4.46Å; I115-I121 WeakPolarHBondContact O-CD1 3.35Å; I115-I129 HydrophobicContact CB-CD1 3.89Å; I115-I129 HydrophobicContact CG2-CD1 3.28Å
116	K	45.6	Very low	47.5	Very low	77 Å²	77	83.2 Å²	83.2	34%	0.335	43%	0.431	S	S	.	.	H	α-helix	trans	-55	-23.7	177.6	-80.1	175.6	172.2	175.5	0	116.2	L112 Q113 N118 I129 N130 E133	L112-K116 WeakPolarHBondContact O-CG 3.2Å; L112-K116 PolarHBondContact O-N 2.78Å; Q113-K116 PolarHBondContact O-N 3.3Å; K116-N118 VanDerWaalsContact C-N 3.3Å; K116-N118 PolarHBondContact O-N 3.18Å; K116-I129 HydrophobicContact CD-CG2 4.47Å; K116-I129 HydrophobicContact CG-CG2 4.25Å; K116-N130 PolarHBondContact NZ-OD1 3.25Å; K116-E133 VanDerWaalsContact CE-OE1 3.24Å; K116-E133 WeakPolarHBondContact CE-OE1 3.33Å; K116-E133 IonicContact NZ-OE1 2.7Å; K116-E133 PolarHBondContact NZ-OE1 3.06Å; K116-E133 IonicContact NZ-OE2 2.55Å; K116-E133 PolarHBondContact NZ-OE2 3.12Å
117	G	42.5	Very low	47.9	Very low	63 Å²	63	81.5 Å²	81.5	65%	0.649	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-15.5	177.3	0	0	0	0	0	114.7	Q113 L114 I115 R119	Q113-G117 PolarHBondContact O-N 2.98Å; L114-G117 PolarHBondContact O-N 2.57Å; I115-G117 PolarHBondContact O-N 2.92Å; G117-R119 PolarHBondContact O-N 2.72Å
118	N	50.2	Low	48.4	Very low	107 Å²	107	82 Å²	82	57%	0.572	42%	0.416	S	S	*	.			trans	-84.6	111.7	-173	-127.3	-31.5	0	0	0	111.5	I115 K116 K120 I121	I115-N118 PolarHBondContact O-N 2.92Å; K116-N118 VanDerWaalsContact C-N 3.3Å; K116-N118 PolarHBondContact O-N 3.18Å; N118-K120 PolarHBondContact O-N 3.39Å; N118-I121 HydrophobicContact CB-CD1 3.29Å; N118-I121 HydrophobicContact CB-CG1 3.88Å; N118-I121 WeakPolarHBondContact O-CD1 3.1Å; N118-I121 WeakPolarHBondContact O-CG1 3.32Å; N118-I121 PolarHBondContact O-N 3.44Å
119	R	43	Very low	49	Very low	255 Å²	255	80.6 Å²	80.6	96%	0.962	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-12.1	-175.4	-71.3	-178.2	178.3	161.7	-0	115.1	G117	G117-R119 PolarHBondContact O-N 2.72Å
120	K	47.4	Very low	49.5	Very low	194 Å²	194	81 Å²	81	84%	0.843	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	5.6	-177.9	-68.1	-176.7	178.8	175.8	0	114.3	N118	N118-K120 PolarHBondContact O-N 3.39Å
121	I	50.3	Low	49.8	Very low	36 Å²	36	79.2 Å²	79.2	19%	0.185	39%	0.393	C	S	.	.			trans	-85.3	126.7	-173	-68	163.1	0	0	0	111	I115 N118 V125 I126	I115-I121 HydrophobicContact CB-CD1 4.41Å; I115-I121 HydrophobicContact CG2-CD1 3.42Å; I115-I121 VanDerWaalsContact CG2-CD1 3.42Å; I115-I121 HydrophobicContact CG2-CG1 4.46Å; I115-I121 WeakPolarHBondContact O-CD1 3.35Å; N118-I121 HydrophobicContact CB-CD1 3.29Å; N118-I121 HydrophobicContact CB-CG1 3.88Å; N118-I121 WeakPolarHBondContact O-CD1 3.1Å; N118-I121 WeakPolarHBondContact O-CG1 3.32Å; N118-I121 PolarHBondContact O-N 3.44Å; I121-V125 HydrophobicContact CG2-CB 3.48Å; I121-V125 VanDerWaalsContact CG2-CB 3.48Å; I121-V125 HydrophobicContact CG2-CG1 3.48Å; I121-V125 VanDerWaalsContact CG2-CG1 3.48Å; I121-V125 HydrophobicContact CG2-CG2 4.47Å; I121-I126 HydrophobicContact CB-CG1 4.38Å; I121-I126 HydrophobicContact CG2-CD1 4.4Å; I121-I126 HydrophobicContact CG2-CG1 3.72Å
122	S	53.1	Low	50.2	Low	62 Å²	62	79.4 Å²	79.4	43%	0.434	39%	0.392	S	S	.	.			trans	-53.3	139.4	174.2	172.4	0	0	0	0	110.8	E124 V125 I126	S122-E124 PolarHBondContact O-N 2.94Å; S122-E124 WeakPolarHBondContact OG-CB 3.25Å; S122-E124 PolarHBondContact OG-N 3.47Å; S122-E124 VanDerWaalsContact OG-N 3.17Å; S122-V125 PolarHBondContact O-N 2.66Å; S122-I126 PolarHBondContact O-N 3.47Å; S122-I126 VanDerWaalsContact O-N 3.09Å
123	K	52.8	Low	50.2	Low	175 Å²	175	81.2 Å²	81.2	76%	0.761	40%	0.4	S	S	*	.	H	α-helix	trans	-49	-29.4	170.5	-70.4	176.7	-179.9	171.2	0	111.9	N127	K123-N127 WeakPolarHBondContact O-CB 3.49Å; K123-N127 PolarHBondContact O-N 3.37Å; K123-N127 PolarHBondContact O-ND2 2.96Å
124	E	44.8	Very low	50.2	Low	94 Å²	94	81 Å²	81	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-43.7	176.7	-159.5	-173.1	153.3	0	0	112.9	S122 N127 K128 A146	S122-E124 PolarHBondContact O-N 2.94Å; S122-E124 WeakPolarHBondContact OG-CB 3.25Å; S122-E124 PolarHBondContact OG-N 3.47Å; S122-E124 VanDerWaalsContact OG-N 3.17Å; E124-N127 PolarHBondContact O-N 2.92Å; E124-K128 WeakPolarHBondContact O-CG 3.5Å; E124-K128 PolarHBondContact O-N 3.29Å; E124-K128 WeakPolarHBondContact OE1-CE 3.24Å; E124-K128 IonicContact OE1-NZ 3.82Å; E124-K128 PolarHBondContact OE1-NZ 3.39Å; E124-A146 HydrophobicContact CB-CB 4.25Å; E124-A146 HydrophobicContact CG-CB 4.03Å
125	V	49	Very low	50	Low	30 Å²	30	78 Å²	78	18%	0.182	39%	0.392	C	S	.	.	H	α-helix	trans	-69.2	-43.4	177.1	174.8	0	0	0	0	109.8	I121 S122 N127 K128 I129	I121-V125 HydrophobicContact CG2-CB 3.48Å; I121-V125 VanDerWaalsContact CG2-CB 3.48Å; I121-V125 HydrophobicContact CG2-CG1 3.48Å; I121-V125 VanDerWaalsContact CG2-CG1 3.48Å; I121-V125 HydrophobicContact CG2-CG2 4.47Å; S122-V125 PolarHBondContact O-N 2.66Å; V125-N127 VanDerWaalsContact C-N 3.26Å; V125-N127 PolarHBondContact O-N 3.37Å; V125-K128 PolarHBondContact O-N 3.22Å; V125-K128 VanDerWaalsContact O-N 3.16Å; V125-I129 HydrophobicContact CG1-CD1 3.82Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 WeakPolarHBondContact O-CB 3.49Å; V125-I129 WeakPolarHBondContact O-CG1 3.26Å; V125-I129 PolarHBondContact O-N 2.94Å
126	I	56.1	Low	49.9	Very low	57 Å²	57	83.5 Å²	83.5	29%	0.292	41%	0.411	S	S	.	.	H	α-helix	trans	-57.6	-39.6	173.3	-64.8	171.7	0	0	0	111.3	I121 S122 N130	I121-I126 HydrophobicContact CB-CG1 4.38Å; I121-I126 HydrophobicContact CG2-CD1 4.4Å; I121-I126 HydrophobicContact CG2-CG1 3.72Å; S122-I126 PolarHBondContact O-N 3.47Å; S122-I126 VanDerWaalsContact O-N 3.09Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.26Å; I126-N130 WeakPolarHBondContact O-CB 3.24Å; I126-N130 PolarHBondContact O-N 3.16Å; I126-N130 PolarHBondContact O-ND2 2.85Å
127	N	54	Low	50.2	Low	46 Å²	46	85 Å²	85	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-69.5	-39.6	177.3	-75.9	-20.9	0	0	0	112.7	K123 E124 V125 N130 N131 A146	K123-N127 WeakPolarHBondContact O-CB 3.49Å; K123-N127 PolarHBondContact O-N 3.37Å; K123-N127 PolarHBondContact O-ND2 2.96Å; E124-N127 PolarHBondContact O-N 2.92Å; V125-N127 VanDerWaalsContact C-N 3.26Å; V125-N127 PolarHBondContact O-N 3.37Å; N127-N130 PolarHBondContact O-N 3.47Å; N127-N131 PolarHBondContact O-N 2.89Å; N127-N131 VanDerWaalsContact O-N 3.14Å; N127-N131 PolarHBondContact O-ND2 3.12Å; N127-N131 VanDerWaalsContact O-ND2 3.17Å; N127-A146 HydrophobicContact CB-CB 4.33Å; N127-A146 WeakPolarHBondContact CB-O 3.37Å; N127-A146 VanDerWaalsContact ND2-CB 3.31Å; N127-A146 WeakPolarHBondContact ND2-CB 3.39Å; N127-A146 PolarHBondContact ND2-O 3.37Å
128	K	54	Low	50.6	Low	70 Å²	70	84.9 Å²	84.9	30%	0.304	40%	0.399	S	S	.	.	H	α-helix	trans	-63.6	-43.2	174	-71.1	172.8	-174	167.7	0	111.4	L53 E124 V125 N130 N131 I132	L53-K128 HydrophobicContact CD1-CB 4.39Å; L53-K128 HydrophobicContact CD2-CB 3.79Å; L53-K128 HydrophobicContact CD2-CD 3.78Å; L53-K128 HydrophobicContact CD2-CG 4.37Å; E124-K128 WeakPolarHBondContact O-CG 3.5Å; E124-K128 PolarHBondContact O-N 3.29Å; E124-K128 WeakPolarHBondContact OE1-CE 3.24Å; E124-K128 IonicContact OE1-NZ 3.82Å; E124-K128 PolarHBondContact OE1-NZ 3.39Å; V125-K128 PolarHBondContact O-N 3.22Å; V125-K128 VanDerWaalsContact O-N 3.16Å; K128-N130 PolarHBondContact O-N 2.81Å; K128-N131 WeakPolarHBondContact O-CB 3.29Å; K128-N131 PolarHBondContact O-N 3.19Å; K128-N131 VanDerWaalsContact O-N 3.16Å; K128-I132 PolarHBondContact O-N 3.21Å
129	I	56.3	Low	51.2	Low	3 Å²	3	83.7 Å²	83.7	2%	0.015	40%	0.4	C	S	.	.	H	α-helix	trans	-60.4	-46.6	174.5	-66.3	173.1	0	0	0	111.6	L112 I115 K116 V125 N131 I132 E133	L112-I129 HydrophobicContact CB-CG2 3.73Å; L112-I129 HydrophobicContact CD1-CG2 4.15Å; L112-I129 HydrophobicContact CD2-CB 4.02Å; L112-I129 HydrophobicContact CD2-CD1 4.26Å; L112-I129 HydrophobicContact CD2-CG1 3.62Å; L112-I129 HydrophobicContact CD2-CG2 3.64Å; L112-I129 HydrophobicContact CG-CG2 4.02Å; I115-I129 HydrophobicContact CB-CD1 3.89Å; I115-I129 HydrophobicContact CG2-CD1 3.28Å; K116-I129 HydrophobicContact CD-CG2 4.47Å; K116-I129 HydrophobicContact CG-CG2 4.25Å; V125-I129 HydrophobicContact CG1-CD1 3.82Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 WeakPolarHBondContact O-CB 3.49Å; V125-I129 WeakPolarHBondContact O-CG1 3.26Å; V125-I129 PolarHBondContact O-N 2.94Å; I129-N131 PolarHBondContact O-N 3.35Å; I129-I132 PolarHBondContact O-N 2.89Å; I129-I132 VanDerWaalsContact O-N 3.15Å; I129-E133 PolarHBondContact O-N 3.34Å; I129-E133 VanDerWaalsContact O-N 3.1Å
130	N	54.2	Low	52.2	Low	32 Å²	32	75.9 Å²	75.9	17%	0.171	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-20.5	177.4	-87.6	-43	0	0	0	114.3	K116 I126 N127 K128 R134	K116-N130 PolarHBondContact NZ-OD1 3.25Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.26Å; I126-N130 WeakPolarHBondContact O-CB 3.24Å; I126-N130 PolarHBondContact O-N 3.16Å; I126-N130 PolarHBondContact O-ND2 2.85Å; N127-N130 PolarHBondContact O-N 3.47Å; K128-N130 PolarHBondContact O-N 2.81Å; N130-R134 VanDerWaalsContact CB-NH1 3.3Å; N130-R134 WeakPolarHBondContact O-CG 3.48Å; N130-R134 PolarHBondContact O-NH1 3.06Å; N130-R134 PolarHBondContact OD1-NH1 3.48Å
131	N	54.7	Low	53.1	Low	31 Å²	31	69.7 Å²	69.7	17%	0.166	35%	0.352	C	S	.	.	H	α-helix	trans	-81	-40.4	174.1	-67	-31.9	0	0	0	111.6	N127 K128 I129 R134 C148	N127-N131 PolarHBondContact O-N 2.89Å; N127-N131 VanDerWaalsContact O-N 3.14Å; N127-N131 PolarHBondContact O-ND2 3.12Å; N127-N131 VanDerWaalsContact O-ND2 3.17Å; K128-N131 WeakPolarHBondContact O-CB 3.29Å; K128-N131 PolarHBondContact O-N 3.19Å; K128-N131 VanDerWaalsContact O-N 3.16Å; I129-N131 PolarHBondContact O-N 3.35Å; N131-R134 PolarHBondContact O-N 3.4Å; N131-C148 VanDerWaalsContact ND2-CB 3.34Å; N131-C148 WeakPolarHBondContact ND2-CB 3.26Å; N131-C148 PolarHBondContact ND2-SG 2.82Å; N131-C148 VanDerWaalsContact OD1-CB 3.29Å; N131-C148 WeakPolarHBondContact OD1-CB 3.31Å
132	I	53.1	Low	54.1	Low	49 Å²	49	68.1 Å²	68.1	25%	0.251	34%	0.344	S	S	.	.	H	α-helix	trans	-64.2	-49	178.2	-65.3	168.4	0	0	0	110.3	L50 L53 V108 L112 K128 I129 R134 G135	L50-I132 HydrophobicContact CD2-CD1 4.19Å; L53-I132 HydrophobicContact CD1-CD1 3.19Å; L53-I132 HydrophobicContact CD1-CG1 4.46Å; V108-I132 HydrophobicContact CG1-CG2 4.1Å; L112-I132 HydrophobicContact CD1-CB 3.9Å; L112-I132 HydrophobicContact CD1-CG2 3.64Å; K128-I132 PolarHBondContact O-N 3.21Å; I129-I132 PolarHBondContact O-N 2.89Å; I129-I132 VanDerWaalsContact O-N 3.15Å; I132-R134 PolarHBondContact O-N 3.25Å; I132-R134 VanDerWaalsContact O-N 3.14Å; I132-G135 PolarHBondContact O-N 2.95Å
133	E	49.7	Very low	54.8	Low	47 Å²	47	70.9 Å²	70.9	22%	0.22	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	179.5	-70.8	177.4	166.7	0	0	114.4	L112 K116 I129	L112-E133 HydrophobicContact CB-CG 4.49Å; L112-E133 HydrophobicContact CD1-CG 3.91Å; K116-E133 VanDerWaalsContact CE-OE1 3.24Å; K116-E133 WeakPolarHBondContact CE-OE1 3.33Å; K116-E133 IonicContact NZ-OE1 2.7Å; K116-E133 PolarHBondContact NZ-OE1 3.06Å; K116-E133 IonicContact NZ-OE2 2.55Å; K116-E133 PolarHBondContact NZ-OE2 3.12Å; I129-E133 PolarHBondContact O-N 3.34Å; I129-E133 VanDerWaalsContact O-N 3.1Å
134	R	48.7	Very low	55.4	Low	122 Å²	122	69 Å²	69	46%	0.46	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.2	-174.9	-77.4	-173.4	177.2	82.6	-0.1	113.7	N130 N131 I132 R136	N130-R134 VanDerWaalsContact CB-NH1 3.3Å; N130-R134 WeakPolarHBondContact O-CG 3.48Å; N130-R134 PolarHBondContact O-NH1 3.06Å; N130-R134 PolarHBondContact OD1-NH1 3.48Å; N131-R134 PolarHBondContact O-N 3.4Å; I132-R134 PolarHBondContact O-N 3.25Å; I132-R134 VanDerWaalsContact O-N 3.14Å; R134-R136 WeakPolarHBondContact O-CG 3.27Å; R134-R136 PolarHBondContact O-N 3.19Å
135	G	44.8	Very low	56.6	Low	58 Å²	58	66.7 Å²	66.7	60%	0.598	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	24.1	-178.7	0	0	0	0	0	113.4	I132	I132-G135 PolarHBondContact O-N 2.95Å
136	R	44	Very low	57.4	Low	145 Å²	145	66 Å²	66	55%	0.547	35%	0.345	S	S	.	.			trans	-120.6	108.8	-177.5	-74.3	177.5	-153.8	168.7	7.5	107.1	R134 R138	R134-R136 WeakPolarHBondContact O-CG 3.27Å; R134-R136 PolarHBondContact O-N 3.19Å; R136-R138 VanDerWaalsContact C-N 3.27Å; R136-R138 HydrophobicContact CB-CG 4.49Å; R136-R138 PolarHBondContact O-N 3.46Å
137	E	51.1	Low	57.9	Low	110 Å²	110	68.9 Å²	68.9	51%	0.514	36%	0.356	S	S	.	.			trans	-51.7	94.1	163	-81.2	164.3	-158.2	0	0	109
138	R	50.8	Low	58.4	Low	59 Å²	59	67.8 Å²	67.8	22%	0.223	35%	0.352	C	S	.	.			trans	-102.4	68.6	166.5	-71.6	-174.1	172.8	104.1	-5.5	107.1	R136 Y140 C148 F149 T150	R136-R138 VanDerWaalsContact C-N 3.27Å; R136-R138 HydrophobicContact CB-CG 4.49Å; R136-R138 PolarHBondContact O-N 3.46Å; R138-Y140 PolarHBondContact O-N 3.16Å; R138-C148 HydrophobicContact CB-CB 3.66Å; R138-C148 WeakPolarHBondContact CD-O 3.36Å; R138-C148 HydrophobicContact CG-CB 4.47Å; R138-F149 CarbonylContact C-O 3.44Å; R138-F149 WeakPolarHBondContact CA-O 3.35Å; R138-T150 HydrophobicContact CG-CG2 3.69Å
139	S	62.7	Low	59.1	Low	83 Å²	83	66.7 Å²	66.7	58%	0.58	35%	0.347	S	S	*	.			trans	-65.3	-6.6	-171.8	-38.5	0	0	0	0	113.8	F149	S139-F149 PolarHBondContact N-O 3.45Å
140	Y	63.7	Low	59.7	Low	90 Å²	90	71 Å²	71	35%	0.353	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	101.3	-174.5	-57.4	-80.4	0	0	0	110.6	R138 C148 F149 N152 L155	R138-Y140 PolarHBondContact O-N 3.16Å; Y140-C148 CarbonylContact O-C 3.58Å; Y140-C148 WeakPolarHBondContact O-CA 3.31Å; Y140-F149 PolarHBondContact N-O 2.95Å; Y140-F149 PolarHBondContact O-N 2.99Å; Y140-N152 HydrophobicContact CD1-CB 3.77Å; Y140-N152 HydrophobicContact CD2-CB 4.42Å; Y140-N152 HydrophobicContact CE1-CB 3.43Å; Y140-N152 VanDerWaalsContact CE1-CB 3.43Å; Y140-N152 HydrophobicContact CE2-CB 4.11Å; Y140-N152 HydrophobicContact CG-CB 4.24Å; Y140-L155 HydrophobicContact CD1-CD2 4.42Å
141	S	67.8	Low	60.5	Low	65 Å²	65	71.5 Å²	71.5	46%	0.455	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.9	177.3	55.3	0	0	0	0	112	P143 K147 L155	S141-P143 WeakPolarHBondContact O-CD 3.45Å; S141-K147 CarbonylContact C-O 3.58Å; S141-K147 WeakPolarHBondContact CA-O 3.5Å; S141-L155 VanDerWaalsContact C-CD1 3.44Å; S141-L155 WeakPolarHBondContact O-CD1 3.37Å
142	C	71.8	Confident	61.5	Low	3 Å²	3	73.3 Å²	73.3	2%	0.02	39%	0.389	C	S	.	.			trans	-72	123.9	172.2	175.5	0	0	0	0	111.5	Q144 C145 A146 K147 L155 H158 M159 H162	C142-Q144 PolarHBondContact O-N 3.49Å; C142-Q144 PolarHBondContact SG-N 3.14Å; C142-C145 PolarHBondContact SG-N 3.05Å; C142-A146 WeakPolarHBondContact O-CA 3.44Å; C142-A146 PolarHBondContact O-N 2.98Å; C142-K147 HydrophobicContact CB-CB 4.49Å; C142-K147 PolarHBondContact N-O 2.9Å; C142-L155 HydrophobicContact CB-CD1 4.11Å; C142-H158 VanDerWaalsContact CB-NE2 3.28Å; C142-H158 WeakPolarHBondContact CB-NE2 3.35Å; C142-H158 PolarHBondContact SG-NE2 2.83Å; C142-M159 HydrophobicContact CB-CE 3.73Å; C142-H162 PolarHBondContact SG-CD2 3.38Å; C142-H162 PolarHBondContact SG-NE2 2.91Å
143	P	66.9	Low	62.4	Low	119 Å²	119	74.5 Å²	74.5	77%	0.773	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.4	177.5	23.7	-31.1	0	0	0	113.4	S141	S141-P143 WeakPolarHBondContact O-CD 3.45Å
144	Q	64.8	Low	63.6	Low	136 Å²	136	73 Å²	73	64%	0.636	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-23.2	-175.8	-166.5	173.4	-16	0	0	114.8	C142 H162	C142-Q144 PolarHBondContact O-N 3.49Å; C142-Q144 PolarHBondContact SG-N 3.14Å; Q144-H162 PolarHBondContact NE2-ND1 3.1Å; Q144-H162 VanDerWaalsContact OE1-CB 3.23Å; Q144-H162 PolarHBondContact OE1-ND1 2.87Å
145	C	70.5	Confident	64.9	Low	45 Å²	45	68.3 Å²	68.3	30%	0.304	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.3	5.1	177	73.1	0	0	0	0	115.4	C142 K147 H158 H162	C142-C145 PolarHBondContact SG-N 3.05Å; C145-K147 PolarHBondContact O-N 3.47Å; C145-K147 VanDerWaalsContact SG-CG 3.54Å; C145-H158 PolarHBondContact SG-CE1 3.13Å; C145-H158 PolarHBondContact SG-NE2 2.97Å; C145-H162 PolarHBondContact SG-NE2 3.05Å
146	A	66.8	Low	66.3	Low	15 Å²	15	70.7 Å²	70.7	12%	0.124	38%	0.377	C	S	.	.			trans	55.8	14.6	-178.9	0	0	0	0	0	115	E124 N127 C142 C148	E124-A146 HydrophobicContact CB-CB 4.25Å; E124-A146 HydrophobicContact CG-CB 4.03Å; N127-A146 HydrophobicContact CB-CB 4.33Å; N127-A146 WeakPolarHBondContact CB-O 3.37Å; N127-A146 VanDerWaalsContact ND2-CB 3.31Å; N127-A146 WeakPolarHBondContact ND2-CB 3.39Å; N127-A146 PolarHBondContact ND2-O 3.37Å; C142-A146 WeakPolarHBondContact O-CA 3.44Å; C142-A146 PolarHBondContact O-N 2.98Å; A146-C148 PolarHBondContact O-SG 2.91Å
147	K	65	Low	67.4	Low	119 Å²	119	67.4 Å²	67.4	52%	0.517	37%	0.368	S	S	.	.			trans	-66.4	136	171.1	-78.1	-179.7	-176.7	174.3	0	109.8	S141 C142 C145 F149	S141-K147 CarbonylContact C-O 3.58Å; S141-K147 WeakPolarHBondContact CA-O 3.5Å; C142-K147 HydrophobicContact CB-CB 4.49Å; C142-K147 PolarHBondContact N-O 2.9Å; C145-K147 PolarHBondContact O-N 3.47Å; C145-K147 VanDerWaalsContact SG-CG 3.54Å; K147-F149 HydrophobicContact CB-CE2 3.77Å; K147-F149 HydrophobicContact CB-CZ 4.04Å; K147-F149 WeakPolarHBondContact O-CD2 3.33Å; K147-F149 WeakPolarHBondContact O-CE2 3.42Å
148	C	65.4	Low	68.6	Low	23 Å²	23	62.7 Å²	62.7	16%	0.155	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.1	-174.9	-58.8	0	0	0	0	110.8	N131 R138 Y140 A146	N131-C148 VanDerWaalsContact ND2-CB 3.34Å; N131-C148 WeakPolarHBondContact ND2-CB 3.26Å; N131-C148 PolarHBondContact ND2-SG 2.82Å; N131-C148 VanDerWaalsContact OD1-CB 3.29Å; N131-C148 WeakPolarHBondContact OD1-CB 3.31Å; R138-C148 HydrophobicContact CB-CB 3.66Å; R138-C148 WeakPolarHBondContact CD-O 3.36Å; R138-C148 HydrophobicContact CG-CB 4.47Å; Y140-C148 CarbonylContact O-C 3.58Å; Y140-C148 WeakPolarHBondContact O-CA 3.31Å; A146-C148 PolarHBondContact O-SG 2.91Å
149	F	68.1	Low	69.7	Low	46 Å²	46	62.3 Å²	62.3	20%	0.202	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.4	-173.5	-63.3	-91	0	0	0	110.2	R138 S139 Y140 K147 S151 L155 H158	R138-F149 CarbonylContact C-O 3.44Å; R138-F149 WeakPolarHBondContact CA-O 3.35Å; S139-F149 PolarHBondContact N-O 3.45Å; Y140-F149 PolarHBondContact N-O 2.95Å; Y140-F149 PolarHBondContact O-N 2.99Å; K147-F149 HydrophobicContact CB-CE2 3.77Å; K147-F149 HydrophobicContact CB-CZ 4.04Å; K147-F149 WeakPolarHBondContact O-CD2 3.33Å; K147-F149 WeakPolarHBondContact O-CE2 3.42Å; F149-S151 PolarHBondContact O-N 3.28Å; F149-L155 HydrophobicContact CB-CB 4.38Å; F149-L155 HydrophobicContact CD2-CB 4.22Å; F149-L155 HydrophobicContact CD2-CD1 3.69Å; F149-L155 HydrophobicContact CE2-CD1 4.11Å; F149-L155 HydrophobicContact CG-CB 4.42Å; F149-H158 HydrophobicContact CD1-CB 4.45Å; F149-H158 HydrophobicContact CD2-CB 4.48Å; F149-H158 HydrophobicContact CE1-CB 3.63Å; F149-H158 AromaticContact CE1-CG 4Å; F149-H158 HydrophobicContact CE2-CB 3.68Å; F149-H158 AromaticContact CE2-CD2 3.26Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.29Å; F149-H158 AromaticContact CE2-CG 3.43Å; F149-H158 VanDerWaalsContact CE2-CG 3.43Å; F149-H158 AromaticContact CE2-NE2 3.91Å; F149-H158 HydrophobicContact CZ-CB 3.21Å; F149-H158 AromaticContact CZ-CD2 3.45Å; F149-H158 VanDerWaalsContact CZ-CD2 3.45Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.32Å; F149-H158 AromaticContact CZ-CG 3.08Å; F149-H158 AromaticContact CZ-ND1 3.55Å
150	T	69.6	Low	70.3	Confident	95 Å²	95	61 Å²	61	58%	0.583	33%	0.331	S	S	*	.	S	Bend	trans	-76.4	-2.5	178.5	55.2	0	0	0	0	113.4	R138	R138-T150 HydrophobicContact CG-CG2 3.69Å
151	S	70.5	Confident	70.4	Confident	42 Å²	42	61.4 Å²	61.4	29%	0.294	34%	0.339	S	S	.	.	S	Bend	trans	-154.3	150.2	177.9	67.1	0	0	0	0	111.1	F149 S153 G154 L155	F149-S151 PolarHBondContact O-N 3.28Å; S151-S153 PolarHBondContact O-N 3.05Å; S151-S153 PolarHBondContact OG-OG 3.46Å; S151-G154 PolarHBondContact O-N 3.45Å; S151-G154 PolarHBondContact OG-N 3.39Å; S151-L155 PolarHBondContact O-N 2.84Å; S151-L155 VanDerWaalsContact O-N 3.17Å
152	N	74.9	Confident	70.6	Confident	68 Å²	68	60.5 Å²	60.5	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-59.8	-36.7	175.9	-163.1	15.3	0	0	0	111.1	Y140 G154 L155 K156	Y140-N152 HydrophobicContact CD1-CB 3.77Å; Y140-N152 HydrophobicContact CD2-CB 4.42Å; Y140-N152 HydrophobicContact CE1-CB 3.43Å; Y140-N152 VanDerWaalsContact CE1-CB 3.43Å; Y140-N152 HydrophobicContact CE2-CB 4.11Å; Y140-N152 HydrophobicContact CG-CB 4.24Å; N152-G154 VanDerWaalsContact C-N 3.27Å; N152-G154 PolarHBondContact O-N 3.39Å; N152-L155 WeakPolarHBondContact O-CB 3.42Å; N152-L155 PolarHBondContact O-N 3.49Å; N152-L155 VanDerWaalsContact O-N 3.13Å; N152-K156 PolarHBondContact O-N 3.43Å
153	S	73.2	Confident	70	Confident	75 Å²	75	63.7 Å²	63.7	52%	0.524	35%	0.354	S	S	.	.	H	α-helix	trans	-58.7	-38.6	175	72.4	0	0	0	0	112.4	S151 Q157	S151-S153 PolarHBondContact O-N 3.05Å; S151-S153 PolarHBondContact OG-OG 3.46Å; S153-Q157 VanDerWaalsContact O-CB 3.25Å; S153-Q157 WeakPolarHBondContact O-CB 3.48Å; S153-Q157 PolarHBondContact O-N 2.84Å
154	G	75.2	Confident	69.7	Low	14 Å²	14	62.9 Å²	62.9	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-68	-38.5	175	0	0	0	0	0	112.6	S151 N152 H158	S151-G154 PolarHBondContact O-N 3.45Å; S151-G154 PolarHBondContact OG-N 3.39Å; N152-G154 VanDerWaalsContact C-N 3.27Å; N152-G154 PolarHBondContact O-N 3.39Å; G154-H158 VanDerWaalsContact O-CB 3.27Å; G154-H158 WeakPolarHBondContact O-CB 3.43Å; G154-H158 PolarHBondContact O-N 3.13Å
155	L	76.5	Confident	69	Low	25 Å²	25	60.2 Å²	60.2	13%	0.131	34%	0.338	C	S	.	.	H	α-helix	trans	-66.2	-50.8	174.4	-177.4	71.6	0	0	0	111.8	Y140 S141 C142 F149 S151 N152 Q157 H158 M159	Y140-L155 HydrophobicContact CD1-CD2 4.42Å; S141-L155 VanDerWaalsContact C-CD1 3.44Å; S141-L155 WeakPolarHBondContact O-CD1 3.37Å; C142-L155 HydrophobicContact CB-CD1 4.11Å; F149-L155 HydrophobicContact CB-CB 4.38Å; F149-L155 HydrophobicContact CD2-CB 4.22Å; F149-L155 HydrophobicContact CD2-CD1 3.69Å; F149-L155 HydrophobicContact CE2-CD1 4.11Å; F149-L155 HydrophobicContact CG-CB 4.42Å; S151-L155 PolarHBondContact O-N 2.84Å; S151-L155 VanDerWaalsContact O-N 3.17Å; N152-L155 WeakPolarHBondContact O-CB 3.42Å; N152-L155 PolarHBondContact O-N 3.49Å; N152-L155 VanDerWaalsContact O-N 3.13Å; L155-Q157 VanDerWaalsContact C-N 3.29Å; L155-Q157 PolarHBondContact O-N 3.13Å; L155-H158 WeakPolarHBondContact O-CA 3.29Å; L155-H158 WeakPolarHBondContact O-CB 3.43Å; L155-H158 PolarHBondContact O-N 2.94Å; L155-M159 HydrophobicContact CD1-CE 3.13Å; L155-M159 HydrophobicContact CD2-CE 4.38Å; L155-M159 HydrophobicContact CG-CE 3.55Å; L155-M159 WeakPolarHBondContact O-CG 3.41Å; L155-M159 PolarHBondContact O-N 2.98Å
156	K	72.8	Confident	68.8	Low	108 Å²	108	63.4 Å²	63.4	47%	0.47	35%	0.346	S	S	.	.	H	α-helix	trans	-54.7	-46.2	176.2	-73.8	-168.1	176.4	-167	0	110.8	N152 H158 M159 E544	N152-K156 PolarHBondContact O-N 3.43Å; K156-H158 VanDerWaalsContact C-N 3.32Å; K156-H158 PolarHBondContact O-N 3.3Å; K156-M159 PolarHBondContact O-N 3.38Å; K156-E544 IonicContact NZ-OE2 3.52Å; K156-E544 PolarHBondContact NZ-OE2 2.73Å; K156-E544 VanDerWaalsContact NZ-OE2 3.12Å
157	Q	68.3	Low	68.4	Low	76 Å²	76	65.2 Å²	65.2	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-34.8	176.4	-177.1	175.5	68.1	0	0	113.1	S153 L155 H160 Q179	S153-Q157 VanDerWaalsContact O-CB 3.25Å; S153-Q157 WeakPolarHBondContact O-CB 3.48Å; S153-Q157 PolarHBondContact O-N 2.84Å; L155-Q157 VanDerWaalsContact C-N 3.29Å; L155-Q157 PolarHBondContact O-N 3.13Å; Q157-H160 WeakPolarHBondContact O-CB 3.4Å; Q157-Q179 HydrophobicContact CG-CG 3.75Å; Q157-Q179 VanDerWaalsContact NE2-CD 3.27Å; Q157-Q179 VanDerWaalsContact NE2-CG 3.29Å
158	H	75.7	Confident	68.6	Low	10 Å²	10	62.7 Å²	62.7	5%	0.046	35%	0.346	C	S	.	.	H	α-helix	trans	-69.6	-33.1	176.3	165.9	65.6	0	0	0	112.9	C142 C145 F149 G154 L155 K156 H160 I161 H162	C142-H158 VanDerWaalsContact CB-NE2 3.28Å; C142-H158 WeakPolarHBondContact CB-NE2 3.35Å; C142-H158 PolarHBondContact SG-NE2 2.83Å; C145-H158 PolarHBondContact SG-CE1 3.13Å; C145-H158 PolarHBondContact SG-NE2 2.97Å; F149-H158 HydrophobicContact CD1-CB 4.45Å; F149-H158 HydrophobicContact CD2-CB 4.48Å; F149-H158 HydrophobicContact CE1-CB 3.63Å; F149-H158 AromaticContact CE1-CG 4Å; F149-H158 HydrophobicContact CE2-CB 3.68Å; F149-H158 AromaticContact CE2-CD2 3.26Å; F149-H158 WeakPolarHBondContact CE2-CD2 3.29Å; F149-H158 AromaticContact CE2-CG 3.43Å; F149-H158 VanDerWaalsContact CE2-CG 3.43Å; F149-H158 AromaticContact CE2-NE2 3.91Å; F149-H158 HydrophobicContact CZ-CB 3.21Å; F149-H158 AromaticContact CZ-CD2 3.45Å; F149-H158 VanDerWaalsContact CZ-CD2 3.45Å; F149-H158 WeakPolarHBondContact CZ-CD2 3.32Å; F149-H158 AromaticContact CZ-CG 3.08Å; F149-H158 AromaticContact CZ-ND1 3.55Å; G154-H158 VanDerWaalsContact O-CB 3.27Å; G154-H158 WeakPolarHBondContact O-CB 3.43Å; G154-H158 PolarHBondContact O-N 3.13Å; L155-H158 WeakPolarHBondContact O-CA 3.29Å; L155-H158 WeakPolarHBondContact O-CB 3.43Å; L155-H158 PolarHBondContact O-N 2.94Å; K156-H158 VanDerWaalsContact C-N 3.32Å; K156-H158 PolarHBondContact O-N 3.3Å; H158-H160 PolarHBondContact O-N 3.33Å; H158-H160 VanDerWaalsContact O-N 3.13Å; H158-I161 VanDerWaalsContact O-CB 3.3Å; H158-I161 WeakPolarHBondContact O-CB 3.37Å; H158-I161 PolarHBondContact O-N 3.48Å; H158-H162 AromaticContact CE1-CD2 3.92Å; H158-H162 AromaticContact CE1-NE2 3.5Å; H158-H162 AromaticContact NE2-CD2 3.62Å; H158-H162 AromaticContact NE2-NE2 3.27Å; H158-H162 PolarHBondContact NE2-NE2 3.14Å
159	M	74.2	Confident	68.3	Low	51 Å²	51	64.9 Å²	64.9	25%	0.251	36%	0.359	S	S	.	.	H	α-helix	trans	-58.4	-25.8	176.8	-66.1	-48.9	134	0	0	113.6	C142 L155 K156 I161 H162 A163	C142-M159 HydrophobicContact CB-CE 3.73Å; L155-M159 HydrophobicContact CD1-CE 3.13Å; L155-M159 HydrophobicContact CD2-CE 4.38Å; L155-M159 HydrophobicContact CG-CE 3.55Å; L155-M159 WeakPolarHBondContact O-CG 3.41Å; L155-M159 PolarHBondContact O-N 2.98Å; K156-M159 PolarHBondContact O-N 3.38Å; M159-I161 PolarHBondContact O-N 3.15Å; M159-H162 WeakPolarHBondContact O-CB 3.42Å; M159-H162 PolarHBondContact O-N 3.47Å; M159-A163 PolarHBondContact O-N 3.34Å
160	H	73.8	Confident	68.3	Low	55 Å²	55	62.7 Å²	62.7	26%	0.255	35%	0.349	S	S	.	.	H	α-helix	trans	-59.6	-26.6	173	-66.3	-35.7	0	0	0	113.6	Q157 H158 S164 F165 T178	Q157-H160 WeakPolarHBondContact O-CB 3.4Å; H158-H160 PolarHBondContact O-N 3.33Å; H158-H160 VanDerWaalsContact O-N 3.13Å; H160-S164 PolarHBondContact O-N 2.98Å; H160-F165 WeakPolarHBondContact CB-O 3.36Å; H160-F165 AromaticContact ND1-CD1 3.64Å; H160-F165 PolarHBondContact O-N 2.92Å; H160-T178 HydrophobicContact CB-CG2 4.08Å
161	I	67.3	Low	68.1	Low	100 Å²	100	64.9 Å²	64.9	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-69.2	-38.5	174.9	-59.9	174.6	0	0	0	110.3	H158 M159 S164 T178	H158-I161 VanDerWaalsContact O-CB 3.3Å; H158-I161 WeakPolarHBondContact O-CB 3.37Å; H158-I161 PolarHBondContact O-N 3.48Å; M159-I161 PolarHBondContact O-N 3.15Å; I161-S164 PolarHBondContact O-N 3.42Å; I161-T178 HydrophobicContact CG1-CG2 4.18Å
162	H	70.4	Confident	67.6	Low	45 Å²	45	67.4 Å²	67.4	21%	0.208	37%	0.366	C	S	.	.	H	α-helix	trans	-74.2	-42.4	-179.8	-77.2	-58.7	0	0	0	113.1	C142 Q144 C145 H158 M159 S164	C142-H162 PolarHBondContact SG-CD2 3.38Å; C142-H162 PolarHBondContact SG-NE2 2.91Å; Q144-H162 PolarHBondContact NE2-ND1 3.1Å; Q144-H162 VanDerWaalsContact OE1-CB 3.23Å; Q144-H162 PolarHBondContact OE1-ND1 2.87Å; C145-H162 PolarHBondContact SG-NE2 3.05Å; H158-H162 AromaticContact CE1-CD2 3.92Å; H158-H162 AromaticContact CE1-NE2 3.5Å; H158-H162 AromaticContact NE2-CD2 3.62Å; H158-H162 AromaticContact NE2-NE2 3.27Å; H158-H162 PolarHBondContact NE2-NE2 3.14Å; M159-H162 WeakPolarHBondContact O-CB 3.42Å; M159-H162 PolarHBondContact O-N 3.47Å; H162-S164 PolarHBondContact O-N 3.42Å
163	A	60.5	Low	67.4	Low	70 Å²	70	66.2 Å²	66.2	58%	0.579	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	3.4	176.4	0	0	0	0	0	113.4	M159 F165	M159-A163 PolarHBondContact O-N 3.34Å; A163-F165 HydrophobicContact CB-CB 3.72Å; A163-F165 PolarHBondContact O-N 2.84Å
164	S	59.5	Low	67.1	Low	103 Å²	103	68 Å²	68	72%	0.72	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	21.8	-166.7	-63.3	0	0	0	0	113.2	H160 I161 H162	H160-S164 PolarHBondContact O-N 2.98Å; I161-S164 PolarHBondContact O-N 3.42Å; H162-S164 PolarHBondContact O-N 3.42Å
165	F	50.3	Low	66.7	Low	80 Å²	80	72.4 Å²	72.4	35%	0.351	38%	0.378	S	S	.	.			trans	-93.4	114.2	-166.9	-175.6	-107.5	0	0	0	108.3	H160 A163 P167	H160-F165 WeakPolarHBondContact CB-O 3.36Å; H160-F165 AromaticContact ND1-CD1 3.64Å; H160-F165 PolarHBondContact O-N 2.92Å; A163-F165 HydrophobicContact CB-CB 3.72Å; A163-F165 PolarHBondContact O-N 2.84Å; F165-P167 HydrophobicContact CD1-CB 4.36Å; F165-P167 HydrophobicContact CD1-CG 4.11Å; F165-P167 HydrophobicContact CE1-CB 3.63Å; F165-P167 HydrophobicContact CE1-CG 3.79Å; F165-P167 HydrophobicContact CZ-CB 4.01Å; F165-P167 VanDerWaalsContact O-CD 3.31Å; F165-P167 WeakPolarHBondContact O-CD 3.33Å
166	K	67.7	Low	66.3	Low	112 Å²	112	72.9 Å²	72.9	49%	0.487	39%	0.385	S	S	.	.			trans	-119.5	81.2	-176.3	-71.4	171.4	176	179.9	0	108.9	F168 A176 Y177 T178	K166-F168 PolarHBondContact O-N 2.63Å; K166-A176 HydrophobicContact CB-CB 3.44Å; K166-A176 VanDerWaalsContact CB-CB 3.44Å; K166-A176 HydrophobicContact CD-CB 3.88Å; K166-A176 WeakPolarHBondContact CD-O 3.29Å; K166-A176 HydrophobicContact CG-CB 4.3Å; K166-Y177 CarbonylContact C-O 3.48Å; K166-Y177 VanDerWaalsContact C-O 3.31Å; K166-Y177 WeakPolarHBondContact CA-O 3.41Å; K166-T178 HydrophobicContact CG-CG2 3.86Å
167	P	58.6	Low	66.1	Low	53 Å²	53	70.1 Å²	70.1	34%	0.344	37%	0.372	S	S	.	.			trans	-65.4	-14.1	-171.2	21.6	-29.3	0	0	0	113.7	F165	F165-P167 HydrophobicContact CD1-CB 4.36Å; F165-P167 HydrophobicContact CD1-CG 4.11Å; F165-P167 HydrophobicContact CE1-CB 3.63Å; F165-P167 HydrophobicContact CE1-CG 3.79Å; F165-P167 HydrophobicContact CZ-CB 4.01Å; F165-P167 VanDerWaalsContact O-CD 3.31Å; F165-P167 WeakPolarHBondContact O-CD 3.33Å
168	F	67.2	Low	65.9	Low	65 Å²	65	67.7 Å²	67.7	29%	0.285	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	92.5	-174.7	-55.5	-70	0	0	0	110.6	K166 A176 Y177 F180 L183	K166-F168 PolarHBondContact O-N 2.63Å; F168-A176 CarbonylContact O-C 3.54Å; F168-A176 WeakPolarHBondContact O-CA 3.47Å; F168-Y177 WeakPolarHBondContact CB-O 3.31Å; F168-Y177 PolarHBondContact N-O 3.22Å; F168-Y177 VanDerWaalsContact N-O 3.13Å; F168-Y177 PolarHBondContact O-N 3.23Å; F168-F180 HydrophobicContact CD1-CB 3.95Å; F168-F180 AromaticContact CD1-CD2 3.76Å; F168-F180 HydrophobicContact CD1-CD2 3.76Å; F168-F180 HydrophobicContact CD1-CG 4.36Å; F168-F180 HydrophobicContact CD2-CB 4.38Å; F168-F180 HydrophobicContact CE1-CB 3.73Å; F168-F180 AromaticContact CE1-CD2 3.97Å; F168-F180 HydrophobicContact CE1-CD2 3.97Å; F168-F180 HydrophobicContact CE1-CG 4.29Å; F168-F180 HydrophobicContact CE2-CB 4.18Å; F168-F180 VanDerWaalsContact CE2-N 3.27Å; F168-F180 HydrophobicContact CG-CB 4.26Å; F168-F180 HydrophobicContact CZ-CB 3.84Å; F168-L183 HydrophobicContact CB-CB 3.93Å; F168-L183 HydrophobicContact CB-CD2 3.87Å; F168-L183 HydrophobicContact CB-CG 4.47Å
169	T	59.5	Low	65.6	Low	69 Å²	69	69.7 Å²	69.7	42%	0.423	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.6	175.9	54.7	0	0	0	0	110.9	A176	T169-A176 HydrophobicContact CG2-CB 3.96Å
170	C	69.6	Low	65.3	Low	1 Å²	1	72.8 Å²	72.8	1%	0.007	39%	0.385	C	S	.	.			trans	-87.3	122.7	170.6	-167.2	0	0	0	0	111.1	V172 H174 K175 L183 H186 H190	C170-V172 PolarHBondContact O-N 3.32Å; C170-H174 WeakPolarHBondContact O-CA 3.47Å; C170-H174 PolarHBondContact O-N 3.15Å; C170-K175 WeakPolarHBondContact CB-O 3.31Å; C170-K175 PolarHBondContact N-O 2.74Å; C170-L183 HydrophobicContact CB-CD1 3.71Å; C170-H186 VanDerWaalsContact CB-CD2 3.45Å; C170-H186 WeakPolarHBondContact CB-CD2 3.38Å; C170-H186 VanDerWaalsContact CB-NE2 3.31Å; C170-H186 WeakPolarHBondContact CB-NE2 3.07Å; C170-H186 PolarHBondContact SG-CD2 2.87Å; C170-H186 PolarHBondContact SG-NE2 3.2Å; C170-H186 VanDerWaalsContact SG-NE2 3.39Å; C170-H190 VanDerWaalsContact SG-CD2 3.55Å; C170-H190 PolarHBondContact SG-NE2 3.48Å
171	Q	64.9	Low	65.3	Low	140 Å²	140	73.4 Å²	73.4	65%	0.654	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.9	179.7	-68.7	170.4	-23.6	0	0	114.3
172	V	59	Low	65.6	Low	95 Å²	95	70.2 Å²	70.2	58%	0.576	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-40.4	-176.3	179.8	0	0	0	0	112.5	C170	C170-V172 PolarHBondContact O-N 3.32Å
173	C	70.4	Confident	65.8	Low	44 Å²	44	68.4 Å²	68.4	30%	0.297	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	11.6	179.7	79.4	0	0	0	0	113.8	K175 H186 H190	C173-K175 PolarHBondContact O-N 3Å; C173-K175 VanDerWaalsContact SG-CG 3.52Å; C173-H186 PolarHBondContact SG-CE1 3.4Å; C173-H186 PolarHBondContact SG-NE2 3.19Å; C173-H190 VanDerWaalsContact SG-CE1 3.55Å
174	H	67.6	Low	66.3	Low	113 Å²	113	67 Å²	67	52%	0.523	36%	0.356	S	S	.	.			trans	57.5	15.2	176.7	-52.6	-68.8	0	0	0	115.6	C170 A176	C170-H174 WeakPolarHBondContact O-CA 3.47Å; C170-H174 PolarHBondContact O-N 3.15Å; H174-A176 PolarHBondContact O-N 2.79Å
175	K	66.4	Low	66.8	Low	105 Å²	105	69.7 Å²	69.7	46%	0.457	35%	0.351	S	S	.	.			trans	-71.7	127.2	174	-75.2	-179.4	-175.5	-179	0	110.1	C170 C173 Y177	C170-K175 WeakPolarHBondContact CB-O 3.31Å; C170-K175 PolarHBondContact N-O 2.74Å; C173-K175 PolarHBondContact O-N 3Å; C173-K175 VanDerWaalsContact SG-CG 3.52Å; K175-Y177 HydrophobicContact CB-CE2 3.79Å; K175-Y177 WeakPolarHBondContact O-CD2 3.4Å; K175-Y177 VanDerWaalsContact O-CE2 3.25Å; K175-Y177 WeakPolarHBondContact O-CE2 3.44Å
176	A	67.9	Low	67.9	Low	35 Å²	35	66.3 Å²	66.3	29%	0.289	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	144.2	179.3	0	0	0	0	0	112	K166 F168 T169 H174	K166-A176 HydrophobicContact CB-CB 3.44Å; K166-A176 VanDerWaalsContact CB-CB 3.44Å; K166-A176 HydrophobicContact CD-CB 3.88Å; K166-A176 WeakPolarHBondContact CD-O 3.29Å; K166-A176 HydrophobicContact CG-CB 4.3Å; F168-A176 CarbonylContact O-C 3.54Å; F168-A176 WeakPolarHBondContact O-CA 3.47Å; T169-A176 HydrophobicContact CG2-CB 3.96Å; H174-A176 PolarHBondContact O-N 2.79Å
177	Y	68.7	Low	67.9	Low	50 Å²	50	65.4 Å²	65.4	20%	0.196	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.2	-176.9	-62.4	-85.1	0	0	0	111.1	K166 F168 K175 Q179 N182 L183 H186	K166-Y177 CarbonylContact C-O 3.48Å; K166-Y177 VanDerWaalsContact C-O 3.31Å; K166-Y177 WeakPolarHBondContact CA-O 3.41Å; F168-Y177 WeakPolarHBondContact CB-O 3.31Å; F168-Y177 PolarHBondContact N-O 3.22Å; F168-Y177 VanDerWaalsContact N-O 3.13Å; F168-Y177 PolarHBondContact O-N 3.23Å; K175-Y177 HydrophobicContact CB-CE2 3.79Å; K175-Y177 WeakPolarHBondContact O-CD2 3.4Å; K175-Y177 VanDerWaalsContact O-CE2 3.25Å; K175-Y177 WeakPolarHBondContact O-CE2 3.44Å; Y177-Q179 VanDerWaalsContact C-N 3.31Å; Y177-N182 HydrophobicContact CD1-CB 3.78Å; Y177-N182 HydrophobicContact CG-CB 4.22Å; Y177-L183 HydrophobicContact CD2-CB 4.1Å; Y177-L183 HydrophobicContact CD2-CD1 4.01Å; Y177-L183 HydrophobicContact CE2-CD1 4.31Å; Y177-L183 HydrophobicContact CG-CB 4.44Å; Y177-H186 HydrophobicContact CE1-CB 4.1Å; Y177-H186 HydrophobicContact CE2-CB 3.75Å; Y177-H186 AromaticContact CE2-CD2 3.34Å; Y177-H186 WeakPolarHBondContact CE2-CD2 3.43Å; Y177-H186 AromaticContact CE2-CG 3.51Å; Y177-H186 AromaticContact CE2-NE2 3.93Å; Y177-H186 VanDerWaalsContact CZ-CB 3.5Å; Y177-H186 AromaticContact CZ-CD2 3.7Å; Y177-H186 AromaticContact CZ-CG 3.38Å; Y177-H186 AromaticContact CZ-ND1 3.79Å; Y177-H186 WeakPolarHBondContact OH-CB 3.29Å; Y177-H186 PolarHBondContact OH-CD2 3.21Å; Y177-H186 PolarHBondContact OH-CE1 2.86Å; Y177-H186 VanDerWaalsContact OH-CE1 3.31Å; Y177-H186 PolarHBondContact OH-ND1 2.74Å
178	T	65	Low	68.4	Low	26 Å²	26	71.7 Å²	71.7	16%	0.16	35%	0.349	C	S	.	.	S	Bend	trans	-78.3	-14.5	175.8	53.2	0	0	0	0	113.4	H160 I161 K166	H160-T178 HydrophobicContact CB-CG2 4.08Å; I161-T178 HydrophobicContact CG1-CG2 4.18Å; K166-T178 HydrophobicContact CG-CG2 3.86Å
179	Q	68.1	Low	67.9	Low	51 Å²	51	72.8 Å²	72.8	24%	0.238	36%	0.357	C	S	.	.	S	Bend	trans	-137.1	139.8	-177.9	-49.3	-175.4	-10	0	0	111.1	Q157 Y177 S181 N182 L183	Q157-Q179 HydrophobicContact CG-CG 3.75Å; Q157-Q179 VanDerWaalsContact NE2-CD 3.27Å; Q157-Q179 VanDerWaalsContact NE2-CG 3.29Å; Y177-Q179 VanDerWaalsContact C-N 3.31Å; Q179-S181 VanDerWaalsContact C-N 3.31Å; Q179-S181 PolarHBondContact O-N 3.39Å; Q179-S181 PolarHBondContact OE1-OG 3.36Å; Q179-N182 HydrophobicContact CB-CB 4.41Å; Q179-N182 WeakPolarHBondContact O-CB 3.43Å; Q179-N182 PolarHBondContact O-N 2.86Å; Q179-N182 VanDerWaalsContact O-N 3.13Å; Q179-L183 PolarHBondContact O-N 3.26Å
180	F	69.8	Low	67.8	Low	117 Å²	117	71 Å²	71	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-37.1	177.5	-175.1	-107.6	0	0	0	112.6	F168 N182 L183 C184	F168-F180 HydrophobicContact CD1-CB 3.95Å; F168-F180 AromaticContact CD1-CD2 3.76Å; F168-F180 HydrophobicContact CD1-CD2 3.76Å; F168-F180 HydrophobicContact CD1-CG 4.36Å; F168-F180 HydrophobicContact CD2-CB 4.38Å; F168-F180 HydrophobicContact CE1-CB 3.73Å; F168-F180 AromaticContact CE1-CD2 3.97Å; F168-F180 HydrophobicContact CE1-CD2 3.97Å; F168-F180 HydrophobicContact CE1-CG 4.29Å; F168-F180 HydrophobicContact CE2-CB 4.18Å; F168-F180 VanDerWaalsContact CE2-N 3.27Å; F168-F180 HydrophobicContact CG-CB 4.26Å; F168-F180 HydrophobicContact CZ-CB 3.84Å; F180-N182 PolarHBondContact O-N 3.24Å; F180-L183 HydrophobicContact CD2-CD2 4.29Å; F180-L183 HydrophobicContact CE2-CD2 4.38Å; F180-L183 CarbonylContact O-C 3.59Å; F180-L183 WeakPolarHBondContact O-CB 3.41Å; F180-L183 PolarHBondContact O-N 3.44Å; F180-L183 VanDerWaalsContact O-N 3.09Å; F180-C184 WeakPolarHBondContact CE1-SG 3.36Å; F180-C184 VanDerWaalsContact CZ-SG 3.55Å; F180-C184 PolarHBondContact O-N 3.05Å
181	S	71.8	Confident	66.8	Low	67 Å²	67	77.9 Å²	77.9	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-56	-38	174.5	56.9	0	0	0	0	112.4	Q179 C184 R185	Q179-S181 VanDerWaalsContact C-N 3.31Å; Q179-S181 PolarHBondContact O-N 3.39Å; Q179-S181 PolarHBondContact OE1-OG 3.36Å; S181-C184 PolarHBondContact O-N 3.38Å; S181-R185 WeakPolarHBondContact O-CB 3.44Å; S181-R185 PolarHBondContact O-N 3.45Å
182	N	74.8	Confident	65.8	Low	34 Å²	34	81.2 Å²	81.2	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-71.1	-40.7	176	-70.3	-33.2	0	0	0	111.7	Y177 Q179 F180 R185 H186	Y177-N182 HydrophobicContact CD1-CB 3.78Å; Y177-N182 HydrophobicContact CG-CB 4.22Å; Q179-N182 HydrophobicContact CB-CB 4.41Å; Q179-N182 WeakPolarHBondContact O-CB 3.43Å; Q179-N182 PolarHBondContact O-N 2.86Å; Q179-N182 VanDerWaalsContact O-N 3.13Å; F180-N182 PolarHBondContact O-N 3.24Å; N182-R185 PolarHBondContact O-N 3.26Å; N182-R185 PolarHBondContact OD1-NH2 3.31Å; N182-H186 VanDerWaalsContact O-CB 3.24Å; N182-H186 WeakPolarHBondContact O-CB 3.48Å; N182-H186 PolarHBondContact O-N 3.09Å
183	L	73.4	Confident	64.9	Low	7 Å²	7	78.5 Å²	78.5	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-60.9	-46.3	170.9	174.4	63.3	0	0	0	111.2	F168 C170 Y177 Q179 F180 R185 H186 K187	F168-L183 HydrophobicContact CB-CB 3.93Å; F168-L183 HydrophobicContact CB-CD2 3.87Å; F168-L183 HydrophobicContact CB-CG 4.47Å; C170-L183 HydrophobicContact CB-CD1 3.71Å; Y177-L183 HydrophobicContact CD2-CB 4.1Å; Y177-L183 HydrophobicContact CD2-CD1 4.01Å; Y177-L183 HydrophobicContact CE2-CD1 4.31Å; Y177-L183 HydrophobicContact CG-CB 4.44Å; Q179-L183 PolarHBondContact O-N 3.26Å; F180-L183 HydrophobicContact CD2-CD2 4.29Å; F180-L183 HydrophobicContact CE2-CD2 4.38Å; F180-L183 CarbonylContact O-C 3.59Å; F180-L183 WeakPolarHBondContact O-CB 3.41Å; F180-L183 PolarHBondContact O-N 3.44Å; F180-L183 VanDerWaalsContact O-N 3.09Å; L183-R185 PolarHBondContact O-N 3.45Å; L183-H186 CarbonylContact O-C 3.31Å; L183-H186 WeakPolarHBondContact O-CB 3.48Å; L183-H186 PolarHBondContact O-N 3.02Å; L183-K187 HydrophobicContact CD1-CG 4.18Å; L183-K187 HydrophobicContact CG-CD 4.43Å; L183-K187 HydrophobicContact CG-CG 4.43Å; L183-K187 WeakPolarHBondContact O-CG 3.4Å; L183-K187 PolarHBondContact O-N 2.79Å
184	C	72.1	Confident	63.7	Low	41 Å²	41	88 Å²	88	28%	0.277	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-43.5	176.5	-75.6	0	0	0	0	112.2	F180 S181 H186 K187 R188	F180-C184 WeakPolarHBondContact CE1-SG 3.36Å; F180-C184 VanDerWaalsContact CZ-SG 3.55Å; F180-C184 PolarHBondContact O-N 3.05Å; S181-C184 PolarHBondContact O-N 3.38Å; C184-H186 VanDerWaalsContact C-N 3.32Å; C184-K187 PolarHBondContact O-N 3.17Å; C184-R188 WeakPolarHBondContact O-CG 3.33Å; C184-R188 PolarHBondContact O-N 2.79Å
185	R	69	Low	63	Low	159 Å²	159	90.4 Å²	90.4	60%	0.6	41%	0.406	S	S	*	.	H	α-helix	trans	-62	-41.9	174.2	179.1	170.5	58.9	168.6	-2.5	111.1	S181 N182 L183 R188 L189	S181-R185 WeakPolarHBondContact O-CB 3.44Å; S181-R185 PolarHBondContact O-N 3.45Å; N182-R185 PolarHBondContact O-N 3.26Å; N182-R185 PolarHBondContact OD1-NH2 3.31Å; L183-R185 PolarHBondContact O-N 3.45Å; R185-R188 WeakPolarHBondContact O-CB 3.42Å; R185-R188 PolarHBondContact O-N 3.24Å; R185-L189 PolarHBondContact O-N 2.83Å
186	H	74.2	Confident	62.6	Low	8 Å²	8	91.2 Å²	91.2	4%	0.037	41%	0.41	C	S	.	.	H	α-helix	trans	-65.5	-38.8	174.6	169	67.5	0	0	0	112.9	C170 C173 Y177 N182 L183 C184 R188 L189 H190	C170-H186 VanDerWaalsContact CB-CD2 3.45Å; C170-H186 WeakPolarHBondContact CB-CD2 3.38Å; C170-H186 VanDerWaalsContact CB-NE2 3.31Å; C170-H186 WeakPolarHBondContact CB-NE2 3.07Å; C170-H186 PolarHBondContact SG-CD2 2.87Å; C170-H186 PolarHBondContact SG-NE2 3.2Å; C170-H186 VanDerWaalsContact SG-NE2 3.39Å; C173-H186 PolarHBondContact SG-CE1 3.4Å; C173-H186 PolarHBondContact SG-NE2 3.19Å; Y177-H186 HydrophobicContact CE1-CB 4.1Å; Y177-H186 HydrophobicContact CE2-CB 3.75Å; Y177-H186 AromaticContact CE2-CD2 3.34Å; Y177-H186 WeakPolarHBondContact CE2-CD2 3.43Å; Y177-H186 AromaticContact CE2-CG 3.51Å; Y177-H186 AromaticContact CE2-NE2 3.93Å; Y177-H186 VanDerWaalsContact CZ-CB 3.5Å; Y177-H186 AromaticContact CZ-CD2 3.7Å; Y177-H186 AromaticContact CZ-CG 3.38Å; Y177-H186 AromaticContact CZ-ND1 3.79Å; Y177-H186 WeakPolarHBondContact OH-CB 3.29Å; Y177-H186 PolarHBondContact OH-CD2 3.21Å; Y177-H186 PolarHBondContact OH-CE1 2.86Å; Y177-H186 VanDerWaalsContact OH-CE1 3.31Å; Y177-H186 PolarHBondContact OH-ND1 2.74Å; N182-H186 VanDerWaalsContact O-CB 3.24Å; N182-H186 WeakPolarHBondContact O-CB 3.48Å; N182-H186 PolarHBondContact O-N 3.09Å; L183-H186 CarbonylContact O-C 3.31Å; L183-H186 WeakPolarHBondContact O-CB 3.48Å; L183-H186 PolarHBondContact O-N 3.02Å; C184-H186 VanDerWaalsContact C-N 3.32Å; H186-R188 PolarHBondContact O-N 3.04Å; H186-L189 CarbonylContact O-C 3.51Å; H186-L189 VanDerWaalsContact O-CA 3.24Å; H186-L189 WeakPolarHBondContact O-CA 3.39Å; H186-L189 WeakPolarHBondContact O-CB 3.41Å; H186-L189 PolarHBondContact O-N 3.11Å; H186-H190 AromaticContact CD2-NE2 3.57Å; H186-H190 AromaticContact CE1-CE1 3.67Å; H186-H190 AromaticContact CE1-NE2 3.52Å; H186-H190 AromaticContact NE2-CE1 3.5Å; H186-H190 PolarHBondContact NE2-CE1 2.79Å; H186-H190 AromaticContact NE2-NE2 2.98Å; H186-H190 PolarHBondContact NE2-NE2 3.39Å; H186-H190 PolarHBondContact O-N 3.2Å
187	K	67.6	Low	62	Low	93 Å²	93	91 Å²	91	40%	0.404	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-31.7	174.7	-75.8	-174.3	177.4	-171.6	0	112.2	L183 C184 L189 H190	L183-K187 HydrophobicContact CD1-CG 4.18Å; L183-K187 HydrophobicContact CG-CD 4.43Å; L183-K187 HydrophobicContact CG-CG 4.43Å; L183-K187 WeakPolarHBondContact O-CG 3.4Å; L183-K187 PolarHBondContact O-N 2.79Å; C184-K187 PolarHBondContact O-N 3.17Å; K187-L189 PolarHBondContact O-N 3.47Å; K187-H190 PolarHBondContact O-N 3.16Å
188	R	70.5	Confident	61.5	Low	186 Å²	186	92.9 Å²	92.9	70%	0.702	42%	0.419	S	S	*	.	H	α-helix	trans	-67.4	-26.1	170.3	-61.3	172.5	-167	-178.4	2.7	112.3	C184 R185 H186 K191	C184-R188 WeakPolarHBondContact O-CG 3.33Å; C184-R188 PolarHBondContact O-N 2.79Å; R185-R188 WeakPolarHBondContact O-CB 3.42Å; R185-R188 PolarHBondContact O-N 3.24Å; H186-R188 PolarHBondContact O-N 3.04Å; R188-K191 WeakPolarHBondContact O-CB 3.15Å; R188-K191 PolarHBondContact O-N 3.19Å
189	L	54.9	Low	61.6	Low	87 Å²	87	91.7 Å²	91.7	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-78.4	-19.6	172.7	-58.1	175.5	0	0	0	112.6	R185 H186 K187 K191 R192 C193	R185-L189 PolarHBondContact O-N 2.83Å; H186-L189 CarbonylContact O-C 3.51Å; H186-L189 VanDerWaalsContact O-CA 3.24Å; H186-L189 WeakPolarHBondContact O-CA 3.39Å; H186-L189 WeakPolarHBondContact O-CB 3.41Å; H186-L189 PolarHBondContact O-N 3.11Å; K187-L189 PolarHBondContact O-N 3.47Å; L189-K191 PolarHBondContact O-N 3.01Å; L189-R192 CarbonylContact O-C 3.51Å; L189-R192 VanDerWaalsContact O-CA 3.25Å; L189-R192 WeakPolarHBondContact O-CA 2.95Å; L189-R192 PolarHBondContact O-N 2.77Å; L189-C193 HydrophobicContact CB-CB 4.27Å; L189-C193 WeakPolarHBondContact O-CA 3.36Å; L189-C193 WeakPolarHBondContact O-CB 3.48Å; L189-C193 PolarHBondContact O-N 3.32Å
190	H	57.7	Low	61.3	Low	33 Å²	33	96.9 Å²	96.9	15%	0.153	44%	0.44	C	S	.	.	H	α-helix	trans	-61.2	-25.1	167.4	-73.5	-53.2	0	0	0	113	C170 C173 H186 K187 R192	C170-H190 VanDerWaalsContact SG-CD2 3.55Å; C170-H190 PolarHBondContact SG-NE2 3.48Å; C173-H190 VanDerWaalsContact SG-CE1 3.55Å; H186-H190 AromaticContact CD2-NE2 3.57Å; H186-H190 AromaticContact CE1-CE1 3.67Å; H186-H190 AromaticContact CE1-NE2 3.52Å; H186-H190 AromaticContact NE2-CE1 3.5Å; H186-H190 PolarHBondContact NE2-CE1 2.79Å; H186-H190 AromaticContact NE2-NE2 2.98Å; H186-H190 PolarHBondContact NE2-NE2 3.39Å; H186-H190 PolarHBondContact O-N 3.2Å; K187-H190 PolarHBondContact O-N 3.16Å; H190-R192 PolarHBondContact O-N 2.96Å; H190-R192 VanDerWaalsContact O-N 3.13Å
191	K	49.3	Very low	60.7	Low	144 Å²	144	95.3 Å²	95.3	63%	0.626	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	3.3	167.2	-54.2	-171.7	175.7	-169.9	0	113.1	R188 L189 N208	R188-K191 WeakPolarHBondContact O-CB 3.15Å; R188-K191 PolarHBondContact O-N 3.19Å; L189-K191 PolarHBondContact O-N 3.01Å; K191-N208 WeakPolarHBondContact O-CB 3.44Å
192	R	43.5	Very low	60.6	Low	211 Å²	211	94.2 Å²	94.2	80%	0.796	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.4	10.8	-175.5	-68	-170	174.3	157.4	-3	115.8	L189 H190	L189-R192 CarbonylContact O-C 3.51Å; L189-R192 VanDerWaalsContact O-CA 3.25Å; L189-R192 WeakPolarHBondContact O-CA 2.95Å; L189-R192 PolarHBondContact O-N 2.77Å; H190-R192 PolarHBondContact O-N 2.96Å; H190-R192 VanDerWaalsContact O-N 3.13Å
193	C	39.7	Very low	60.2	Low	38 Å²	38	95 Å²	95	26%	0.257	45%	0.452	S	S	.	.			trans	-124	103.1	-162.6	-167.7	0	0	0	0	114.8	L189 Q195	L189-C193 HydrophobicContact CB-CB 4.27Å; L189-C193 WeakPolarHBondContact O-CA 3.36Å; L189-C193 WeakPolarHBondContact O-CB 3.48Å; L189-C193 PolarHBondContact O-N 3.32Å; C193-Q195 PolarHBondContact O-N 3.2Å
194	R	46.7	Very low	59.9	Low	242 Å²	242	100.3 Å²	100.3	91%	0.913	48%	0.476	S	S	*	.	S	Bend	trans	55.2	-12.5	141.1	-72.7	-172.8	175.6	137.9	-0.1	123.3
195	Q	51.8	Low	59.9	Low	165 Å²	165	104.1 Å²	104.1	77%	0.771	49%	0.49	S	S	*	.	S	Bend	trans	-103.9	114.3	149.8	-80	175.5	2.2	0	0	104.9	C193 P197	C193-Q195 PolarHBondContact O-N 3.2Å; Q195-P197 WeakPolarHBondContact O-CD 3.28Å
196	K	57.9	Low	59.7	Low	121 Å²	121	98.1 Å²	98.1	53%	0.526	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-68.2	116.6	179.5	-68.9	178.7	-165.7	164.3	0	106.6	D198 E205 F206	K196-D198 PolarHBondContact O-N 3.4Å; K196-E205 HydrophobicContact CB-CB 3.76Å; K196-E205 HydrophobicContact CB-CG 4.31Å; K196-E205 HydrophobicContact CD-CB 3.64Å; K196-E205 HydrophobicContact CD-CG 4.32Å; K196-E205 WeakPolarHBondContact CD-OE2 3.44Å; K196-E205 HydrophobicContact CG-CB 4.42Å; K196-E205 IonicContact NZ-OE2 2.85Å; K196-E205 PolarHBondContact NZ-OE2 3.48Å; K196-F206 WeakPolarHBondContact CA-O 3.26Å; K196-F206 VanDerWaalsContact CB-O 3.31Å; K196-F206 WeakPolarHBondContact CB-O 3.38Å
197	P	56	Low	59.3	Low	30 Å²	30	101.5 Å²	101.5	20%	0.195	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-55.7	125.3	174.4	16.6	-30.1	0	0	0	109.6	Q195 F206 N208 T209 L212	Q195-P197 WeakPolarHBondContact O-CD 3.28Å; P197-F206 WeakPolarHBondContact CD-O 3.44Å; P197-F206 HydrophobicContact CG-CB 4.31Å; P197-F206 WeakPolarHBondContact O-CB 3.38Å; P197-F206 WeakPolarHBondContact O-CD2 3.43Å; P197-F206 PolarHBondContact O-N 2.98Å; P197-N208 VanDerWaalsContact CG-C 3.5Å; P197-T209 HydrophobicContact CG-CG2 4.47Å; P197-L212 HydrophobicContact CB-CB 4.16Å; P197-L212 HydrophobicContact CB-CD2 3.73Å; P197-L212 HydrophobicContact CG-CB 4.39Å
198	D	58.5	Low	58.8	Low	91 Å²	91	99 Å²	99	49%	0.487	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-97.6	148.3	177.6	59.1	-28.1	0	0	0	110.8	K196 H204	K196-D198 PolarHBondContact O-N 3.4Å; D198-H204 CarbonylContact C-O 3.15Å; D198-H204 VanDerWaalsContact CA-O 3.24Å; D198-H204 WeakPolarHBondContact CA-O 3.1Å
199	C	67	Low	58.1	Low	0 Å²	0	93 Å²	93	0%	0	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-82.5	117	173.1	177.5	0	0	0	0	110	S201 C202 G203 H204 F206 L212 H215	C199-S201 PolarHBondContact O-N 3.49Å; C199-S201 PolarHBondContact SG-N 3.12Å; C199-C202 WeakPolarHBondContact CB-SG 3.06Å; C199-C202 PolarHBondContact O-N 2.79Å; C199-C202 VanDerWaalsContact O-N 3.13Å; C199-G203 WeakPolarHBondContact O-CA 3.27Å; C199-G203 PolarHBondContact O-N 3.46Å; C199-H204 PolarHBondContact N-O 3.27Å; C199-F206 HydrophobicContact CB-CE2 3.92Å; C199-L212 HydrophobicContact CB-CD1 3.63Å; C199-H215 VanDerWaalsContact SG-CD2 3.52Å; C199-H215 PolarHBondContact SG-NE2 3.41Å
200	L	61.2	Low	58.5	Low	161 Å²	161	96.8 Å²	96.8	84%	0.843	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-14	177.3	-73.2	104.4	0	0	0	114.4
201	S	58.1	Low	58.9	Low	83 Å²	83	97 Å²	97	58%	0.58	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-19.4	178.7	-57.8	0	0	0	0	114.4	C199	C199-S201 PolarHBondContact O-N 3.49Å; C199-S201 PolarHBondContact SG-N 3.12Å
202	C	69.1	Low	59.6	Low	45 Å²	45	91.2 Å²	91.2	30%	0.304	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	-1.3	-178.4	70	0	0	0	0	115.2	C199 H204 H215 C221	C199-C202 WeakPolarHBondContact CB-SG 3.06Å; C199-C202 PolarHBondContact O-N 2.79Å; C199-C202 VanDerWaalsContact O-N 3.13Å; C202-H204 PolarHBondContact O-N 2.99Å; C202-H204 VanDerWaalsContact O-N 3.13Å; C202-H204 VanDerWaalsContact SG-CD2 3.5Å; C202-H215 PolarHBondContact SG-CE1 3.39Å; C202-H215 PolarHBondContact SG-NE2 3.06Å; C202-C221 HydrophobicContact CB-CB 4.33Å; C202-C221 VanDerWaalsContact CB-SG 3.59Å
203	G	66.4	Low	60.2	Low	51 Å²	51	85.8 Å²	85.8	53%	0.526	45%	0.449	S	S	.	.			trans	70.8	-1.1	178.7	0	0	0	0	0	115.9	C199 E205	C199-G203 WeakPolarHBondContact O-CA 3.27Å; C199-G203 PolarHBondContact O-N 3.46Å; G203-E205 PolarHBondContact O-N 3.07Å
204	H	66.5	Low	61.3	Low	118 Å²	118	89.4 Å²	89.4	55%	0.546	46%	0.46	S	S	.	.			trans	-66.6	130.6	-178.5	-79.8	-63.3	0	0	0	112.2	D198 C199 C202 F206	D198-H204 CarbonylContact C-O 3.15Å; D198-H204 VanDerWaalsContact CA-O 3.24Å; D198-H204 WeakPolarHBondContact CA-O 3.1Å; C199-H204 PolarHBondContact N-O 3.27Å; C202-H204 PolarHBondContact O-N 2.99Å; C202-H204 VanDerWaalsContact O-N 3.13Å; C202-H204 VanDerWaalsContact SG-CD2 3.5Å; H204-F206 HydrophobicContact CB-CE2 3.75Å; H204-F206 HydrophobicContact CB-CZ 3.72Å; H204-F206 WeakPolarHBondContact O-CD2 3.4Å; H204-F206 WeakPolarHBondContact O-CE2 3.39Å
205	E	71.7	Confident	62.2	Low	121 Å²	121	79 Å²	79	57%	0.565	42%	0.422	S	S	*	.	B	Isolated β-bridge	trans	-82.3	132.6	175.7	-63.6	-173.2	148.4	0	0	112	K196 G203	K196-E205 HydrophobicContact CB-CB 3.76Å; K196-E205 HydrophobicContact CB-CG 4.31Å; K196-E205 HydrophobicContact CD-CB 3.64Å; K196-E205 HydrophobicContact CD-CG 4.32Å; K196-E205 WeakPolarHBondContact CD-OE2 3.44Å; K196-E205 HydrophobicContact CG-CB 4.42Å; K196-E205 IonicContact NZ-OE2 2.85Å; K196-E205 PolarHBondContact NZ-OE2 3.48Å; G203-E205 PolarHBondContact O-N 3.07Å
206	F	66.6	Low	62.4	Low	33 Å²	33	74.1 Å²	74.1	15%	0.145	40%	0.399	C	S	.	.			trans	-114.9	148.1	-178.7	-66	-81.7	0	0	0	113	K196 P197 C199 H204 N208 S211 L212 H215	K196-F206 WeakPolarHBondContact CA-O 3.26Å; K196-F206 VanDerWaalsContact CB-O 3.31Å; K196-F206 WeakPolarHBondContact CB-O 3.38Å; P197-F206 WeakPolarHBondContact CD-O 3.44Å; P197-F206 HydrophobicContact CG-CB 4.31Å; P197-F206 WeakPolarHBondContact O-CB 3.38Å; P197-F206 WeakPolarHBondContact O-CD2 3.43Å; P197-F206 PolarHBondContact O-N 2.98Å; C199-F206 HydrophobicContact CB-CE2 3.92Å; H204-F206 HydrophobicContact CB-CE2 3.75Å; H204-F206 HydrophobicContact CB-CZ 3.72Å; H204-F206 WeakPolarHBondContact O-CD2 3.4Å; H204-F206 WeakPolarHBondContact O-CE2 3.39Å; F206-N208 PolarHBondContact O-N 3.25Å; F206-S211 WeakPolarHBondContact CD1-O 3.37Å; F206-L212 HydrophobicContact CB-CB 4.06Å; F206-L212 HydrophobicContact CD2-CB 3.84Å; F206-L212 HydrophobicContact CD2-CD1 3.61Å; F206-L212 HydrophobicContact CD2-CG 4.33Å; F206-L212 HydrophobicContact CE2-CD1 3.8Å; F206-L212 HydrophobicContact CG-CB 4.02Å; F206-H215 HydrophobicContact CD1-CB 4.25Å; F206-H215 HydrophobicContact CE1-CB 3.39Å; F206-H215 AromaticContact CE1-CG 3.74Å; F206-H215 HydrophobicContact CE2-CB 3.92Å; F206-H215 AromaticContact CE2-CD2 3.65Å; F206-H215 AromaticContact CE2-CG 3.7Å; F206-H215 HydrophobicContact CZ-CB 3.23Å; F206-H215 AromaticContact CZ-CD2 3.48Å; F206-H215 VanDerWaalsContact CZ-CD2 3.48Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.13Å; F206-H215 AromaticContact CZ-CE1 3.98Å; F206-H215 AromaticContact CZ-CG 3.05Å; F206-H215 AromaticContact CZ-ND1 3.41Å; F206-H215 WeakPolarHBondContact CZ-ND1 3.24Å
207	A	64.1	Low	61.9	Low	79 Å²	79	73.8 Å²	73.8	65%	0.653	41%	0.407	S	S	*	.	S	Bend	trans	-66.3	-21	-178.7	0	0	0	0	0	114.2
208	N	56.9	Low	61.6	Low	40 Å²	40	78.1 Å²	78.1	21%	0.214	43%	0.428	C	S	.	.	S	Bend	trans	-163.9	168.2	179	56.6	66	0	0	0	111.3	K191 P197 F206 Y210 S211 L212	K191-N208 WeakPolarHBondContact O-CB 3.44Å; P197-N208 VanDerWaalsContact CG-C 3.5Å; F206-N208 PolarHBondContact O-N 3.25Å; N208-Y210 PolarHBondContact O-N 3.32Å; N208-Y210 WeakPolarHBondContact OD1-CA 3.36Å; N208-Y210 VanDerWaalsContact OD1-CB 3.27Å; N208-Y210 WeakPolarHBondContact OD1-CB 3.23Å; N208-Y210 PolarHBondContact OD1-N 3.01Å; N208-S211 PolarHBondContact ND2-OG 2.99Å; N208-S211 PolarHBondContact O-N 3.47Å; N208-S211 VanDerWaalsContact O-N 3.16Å; N208-S211 PolarHBondContact OD1-N 3.12Å; N208-S211 PolarHBondContact OD1-OG 3.43Å; N208-L212 PolarHBondContact O-N 2.93Å
209	T	56.7	Low	61.3	Low	59 Å²	59	76.5 Å²	76.5	36%	0.362	42%	0.422	S	S	.	.	H	α-helix	trans	-62.7	-25.4	179.6	53.4	0	0	0	0	113.9	P197 L213	P197-T209 HydrophobicContact CG-CG2 4.47Å; T209-L213 WeakPolarHBondContact O-CB 3.27Å; T209-L213 WeakPolarHBondContact O-CD1 3.5Å; T209-L213 VanDerWaalsContact O-CG 3.31Å; T209-L213 WeakPolarHBondContact O-CG 3.38Å; T209-L213 PolarHBondContact O-N 2.85Å
210	Y	62.6	Low	60.4	Low	168 Å²	168	82.7 Å²	82.7	66%	0.659	47%	0.465	S	S	*	.	H	α-helix	trans	-72.4	-39.1	175.2	173.5	-94.5	0	0	0	111.8	N208 L213 K214	N208-Y210 PolarHBondContact O-N 3.32Å; N208-Y210 WeakPolarHBondContact OD1-CA 3.36Å; N208-Y210 VanDerWaalsContact OD1-CB 3.27Å; N208-Y210 WeakPolarHBondContact OD1-CB 3.23Å; N208-Y210 PolarHBondContact OD1-N 3.01Å; Y210-L213 PolarHBondContact O-N 3.33Å; Y210-K214 VanDerWaalsContact O-CB 3.29Å; Y210-K214 WeakPolarHBondContact O-CB 3.42Å; Y210-K214 PolarHBondContact O-N 2.82Å
211	S	65.9	Low	59.7	Low	36 Å²	36	76.5 Å²	76.5	25%	0.252	43%	0.434	S	S	.	.	H	α-helix	trans	-66.8	-39.1	175.3	-63.1	0	0	0	0	112.1	F206 N208 K214 H215	F206-S211 WeakPolarHBondContact CD1-O 3.37Å; N208-S211 PolarHBondContact ND2-OG 2.99Å; N208-S211 PolarHBondContact O-N 3.47Å; N208-S211 VanDerWaalsContact O-N 3.16Å; N208-S211 PolarHBondContact OD1-N 3.12Å; N208-S211 PolarHBondContact OD1-OG 3.43Å; S211-K214 PolarHBondContact O-N 3.44Å; S211-H215 WeakPolarHBondContact O-CB 2.98Å; S211-H215 PolarHBondContact O-N 3.18Å
212	L	65.6	Low	58.7	Low	23 Å²	23	74.4 Å²	74.4	12%	0.12	43%	0.426	C	S	.	.	H	α-helix	trans	-63.5	-48.8	171.5	172.2	63.3	0	0	0	111.4	P197 C199 F206 N208 K214 H215 Q216	P197-L212 HydrophobicContact CB-CB 4.16Å; P197-L212 HydrophobicContact CB-CD2 3.73Å; P197-L212 HydrophobicContact CG-CB 4.39Å; C199-L212 HydrophobicContact CB-CD1 3.63Å; F206-L212 HydrophobicContact CB-CB 4.06Å; F206-L212 HydrophobicContact CD2-CB 3.84Å; F206-L212 HydrophobicContact CD2-CD1 3.61Å; F206-L212 HydrophobicContact CD2-CG 4.33Å; F206-L212 HydrophobicContact CE2-CD1 3.8Å; F206-L212 HydrophobicContact CG-CB 4.02Å; N208-L212 PolarHBondContact O-N 2.93Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 3.38Å; L212-H215 WeakPolarHBondContact O-CB 3.41Å; L212-H215 PolarHBondContact O-N 3.02Å; L212-H215 VanDerWaalsContact O-N 3.13Å; L212-Q216 HydrophobicContact CD1-CG 4.01Å; L212-Q216 HydrophobicContact CG-CG 4.41Å; L212-Q216 WeakPolarHBondContact O-CG 3.4Å; L212-Q216 PolarHBondContact O-N 3.22Å
213	L	55.5	Low	56.9	Low	97 Å²	97	79.9 Å²	79.9	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-59.9	-41.1	177	-80	163.6	0	0	0	111.5	T209 Y210 H215 Q216 V217	T209-L213 WeakPolarHBondContact O-CB 3.27Å; T209-L213 WeakPolarHBondContact O-CD1 3.5Å; T209-L213 VanDerWaalsContact O-CG 3.31Å; T209-L213 WeakPolarHBondContact O-CG 3.38Å; T209-L213 PolarHBondContact O-N 2.85Å; Y210-L213 PolarHBondContact O-N 3.33Å; L213-H215 VanDerWaalsContact C-N 3.34Å; L213-H215 PolarHBondContact O-N 3.12Å; L213-Q216 PolarHBondContact O-N 3.17Å; L213-V217 VanDerWaalsContact O-CB 3.25Å; L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.15Å
214	K	63.6	Low	55	Low	115 Å²	115	84.5 Å²	84.5	50%	0.5	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-41.8	174.9	-175.3	178.5	179.2	-174	0	111.3	Y210 S211 L212 V217 L218	Y210-K214 VanDerWaalsContact O-CB 3.29Å; Y210-K214 WeakPolarHBondContact O-CB 3.42Å; Y210-K214 PolarHBondContact O-N 2.82Å; S211-K214 PolarHBondContact O-N 3.44Å; L212-K214 VanDerWaalsContact C-N 3.29Å; L212-K214 PolarHBondContact O-N 3.38Å; K214-V217 PolarHBondContact O-N 3.5Å; K214-L218 HydrophobicContact CD-CD1 4.09Å; K214-L218 HydrophobicContact CG-CD1 3.47Å; K214-L218 VanDerWaalsContact CG-CD1 3.47Å; K214-L218 HydrophobicContact CG-CG 4.18Å; K214-L218 WeakPolarHBondContact O-CB 3.2Å; K214-L218 WeakPolarHBondContact O-CG 3.35Å; K214-L218 PolarHBondContact O-N 2.95Å
215	H	64.5	Low	53.2	Low	24 Å²	24	84.1 Å²	84.1	11%	0.111	48%	0.475	C	S	.	.	H	α-helix	trans	-64.2	-49.3	174.4	167	84.3	0	0	0	112	C199 C202 F206 S211 L212 L213 V217 L218 T219	C199-H215 VanDerWaalsContact SG-CD2 3.52Å; C199-H215 PolarHBondContact SG-NE2 3.41Å; C202-H215 PolarHBondContact SG-CE1 3.39Å; C202-H215 PolarHBondContact SG-NE2 3.06Å; F206-H215 HydrophobicContact CD1-CB 4.25Å; F206-H215 HydrophobicContact CE1-CB 3.39Å; F206-H215 AromaticContact CE1-CG 3.74Å; F206-H215 HydrophobicContact CE2-CB 3.92Å; F206-H215 AromaticContact CE2-CD2 3.65Å; F206-H215 AromaticContact CE2-CG 3.7Å; F206-H215 HydrophobicContact CZ-CB 3.23Å; F206-H215 AromaticContact CZ-CD2 3.48Å; F206-H215 VanDerWaalsContact CZ-CD2 3.48Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.13Å; F206-H215 AromaticContact CZ-CE1 3.98Å; F206-H215 AromaticContact CZ-CG 3.05Å; F206-H215 AromaticContact CZ-ND1 3.41Å; F206-H215 WeakPolarHBondContact CZ-ND1 3.24Å; S211-H215 WeakPolarHBondContact O-CB 2.98Å; S211-H215 PolarHBondContact O-N 3.18Å; L212-H215 WeakPolarHBondContact O-CB 3.41Å; L212-H215 PolarHBondContact O-N 3.02Å; L212-H215 VanDerWaalsContact O-N 3.13Å; L213-H215 VanDerWaalsContact C-N 3.34Å; L213-H215 PolarHBondContact O-N 3.12Å; H215-V217 PolarHBondContact O-N 3.39Å; H215-L218 PolarHBondContact O-N 3.11Å; H215-T219 PolarHBondContact CE1-OG1 2.85Å; H215-T219 PolarHBondContact ND1-OG1 3.49Å; H215-T219 PolarHBondContact NE2-OG1 2.79Å; H215-T219 WeakPolarHBondContact O-CA 3.35Å; H215-T219 WeakPolarHBondContact O-CB 3.44Å; H215-T219 PolarHBondContact O-N 2.71Å; H215-T219 PolarHBondContact O-OG1 3.42Å
216	Q	57	Low	51	Low	62 Å²	62	85.3 Å²	85.3	29%	0.29	49%	0.485	S	S	.	.	H	α-helix	trans	-61.7	-26.1	177.9	-71	176.8	-26.1	0	0	113.5	L212 L213 C221	L212-Q216 HydrophobicContact CD1-CG 4.01Å; L212-Q216 HydrophobicContact CG-CG 4.41Å; L212-Q216 WeakPolarHBondContact O-CG 3.4Å; L212-Q216 PolarHBondContact O-N 3.22Å; L213-Q216 PolarHBondContact O-N 3.17Å; Q216-C221 WeakPolarHBondContact CA-O 3.44Å
217	V	47.2	Very low	49.2	Very low	114 Å²	114	94 Å²	94	69%	0.691	52%	0.518	S	S	*	.	H	α-helix	trans	-92.1	-33.5	-179.1	172.1	0	0	0	0	112.7	L213 K214 H215	L213-V217 VanDerWaalsContact O-CB 3.25Å; L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.15Å; K214-V217 PolarHBondContact O-N 3.5Å; H215-V217 PolarHBondContact O-N 3.39Å
218	L	49.5	Very low	47.3	Very low	120 Å²	120	97.4 Å²	97.4	63%	0.628	53%	0.526	S	S	*	.	H	α-helix	trans	-105.8	-11.7	-174.1	-61.4	-179.8	0	0	0	114.4	K214 H215	K214-L218 HydrophobicContact CD-CD1 4.09Å; K214-L218 HydrophobicContact CG-CD1 3.47Å; K214-L218 VanDerWaalsContact CG-CD1 3.47Å; K214-L218 HydrophobicContact CG-CG 4.18Å; K214-L218 WeakPolarHBondContact O-CB 3.2Å; K214-L218 WeakPolarHBondContact O-CG 3.35Å; K214-L218 PolarHBondContact O-N 2.95Å; H215-L218 PolarHBondContact O-N 3.11Å
219	T	51.2	Low	45.9	Very low	58 Å²	58	101.8 Å²	101.8	36%	0.356	55%	0.549	S	S	.	.	S	Bend	trans	-115.5	149.6	174.6	69.1	0	0	0	0	109.1	H215 C221	H215-T219 PolarHBondContact CE1-OG1 2.85Å; H215-T219 PolarHBondContact ND1-OG1 3.49Å; H215-T219 PolarHBondContact NE2-OG1 2.79Å; H215-T219 WeakPolarHBondContact O-CA 3.35Å; H215-T219 WeakPolarHBondContact O-CB 3.44Å; H215-T219 PolarHBondContact O-N 2.71Å; H215-T219 PolarHBondContact O-OG1 3.42Å; T219-C221 PolarHBondContact O-N 3.2Å
220	S	49.1	Very low	44.4	Very low	130 Å²	130	105 Å²	105	91%	0.909	56%	0.564	S	S	*	*	S	Bend	trans	-58.5	6.8	-179.3	44.1	0	0	0	0	115.2	G222	S220-G222 PolarHBondContact O-N 3.37Å
221	C	46.5	Very low	42.8	Very low	30 Å²	30	103.9 Å²	103.9	20%	0.203	58%	0.575	C	S	.	*			trans	-93.5	66.4	174.4	-64.4	0	0	0	0	110.8	C202 Q216 T219	C202-C221 HydrophobicContact CB-CB 4.33Å; C202-C221 VanDerWaalsContact CB-SG 3.59Å; Q216-C221 WeakPolarHBondContact CA-O 3.44Å; T219-C221 PolarHBondContact O-N 3.2Å
222	G	36.5	Very low	40.9	Very low	39 Å²	39	109.4 Å²	109.4	40%	0.402	60%	0.601	S	S	.	*			trans	173.8	88.2	177.9	0	0	0	0	0	115.1	S220 N224	S220-G222 PolarHBondContact O-N 3.37Å; G222-N224 PolarHBondContact O-N 3.47Å
223	N	30.7	Very low	39.2	Very low	160 Å²	160	117.4 Å²	117.4	86%	0.856	64%	0.635	S	S	*	*			trans	-65.1	97.1	164.9	-76.8	-29.6	0	0	0	110.4
224	N	28	Very low	37.7	Very low	149 Å²	149	118.3 Å²	118.3	80%	0.797	65%	0.645	S	S	*	*				154.9	114.5	124.2	-81.6	-45.3	0	0	0	113.1	G222	G222-N224 PolarHBondContact O-N 3.47Å
225	S	27.3	Very low	35.9	Very low	109 Å²	109	118.3 Å²	118.3	76%	0.762	66%	0.655	S	S	*	*			trans	5.8	116.8	145	-174.6	0	0	0	0	117.3
226	L	26.7	Very low	34	Very low	147 Å²	147	124.8 Å²	124.8	77%	0.77	69%	0.685	S	S	*	*				179.2	122.4	129.9	-93.1	160.7	0	0	0	110
227	Y	27.4	Very low	32.4	Very low	214 Å²	214	127.2 Å²	127.2	84%	0.839	70%	0.7	S	S	*	*			trans	91.5	74.1	176	-81.8	-93.8	0	0	0	118.5
228	N	24.7	Very low	31.3	Very low	152 Å²	152	128.3 Å²	128.3	81%	0.813	70%	0.702	S	S	*	*			trans	-87.1	124	136.4	-100.2	-14.6	0	0	0	108
229	N	27.8	Very low	30.2	Very low	131 Å²	131	128.5 Å²	128.5	70%	0.701	71%	0.708	S	S	*	*				176	111.9	127.4	-85.2	-19.1	0	0	0	110.7
230	N	26.1	Very low	28.9	Very low	128 Å²	128	130.8 Å²	130.8	68%	0.684	73%	0.726	S	S	*	*				66.2	98.2	128.9	-55.6	-18.4	0	0	0	118.4
231	T	28.6	Very low	27.8	Very low	143 Å²	143	129.7 Å²	129.7	88%	0.877	72%	0.718	S	S	*	*				-145.1	94.6	117.5	51.2	0	0	0	0	109.4
232	N	24.5	Very low	26.7	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	75%	0.745	S	S	*	*			trans	-75.3	127.3	160.7	-77.1	-22.5	0	0	0	108.9
233	K	30.4	Very low	26.1	Very low	192 Å²	192	139 Å²	139	84%	0.835	76%	0.756	S	S	*	*			trans	-166.8	87.9	142.7	-105.2	176.7	-179.9	-177.4	0	105.9
234	T	23.7	Very low	25.7	Very low	115 Å²	115	136.9 Å²	136.9	71%	0.706	74%	0.744	S	S	*	*				67	104.8	99.4	55.7	0	0	0	0	111.9
235	T	26.8	Very low	25.6	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	74%	0.743	S	S	*	*				170.7	106.8	116.5	41.3	0	0	0	0	105.4
236	E	23.7	Very low	25.3	Very low	161 Å²	161	139 Å²	139	75%	0.752	74%	0.738	S	S	*	*				76.3	124.9	107.6	-73.7	-179.7	-150.1	0	0	111.1
237	N	25	Very low	25.1	Very low	112 Å²	112	140.4 Å²	140.4	60%	0.599	74%	0.74	S	S	*	*			cis	-170.2	150.9	22.1	-99.7	-26.2	0	0	0	108.1
238	N	23.5	Very low	25	Very low	137 Å²	137	139 Å²	139	73%	0.733	74%	0.739	S	S	*	*			trans	67.9	108.1	141.9	-59.1	-16.1	0	0	0	118.7
239	V	25.6	Very low	25	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	74%	0.735	S	S	*	*				168.4	116.9	84.8	169.5	0	0	0	0	108.7
240	S	23.4	Very low	24.8	Very low	107 Å²	107	137.6 Å²	137.6	75%	0.748	74%	0.735	S	S	*	*			trans	39.6	127.9	135.6	-43.8	0	0	0	0	119.1
241	S	27.8	Very low	24.6	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	74%	0.737	S	S	*	*				-162.3	128.4	50.6	35.1	0	0	0	0	109.6
242	N	23	Very low	24.5	Very low	144 Å²	144	141.5 Å²	141.5	77%	0.77	74%	0.737	S	S	*	*				58.4	124.7	89.7	-87.3	-0.4	0	0	0	112.1
243	I	24.1	Very low	24.6	Very low	121 Å²	121	139.7 Å²	139.7	62%	0.621	73%	0.727	S	S	*	*			cis	-178.1	140.6	38.9	-107.9	156.6	0	0	0	109.7
244	N	22.5	Very low	24.2	Very low	115 Å²	115	138.9 Å²	138.9	62%	0.615	72%	0.724	S	S	*	*			trans	49	145	143.4	-49.6	-12.9	0	0	0	121.4
245	Y	24.7	Very low	24.3	Very low	198 Å²	198	140.8 Å²	140.8	78%	0.776	73%	0.729	S	S	*	*			cis	-160.5	126.5	45.5	-91	-85.4	0	0	0	113.5
246	T	22	Very low	24.2	Very low	105 Å²	105	139.8 Å²	139.8	64%	0.644	73%	0.728	S	S	*	*			trans	16.8	132.1	136.7	55.3	0	0	0	0	124.3
247	E	22.6	Very low	24.2	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.822	73%	0.729	S	S	*	*				77.5	115.3	129.4	-69.8	175.7	179	0	0	122.4
248	K	25.5	Very low	24.2	Very low	186 Å²	186	142.4 Å²	142.4	81%	0.809	74%	0.741	S	S	*	*				-168.7	109.3	120.3	-105.8	173.5	179.8	172.9	0	112.3
249	N	23.1	Very low	24.2	Very low	135 Å²	135	143.5 Å²	143.5	72%	0.722	75%	0.747	S	S	*	*				60.9	142.7	124.3	-62.3	-6.5	0	0	0	120.9
250	V	24.6	Very low	24.1	Very low	117 Å²	117	144.9 Å²	144.9	71%	0.709	74%	0.742	S	S	*	*			cis	-164.1	144.4	-3	135.5	0	0	0	0	105.8
251	Y	21.9	Very low	24.2	Very low	187 Å²	187	146.2 Å²	146.2	73%	0.733	74%	0.735	S	S	*	*			trans	-18.4	147.6	164.6	-69.9	-97.6	0	0	0	119.5
252	L	26.2	Very low	24.1	Very low	167 Å²	167	148.4 Å²	148.4	87%	0.874	74%	0.744	S	S	*	*				-149.2	103.2	118.5	-90.3	177.5	0	0	0	110.9
253	N	25.7	Very low	24.1	Very low	113 Å²	113	146.2 Å²	146.2	60%	0.604	74%	0.736	S	S	*	*			trans	23.6	120.6	148	-62.4	-27.5	0	0	0	120.1
254	K	22.5	Very low	24.1	Very low	176 Å²	176	149 Å²	149	77%	0.765	74%	0.74	S	S	*	*				58.9	108.3	77.3	-77.9	-173.4	179.3	175.5	0	113.1
255	D	25.7	Very low	24.5	Very low	154 Å²	154	148.6 Å²	148.6	82%	0.824	74%	0.738	S	S	*	*			trans	158.5	108.8	130.8	-73.2	-18.2	0	0	0	107.9
256	S	24.2	Very low	24.6	Very low	95 Å²	95	144.6 Å²	144.6	66%	0.664	73%	0.734	S	S	*	*				94.3	118	94.6	-170	0	0	0	0	111.6
257	H	24.6	Very low	25.1	Very low	167 Å²	167	146.1 Å²	146.1	77%	0.773	73%	0.732	S	S	*	*			trans	54.4	98.6	164	-64.6	-66.2	0	0	0	119.3
258	N	24.9	Very low	25.5	Very low	160 Å²	160	142.7 Å²	142.7	86%	0.856	72%	0.716	S	S	*	*				171.6	131.2	117.6	-93	-40.3	0	0	0	113.6	K260	N258-K260 PolarHBondContact O-N 3.08Å
259	N	22.9	Very low	25.8	Very low	160 Å²	160	138.3 Å²	138.3	86%	0.856	70%	0.7	S	S	*	*			trans	-53.2	119.2	161.5	-89.9	-38.7	0	0	0	111.2
260	K	23.8	Very low	26.2	Very low	153 Å²	153	136.3 Å²	136.3	67%	0.665	69%	0.689	S	S	*	*			trans	152.4	136.5	148.1	-85.5	161.9	-174.2	-179.6	0	110.7	N258 N409	N258-K260 PolarHBondContact O-N 3.08Å; K260-N409 PolarHBondContact NZ-OD1 2.95Å
261	K	25.4	Very low	26.6	Very low	135 Å²	135	135 Å²	135	59%	0.587	68%	0.675	S	S	*	*			trans	96.2	97	167.6	-58.9	167.6	176.9	172.3	0	117.5	K407	K261-K407 VanDerWaalsContact CE-CE 3.41Å
262	T	25.5	Very low	27.3	Very low	152 Å²	152	130.2 Å²	130.2	93%	0.933	66%	0.662	S	S	*	*			trans	-116	64.1	138.6	51.9	0	0	0	0	108.4
263	T	24	Very low	27.7	Very low	98 Å²	98	127.3 Å²	127.3	60%	0.601	64%	0.642	S	S	*	*			trans	-121.2	54.6	171.4	52	0	0	0	0	108.5
264	Y	24.5	Very low	28.3	Very low	179 Å²	179	127.1 Å²	127.1	70%	0.702	64%	0.638	S	S	*	*			trans	-156.9	96.6	174.8	-86.9	-79.3	0	0	0	108.9
265	N	29.5	Very low	29	Very low	108 Å²	108	122.2 Å²	122.2	58%	0.578	62%	0.62	S	S	*	*	S	Bend	trans	174.6	10.7	142.9	-98.7	-18.5	0	0	0	114.7	L269	N265-L269 WeakPolarHBondContact O-CB 3.44Å; N265-L269 PolarHBondContact O-N 2.87Å
266	T	28.3	Very low	29.7	Very low	114 Å²	114	119.1 Å²	119.1	70%	0.699	60%	0.6	S	S	*	*	H	α-helix	trans	-73.7	-40.1	171.3	41.3	0	0	0	0	112.5	L269 I270	T266-L269 PolarHBondContact O-N 3.49Å; T266-I270 WeakPolarHBondContact O-CD1 3.32Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.29Å; T266-I270 VanDerWaalsContact O-N 3.09Å
267	K	31.5	Very low	30.3	Very low	136 Å²	136	118 Å²	118	59%	0.591	59%	0.59	S	S	*	*	H	α-helix	trans	-65.1	-44.6	178.3	-158.1	174.9	-177.7	178.3	0	112.5	L269 I270 E271	K267-L269 PolarHBondContact O-N 3.02Å; K267-I270 PolarHBondContact O-N 3.22Å; K267-E271 PolarHBondContact O-N 3.05Å
268	H	31.9	Very low	30.8	Very low	104 Å²	104	114.1 Å²	114.1	48%	0.481	57%	0.574	S	S	.	*	H	α-helix	trans	-68.8	-30.6	177.2	-161.9	-67.9	0	0	0	113	L272	H268-L272 VanDerWaalsContact ND1-CD1 3.26Å; H268-L272 WeakPolarHBondContact ND1-CD1 3.3Å; H268-L272 WeakPolarHBondContact O-CB 3.48Å; H268-L272 WeakPolarHBondContact O-CD1 3.13Å; H268-L272 WeakPolarHBondContact O-CG 3.38Å; H268-L272 PolarHBondContact O-N 3.32Å; H268-L272 VanDerWaalsContact O-N 3.1Å
269	L	31.1	Very low	31.5	Very low	94 Å²	94	114.6 Å²	114.6	49%	0.492	56%	0.564	S	S	.	*	H	α-helix	trans	-72	-33.7	173.5	-121.6	83.5	0	0	0	112.4	N265 T266 K267 K273	N265-L269 WeakPolarHBondContact O-CB 3.44Å; N265-L269 PolarHBondContact O-N 2.87Å; T266-L269 PolarHBondContact O-N 3.49Å; K267-L269 PolarHBondContact O-N 3.02Å; L269-K273 WeakPolarHBondContact O-CB 3.29Å; L269-K273 WeakPolarHBondContact O-CG 3.19Å; L269-K273 PolarHBondContact O-N 3.34Å
270	I	30.9	Very low	32.2	Very low	93 Å²	93	114.5 Å²	114.5	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-72.4	-44.1	178.1	-68.7	164.4	0	0	0	109.9	T266 K267 K273 Q274	T266-I270 WeakPolarHBondContact O-CD1 3.32Å; T266-I270 WeakPolarHBondContact O-CG1 3.43Å; T266-I270 PolarHBondContact O-N 3.29Å; T266-I270 VanDerWaalsContact O-N 3.09Å; K267-I270 PolarHBondContact O-N 3.22Å; I270-K273 PolarHBondContact O-N 2.76Å; I270-Q274 WeakPolarHBondContact O-CB 2.77Å; I270-Q274 PolarHBondContact O-N 3.34Å; I270-Q274 PolarHBondContact O-OE1 3.04Å
271	E	34	Very low	32.8	Very low	90 Å²	90	112.2 Å²	112.2	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-63.8	-42.1	175.8	-76.9	167.8	-174.8	0	0	112.4	K267 K273 Q274 N275	K267-E271 PolarHBondContact O-N 3.05Å; E271-K273 VanDerWaalsContact C-N 3.31Å; E271-K273 PolarHBondContact O-N 2.91Å; E271-Q274 PolarHBondContact O-N 3.03Å; E271-N275 WeakPolarHBondContact O-CB 3.32Å; E271-N275 VanDerWaalsContact O-CG 3.24Å; E271-N275 PolarHBondContact O-N 3.06Å; E271-N275 PolarHBondContact O-ND2 3.33Å; E271-N275 VanDerWaalsContact O-ND2 3.11Å
272	L	36.2	Very low	33.2	Very low	87 Å²	87	111.7 Å²	111.7	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-63.7	-35.9	175.1	-76.5	172.4	0	0	0	112.5	H268 E276	H268-L272 VanDerWaalsContact ND1-CD1 3.26Å; H268-L272 WeakPolarHBondContact ND1-CD1 3.3Å; H268-L272 WeakPolarHBondContact O-CB 3.48Å; H268-L272 WeakPolarHBondContact O-CD1 3.13Å; H268-L272 WeakPolarHBondContact O-CG 3.38Å; H268-L272 PolarHBondContact O-N 3.32Å; H268-L272 VanDerWaalsContact O-N 3.1Å; L272-E276 PolarHBondContact O-N 2.81Å
273	K	35.4	Very low	33.6	Very low	106 Å²	106	111 Å²	111	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-80.7	-32.5	179.6	-73.4	-78.4	165.4	-158.9	0	112.8	L269 I270 E271 N275 E276 V277	L269-K273 WeakPolarHBondContact O-CB 3.29Å; L269-K273 WeakPolarHBondContact O-CG 3.19Å; L269-K273 PolarHBondContact O-N 3.34Å; I270-K273 PolarHBondContact O-N 2.76Å; E271-K273 VanDerWaalsContact C-N 3.31Å; E271-K273 PolarHBondContact O-N 2.91Å; K273-N275 VanDerWaalsContact C-N 3.35Å; K273-E276 WeakPolarHBondContact CD-OE2 3.4Å; K273-E276 WeakPolarHBondContact CE-OE2 3.32Å; K273-E276 IonicContact NZ-OE1 2.76Å; K273-E276 IonicContact NZ-OE2 3.15Å; K273-E276 PolarHBondContact NZ-OE2 3.19Å; K273-E276 PolarHBondContact O-N 3.22Å; K273-V277 WeakPolarHBondContact O-CG2 3.3Å; K273-V277 PolarHBondContact O-N 2.76Å; K273-V277 VanDerWaalsContact O-N 3.15Å
274	Q	37.9	Very low	34	Very low	109 Å²	109	110.2 Å²	110.2	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-65	-39.7	169.7	-84.3	168	-37.3	0	0	111.2	I270 E271 E276 V277 N278	I270-Q274 WeakPolarHBondContact O-CB 2.77Å; I270-Q274 PolarHBondContact O-N 3.34Å; I270-Q274 PolarHBondContact O-OE1 3.04Å; E271-Q274 PolarHBondContact O-N 3.03Å; Q274-E276 VanDerWaalsContact C-N 3.32Å; Q274-E276 PolarHBondContact O-N 3.21Å; Q274-V277 PolarHBondContact O-N 3.19Å; Q274-N278 PolarHBondContact O-N 3.21Å; Q274-N278 PolarHBondContact O-ND2 3.21Å
275	N	38	Very low	34.1	Very low	73 Å²	73	108.7 Å²	108.7	39%	0.39	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-30.8	174.1	-73.2	-30.5	0	0	0	113	E271 K273 R279	E271-N275 WeakPolarHBondContact O-CB 3.32Å; E271-N275 VanDerWaalsContact O-CG 3.24Å; E271-N275 PolarHBondContact O-N 3.06Å; E271-N275 PolarHBondContact O-ND2 3.33Å; E271-N275 VanDerWaalsContact O-ND2 3.11Å; K273-N275 VanDerWaalsContact C-N 3.35Å; N275-R279 WeakPolarHBondContact O-CB 3.46Å; N275-R279 WeakPolarHBondContact O-CG 3.26Å; N275-R279 PolarHBondContact O-N 3.05Å
276	E	38.6	Very low	34	Very low	88 Å²	88	110.5 Å²	110.5	41%	0.411	55%	0.551	S	S	.	*	H	α-helix	trans	-70.2	-31.8	171.6	-79.5	179	-177.9	0	0	113.3	L272 K273 Q274 K280	L272-E276 PolarHBondContact O-N 2.81Å; K273-E276 WeakPolarHBondContact CD-OE2 3.4Å; K273-E276 WeakPolarHBondContact CE-OE2 3.32Å; K273-E276 IonicContact NZ-OE1 2.76Å; K273-E276 IonicContact NZ-OE2 3.15Å; K273-E276 PolarHBondContact NZ-OE2 3.19Å; K273-E276 PolarHBondContact O-N 3.22Å; Q274-E276 VanDerWaalsContact C-N 3.32Å; Q274-E276 PolarHBondContact O-N 3.21Å; E276-K280 VanDerWaalsContact O-CG 3.32Å; E276-K280 WeakPolarHBondContact O-CG 3.31Å; E276-K280 PolarHBondContact O-N 3.43Å
277	V	37.4	Very low	33.9	Very low	73 Å²	73	110.1 Å²	110.1	44%	0.442	55%	0.553	S	S	.	*	H	α-helix	trans	-74.3	-41.1	174.8	173.2	0	0	0	0	110.6	K273 Q274 K280 H281	K273-V277 WeakPolarHBondContact O-CG2 3.3Å; K273-V277 PolarHBondContact O-N 2.76Å; K273-V277 VanDerWaalsContact O-N 3.15Å; Q274-V277 PolarHBondContact O-N 3.19Å; V277-K280 PolarHBondContact O-N 3.21Å; V277-H281 PolarHBondContact O-N 2.77Å; V277-H281 VanDerWaalsContact O-N 3.1Å
278	N	36.2	Very low	33.8	Very low	85 Å²	85	110.7 Å²	110.7	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-41.9	177.1	-64.4	-15.9	0	0	0	111.8	Q274 K280 H281 D282	Q274-N278 PolarHBondContact O-N 3.21Å; Q274-N278 PolarHBondContact O-ND2 3.21Å; N278-K280 PolarHBondContact O-N 3.32Å; N278-H281 PolarHBondContact O-N 3.47Å; N278-H281 VanDerWaalsContact O-N 3.08Å; N278-D282 PolarHBondContact O-N 3.25Å
279	R	37.8	Very low	33.5	Very low	169 Å²	169	115.9 Å²	115.9	64%	0.638	58%	0.584	S	S	*	*	H	α-helix	trans	-66.2	-20.8	174.8	-73.2	179.8	-149.6	-177.3	5.6	114.5	N275 N283	N275-R279 WeakPolarHBondContact O-CB 3.46Å; N275-R279 WeakPolarHBondContact O-CG 3.26Å; N275-R279 PolarHBondContact O-N 3.05Å; R279-N283 PolarHBondContact O-ND2 3.5Å
280	K	39	Very low	33.5	Very low	158 Å²	158	115 Å²	115	69%	0.687	58%	0.579	S	S	*	*	H	α-helix	trans	-86.7	-24.1	173.4	-74.9	179.4	179.8	-174.6	0	112.2	E276 V277 N278	E276-K280 VanDerWaalsContact O-CG 3.32Å; E276-K280 WeakPolarHBondContact O-CG 3.31Å; E276-K280 PolarHBondContact O-N 3.43Å; V277-K280 PolarHBondContact O-N 3.21Å; N278-K280 PolarHBondContact O-N 3.32Å
281	H	35.3	Very low	33.6	Very low	106 Å²	106	115.7 Å²	115.7	49%	0.491	58%	0.583	S	S	.	*	H	α-helix	trans	-77.6	-31.3	172.9	-107	-65.8	0	0	0	113.2	V277 N278	V277-H281 PolarHBondContact O-N 2.77Å; V277-H281 VanDerWaalsContact O-N 3.1Å; N278-H281 PolarHBondContact O-N 3.47Å; N278-H281 VanDerWaalsContact O-N 3.08Å
282	D	34.1	Very low	33.4	Very low	123 Å²	123	115.5 Å²	115.5	66%	0.658	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-10.9	-179.3	-65.3	-27.1	0	0	0	113.9	N278	N278-D282 PolarHBondContact O-N 3.25Å
283	N	35	Very low	33.2	Very low	138 Å²	138	116.3 Å²	116.3	74%	0.738	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	8.6	-179.2	-78.5	-47.2	0	0	0	114.2	R279	R279-N283 PolarHBondContact O-ND2 3.5Å
284	T	30.6	Very low	33.2	Very low	81 Å²	81	116 Å²	116	50%	0.497	60%	0.596	S	S	.	*			trans	-119.5	59.6	177.3	54.6	0	0	0	0	111.2	N286	T284-N286 VanDerWaalsContact C-N 3.27Å; T284-N286 PolarHBondContact O-N 2.91Å
285	N	28.3	Very low	33.1	Very low	148 Å²	148	115.2 Å²	115.2	79%	0.791	59%	0.594	S	S	*	*			trans	-79.9	79.7	158.3	-82.3	-24.4	0	0	0	108.5
286	N	27	Very low	32.9	Very low	145 Å²	145	116.3 Å²	116.3	78%	0.775	60%	0.596	S	S	*	*	S	Bend	trans	156.6	121.5	152.1	-83.4	-26.3	0	0	0	109.7	T284	T284-N286 VanDerWaalsContact C-N 3.27Å; T284-N286 PolarHBondContact O-N 2.91Å
287	S	26.5	Very low	32.9	Very low	107 Å²	107	116.1 Å²	116.1	75%	0.748	60%	0.598	S	S	*	*	S	Bend	trans	46.2	76	161.2	64.4	0	0	0	0	116.8
288	N	28.1	Very low	33.1	Very low	148 Å²	148	117.2 Å²	117.2	79%	0.791	60%	0.6	S	S	*	*			trans	-175.6	86.3	144	-87.2	-23.3	0	0	0	108.1	L290	N288-L290 PolarHBondContact O-N 3.46Å
289	K	26.6	Very low	33.1	Very low	213 Å²	213	120 Å²	120	93%	0.926	61%	0.606	S	S	*	*			trans	-58	105.6	165	-104.4	178.4	173.2	177.4	0	106.5	N291	K289-N291 PolarHBondContact O-N 3.27Å
290	L	31.3	Very low	33.1	Very low	75 Å²	75	114.3 Å²	114.3	39%	0.393	59%	0.588	S	S	.	*			trans	-52.5	119.3	167.8	-94.6	99	0	0	0	107.3	N288 E294 I295 L298	N288-L290 PolarHBondContact O-N 3.46Å; L290-E294 VanDerWaalsContact CA-OE2 3.3Å; L290-E294 WeakPolarHBondContact CA-OE2 3.49Å; L290-E294 HydrophobicContact CD2-CB 3.94Å; L290-E294 WeakPolarHBondContact CG-OE2 3.44Å; L290-I295 HydrophobicContact CB-CG1 4.42Å; L290-L298 HydrophobicContact CD2-CD1 4.4Å
291	N	32	Very low	33.2	Very low	107 Å²	107	110.8 Å²	110.8	57%	0.572	58%	0.58	S	S	*	*			trans	-70.6	152	-175.4	-139.8	-1.2	0	0	0	108.7	K289 I293 E294	K289-N291 PolarHBondContact O-N 3.27Å; N291-I293 PolarHBondContact O-N 3.26Å; N291-E294 PolarHBondContact N-OE2 3.25Å; N291-E294 PolarHBondContact O-N 3.5Å
292	S	30	Very low	33.3	Very low	87 Å²	87	109.6 Å²	109.6	61%	0.608	58%	0.577	S	S	*	*	H	α-helix	trans	-49	-29.1	-176.9	52.6	0	0	0	0	114	F296	S292-F296 WeakPolarHBondContact O-CB 3.4Å; S292-F296 PolarHBondContact O-N 2.81Å; S292-F296 VanDerWaalsContact O-N 3.12Å
293	I	31.9	Very low	33.3	Very low	104 Å²	104	105.3 Å²	105.3	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-68.4	-38.2	176.5	-63.1	166.9	0	0	0	112.8	N291 F296 N297	N291-I293 PolarHBondContact O-N 3.26Å; I293-F296 PolarHBondContact O-N 3.4Å; I293-N297 WeakPolarHBondContact O-CB 3.47Å; I293-N297 PolarHBondContact O-N 2.68Å; I293-N297 PolarHBondContact O-ND2 3.24Å
294	E	36.1	Very low	33.3	Very low	100 Å²	100	103.7 Å²	103.7	47%	0.467	54%	0.539	S	S	.	.	H	α-helix	trans	-71.8	-38.5	-179.3	-65.6	179.6	146.3	0	0	111.4	L290 N291 N297 L298	L290-E294 VanDerWaalsContact CA-OE2 3.3Å; L290-E294 WeakPolarHBondContact CA-OE2 3.49Å; L290-E294 HydrophobicContact CD2-CB 3.94Å; L290-E294 WeakPolarHBondContact CG-OE2 3.44Å; N291-E294 PolarHBondContact N-OE2 3.25Å; N291-E294 PolarHBondContact O-N 3.5Å; E294-N297 PolarHBondContact O-N 3.21Å; E294-L298 WeakPolarHBondContact O-CB 3.46Å; E294-L298 PolarHBondContact O-N 3.16Å
295	I	35.2	Very low	33.5	Very low	91 Å²	91	102.8 Å²	102.8	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-62.3	-45.2	172	-61.3	176.7	0	0	0	110.1	L290 N297 L298 Y299	L290-I295 HydrophobicContact CB-CG1 4.42Å; I295-N297 PolarHBondContact O-N 3.29Å; I295-L298 PolarHBondContact O-N 3.49Å; I295-Y299 WeakPolarHBondContact O-CB 3.44Å; I295-Y299 PolarHBondContact O-N 3.04Å
296	F	34.6	Very low	33.7	Very low	97 Å²	97	99.5 Å²	99.5	43%	0.425	52%	0.517	S	S	.	.	H	α-helix	trans	-62.3	-40	176.5	-177.9	-108.4	0	0	0	112.6	S292 I293 Y299 N300	S292-F296 WeakPolarHBondContact O-CB 3.4Å; S292-F296 PolarHBondContact O-N 2.81Å; S292-F296 VanDerWaalsContact O-N 3.12Å; I293-F296 PolarHBondContact O-N 3.4Å; F296-Y299 PolarHBondContact O-N 3.26Å; F296-N300 VanDerWaalsContact CD1-ND2 3.28Å; F296-N300 WeakPolarHBondContact CD1-ND2 3.4Å; F296-N300 WeakPolarHBondContact CE1-ND2 3.44Å; F296-N300 WeakPolarHBondContact CZ-ND2 3.41Å; F296-N300 WeakPolarHBondContact O-CB 3.32Å; F296-N300 PolarHBondContact O-N 3.13Å; F296-N300 PolarHBondContact O-ND2 2.93Å
297	N	38.3	Very low	33.9	Very low	84 Å²	84	96.3 Å²	96.3	45%	0.449	50%	0.499	S	S	.	.	H	α-helix	trans	-68.3	-40.8	177.1	-74.6	-26.9	0	0	0	112.4	I293 E294 I295 Y299 N300 T301	I293-N297 WeakPolarHBondContact O-CB 3.47Å; I293-N297 PolarHBondContact O-N 2.68Å; I293-N297 PolarHBondContact O-ND2 3.24Å; E294-N297 PolarHBondContact O-N 3.21Å; I295-N297 PolarHBondContact O-N 3.29Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; N297-N300 PolarHBondContact O-N 3.23Å; N297-T301 WeakPolarHBondContact O-CB 2.98Å; N297-T301 PolarHBondContact O-N 3.08Å; N297-T301 PolarHBondContact O-OG1 2.81Å
298	L	40.3	Very low	34.1	Very low	95 Å²	95	96.9 Å²	96.9	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-45.5	171.7	-99.5	146.8	0	0	0	111.2	L290 E294 I295 T301 L302	L290-L298 HydrophobicContact CD2-CD1 4.4Å; E294-L298 WeakPolarHBondContact O-CB 3.46Å; E294-L298 PolarHBondContact O-N 3.16Å; I295-L298 PolarHBondContact O-N 3.49Å; L298-T301 PolarHBondContact O-N 3.43Å; L298-L302 WeakPolarHBondContact O-CG 3.31Å; L298-L302 PolarHBondContact O-N 3.43Å
299	Y	37.5	Very low	34.3	Very low	145 Å²	145	95.2 Å²	95.2	57%	0.569	48%	0.475	S	S	*	.	H	α-helix	trans	-63.1	-45.4	178	-163.5	-105.5	0	0	0	112	I295 F296 N297 T301 L302 I303	I295-Y299 WeakPolarHBondContact O-CB 3.44Å; I295-Y299 PolarHBondContact O-N 3.04Å; F296-Y299 PolarHBondContact O-N 3.26Å; N297-Y299 VanDerWaalsContact C-N 3.35Å; Y299-T301 VanDerWaalsContact C-N 3.34Å; Y299-T301 PolarHBondContact O-N 2.84Å; Y299-L302 WeakPolarHBondContact O-CB 3.18Å; Y299-L302 PolarHBondContact O-N 3.13Å; Y299-I303 HydrophobicContact CD1-CD1 3.4Å; Y299-I303 VanDerWaalsContact CD1-CD1 3.4Å; Y299-I303 HydrophobicContact CD1-CG1 4.4Å; Y299-I303 HydrophobicContact CE1-CD1 3.26Å; Y299-I303 HydrophobicContact CE1-CG1 4.31Å; Y299-I303 HydrophobicContact CG-CD1 4.28Å; Y299-I303 VanDerWaalsContact O-CG1 3.31Å; Y299-I303 WeakPolarHBondContact O-CG1 3.35Å; Y299-I303 PolarHBondContact O-N 2.71Å
300	N	38	Very low	34.5	Very low	48 Å²	48	91.2 Å²	91.2	26%	0.257	46%	0.459	S	S	.	.	H	α-helix	trans	-64.9	-35.2	175.7	-80.8	-33.9	0	0	0	113.2	F296 N297 I303 K304	F296-N300 VanDerWaalsContact CD1-ND2 3.28Å; F296-N300 WeakPolarHBondContact CD1-ND2 3.4Å; F296-N300 WeakPolarHBondContact CE1-ND2 3.44Å; F296-N300 WeakPolarHBondContact CZ-ND2 3.41Å; F296-N300 WeakPolarHBondContact O-CB 3.32Å; F296-N300 PolarHBondContact O-N 3.13Å; F296-N300 PolarHBondContact O-ND2 2.93Å; N297-N300 PolarHBondContact O-N 3.23Å; N300-I303 PolarHBondContact O-N 2.93Å; N300-K304 WeakPolarHBondContact O-CB 3.33Å; N300-K304 WeakPolarHBondContact O-CG 3.47Å; N300-K304 PolarHBondContact O-N 3.49Å
301	T	40.6	Very low	34.4	Very low	85 Å²	85	91.3 Å²	91.3	52%	0.521	46%	0.461	S	S	.	.	H	α-helix	trans	-69.4	-40.4	176.8	-52.5	0	0	0	0	110.8	N297 L298 Y299 T305	N297-T301 WeakPolarHBondContact O-CB 2.98Å; N297-T301 PolarHBondContact O-N 3.08Å; N297-T301 PolarHBondContact O-OG1 2.81Å; L298-T301 PolarHBondContact O-N 3.43Å; Y299-T301 VanDerWaalsContact C-N 3.34Å; Y299-T301 PolarHBondContact O-N 2.84Å; T301-T305 WeakPolarHBondContact O-CB 3.11Å; T301-T305 VanDerWaalsContact O-CG2 3.27Å; T301-T305 WeakPolarHBondContact O-CG2 3.17Å; T301-T305 PolarHBondContact O-N 3.29Å; T301-T305 PolarHBondContact O-OG1 3.25Å
302	L	36.2	Very low	34.2	Very low	81 Å²	81	92.7 Å²	92.7	42%	0.424	46%	0.458	S	S	.	.	H	α-helix	trans	-62.1	-43.7	172.3	-75.8	162.9	0	0	0	111.6	L298 Y299 T305 N306	L298-L302 WeakPolarHBondContact O-CG 3.31Å; L298-L302 PolarHBondContact O-N 3.43Å; Y299-L302 WeakPolarHBondContact O-CB 3.18Å; Y299-L302 PolarHBondContact O-N 3.13Å; L302-T305 WeakPolarHBondContact CA-OG1 3.4Å; L302-T305 PolarHBondContact O-N 3.19Å; L302-T305 PolarHBondContact O-OG1 3.32Å; L302-N306 WeakPolarHBondContact O-CB 3.48Å; L302-N306 VanDerWaalsContact O-CG 3.3Å; L302-N306 PolarHBondContact O-N 2.74Å; L302-N306 PolarHBondContact O-ND2 3.17Å
303	I	34.2	Very low	34.2	Very low	32 Å²	32	94.2 Å²	94.2	16%	0.164	46%	0.455	C	S	.	.	H	α-helix	trans	-65.2	-47.7	177.2	-69.8	167.8	0	0	0	111.3	Y299 N300 T305 N306 I307	Y299-I303 HydrophobicContact CD1-CD1 3.4Å; Y299-I303 VanDerWaalsContact CD1-CD1 3.4Å; Y299-I303 HydrophobicContact CD1-CG1 4.4Å; Y299-I303 HydrophobicContact CE1-CD1 3.26Å; Y299-I303 HydrophobicContact CE1-CG1 4.31Å; Y299-I303 HydrophobicContact CG-CD1 4.28Å; Y299-I303 VanDerWaalsContact O-CG1 3.31Å; Y299-I303 WeakPolarHBondContact O-CG1 3.35Å; Y299-I303 PolarHBondContact O-N 2.71Å; N300-I303 PolarHBondContact O-N 2.93Å; I303-T305 VanDerWaalsContact C-N 3.31Å; I303-T305 PolarHBondContact O-N 3.4Å; I303-N306 PolarHBondContact O-N 3.44Å; I303-I307 HydrophobicContact CG2-CD1 3.55Å; I303-I307 HydrophobicContact CG2-CG1 4.24Å; I303-I307 WeakPolarHBondContact O-CG1 3.06Å; I303-I307 PolarHBondContact O-N 3.18Å
304	K	35.3	Very low	34	Very low	104 Å²	104	92 Å²	92	45%	0.452	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-40.1	177.6	-78.7	178	178.1	179.5	0	112.1	N300 H308 N481	N300-K304 WeakPolarHBondContact O-CB 3.33Å; N300-K304 WeakPolarHBondContact O-CG 3.47Å; N300-K304 PolarHBondContact O-N 3.49Å; K304-H308 VanDerWaalsContact O-CB 3.31Å; K304-H308 WeakPolarHBondContact O-CB 3.3Å; K304-H308 PolarHBondContact O-N 2.78Å; K304-N481 PolarHBondContact NZ-OD1 2.8Å
305	T	34.5	Very low	33.7	Very low	62 Å²	62	94 Å²	94	38%	0.38	45%	0.453	S	S	.	.	H	α-helix	trans	-70.8	-34	178.3	53.5	0	0	0	0	112.6	T301 L302 I303 K309	T301-T305 WeakPolarHBondContact O-CB 3.11Å; T301-T305 VanDerWaalsContact O-CG2 3.27Å; T301-T305 WeakPolarHBondContact O-CG2 3.17Å; T301-T305 PolarHBondContact O-N 3.29Å; T301-T305 PolarHBondContact O-OG1 3.25Å; L302-T305 WeakPolarHBondContact CA-OG1 3.4Å; L302-T305 PolarHBondContact O-N 3.19Å; L302-T305 PolarHBondContact O-OG1 3.32Å; I303-T305 VanDerWaalsContact C-N 3.31Å; I303-T305 PolarHBondContact O-N 3.4Å; T305-K309 WeakPolarHBondContact O-CB 3.36Å; T305-K309 VanDerWaalsContact O-CG 3.25Å; T305-K309 WeakPolarHBondContact O-CG 3.38Å; T305-K309 PolarHBondContact O-N 2.95Å; T305-K309 VanDerWaalsContact O-N 3.1Å
306	N	33.7	Very low	33.4	Very low	80 Å²	80	98.7 Å²	98.7	43%	0.428	46%	0.464	S	S	.	.	H	α-helix	trans	-70.9	-46.1	174.5	-74.2	-23.8	0	0	0	112.1	L302 I303 H308 K309 E310	L302-N306 WeakPolarHBondContact O-CB 3.48Å; L302-N306 VanDerWaalsContact O-CG 3.3Å; L302-N306 PolarHBondContact O-N 2.74Å; L302-N306 PolarHBondContact O-ND2 3.17Å; I303-N306 PolarHBondContact O-N 3.44Å; N306-H308 VanDerWaalsContact C-N 3.34Å; N306-H308 PolarHBondContact O-N 3.41Å; N306-K309 WeakPolarHBondContact O-CB 3.34Å; N306-K309 PolarHBondContact O-N 3.5Å; N306-E310 PolarHBondContact O-N 2.81Å
307	I	30.7	Very low	33.1	Very low	78 Å²	78	97.3 Å²	97.3	40%	0.4	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-43.5	174.8	-65.5	170.6	0	0	0	110.4	I303 K309 E310 D311	I303-I307 HydrophobicContact CG2-CD1 3.55Å; I303-I307 HydrophobicContact CG2-CG1 4.24Å; I303-I307 WeakPolarHBondContact O-CG1 3.06Å; I303-I307 PolarHBondContact O-N 3.18Å; I307-K309 VanDerWaalsContact C-N 3.26Å; I307-K309 PolarHBondContact O-N 2.77Å; I307-E310 PolarHBondContact O-N 3.09Å; I307-D311 VanDerWaalsContact O-CB 3.26Å; I307-D311 WeakPolarHBondContact O-CB 3.21Å; I307-D311 PolarHBondContact O-N 3.5Å
308	H	31.3	Very low	32.7	Very low	118 Å²	118	97.9 Å²	97.9	55%	0.546	47%	0.465	S	S	.	.	H	α-helix	trans	-66.9	-23.6	175.6	-96.7	-59.3	0	0	0	114.4	K304 N306 R312	K304-H308 VanDerWaalsContact O-CB 3.31Å; K304-H308 WeakPolarHBondContact O-CB 3.3Å; K304-H308 PolarHBondContact O-N 2.78Å; N306-H308 VanDerWaalsContact C-N 3.34Å; N306-H308 PolarHBondContact O-N 3.41Å; H308-R312 VanDerWaalsContact O-CB 3.26Å; H308-R312 WeakPolarHBondContact O-CB 3.35Å; H308-R312 VanDerWaalsContact O-CG 3.24Å; H308-R312 WeakPolarHBondContact O-CG 3.01Å; H308-R312 PolarHBondContact O-N 3.48Å; H308-R312 PolarHBondContact O-NE 2.98Å
309	K	31.4	Very low	32.1	Very low	113 Å²	113	98.3 Å²	98.3	49%	0.491	47%	0.471	S	S	.	.	H	α-helix	trans	-79.3	-42.3	173.6	-79.2	173	-178.5	177.7	0	110.4	T305 N306 I307 R312 H313	T305-K309 WeakPolarHBondContact O-CB 3.36Å; T305-K309 VanDerWaalsContact O-CG 3.25Å; T305-K309 WeakPolarHBondContact O-CG 3.38Å; T305-K309 PolarHBondContact O-N 2.95Å; T305-K309 VanDerWaalsContact O-N 3.1Å; N306-K309 WeakPolarHBondContact O-CB 3.34Å; N306-K309 PolarHBondContact O-N 3.5Å; I307-K309 VanDerWaalsContact C-N 3.26Å; I307-K309 PolarHBondContact O-N 2.77Å; K309-R312 PolarHBondContact O-N 2.88Å; K309-H313 WeakPolarHBondContact O-CB 3.48Å; K309-H313 PolarHBondContact O-N 3.5Å
310	E	30.7	Very low	31.6	Very low	129 Å²	129	98.9 Å²	98.9	60%	0.603	48%	0.477	S	S	*	.	H	α-helix	trans	-68.2	-44.2	175.9	-71.3	-173.4	169.2	0	0	112.2	N306 I307 R312 H313 I314	N306-E310 PolarHBondContact O-N 2.81Å; I307-E310 PolarHBondContact O-N 3.09Å; E310-R312 VanDerWaalsContact C-N 3.29Å; E310-R312 PolarHBondContact O-N 3.39Å; E310-H313 CarbonylContact O-C 3.25Å; E310-H313 WeakPolarHBondContact O-CA 3.4Å; E310-H313 VanDerWaalsContact O-CB 3.29Å; E310-H313 WeakPolarHBondContact O-CB 3.46Å; E310-H313 PolarHBondContact O-N 3.18Å; E310-I314 WeakPolarHBondContact O-CB 3.48Å; E310-I314 VanDerWaalsContact O-CG1 3.24Å; E310-I314 WeakPolarHBondContact O-CG1 3.39Å; E310-I314 PolarHBondContact O-N 3.32Å
311	D	29.6	Very low	31.1	Very low	78 Å²	78	101.4 Å²	101.4	42%	0.417	48%	0.484	S	S	.	.	H	α-helix	trans	-62.2	-36.2	173.7	-83.8	-20.9	0	0	0	111.9	I307 H313 I314 H315	I307-D311 VanDerWaalsContact O-CB 3.26Å; I307-D311 WeakPolarHBondContact O-CB 3.21Å; I307-D311 PolarHBondContact O-N 3.5Å; D311-H313 VanDerWaalsContact C-N 3.34Å; D311-I314 PolarHBondContact O-N 3.31Å; D311-H315 VanDerWaalsContact O-CB 3.26Å; D311-H315 WeakPolarHBondContact O-CB 3.49Å; D311-H315 PolarHBondContact O-N 3.42Å
312	R	27.8	Very low	30.6	Very low	136 Å²	136	105.9 Å²	105.9	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-70.3	-31.4	172.1	-83.4	-174.9	-76	178.5	-6.2	112.1	H308 K309 E310 R316	H308-R312 VanDerWaalsContact O-CB 3.26Å; H308-R312 WeakPolarHBondContact O-CB 3.35Å; H308-R312 VanDerWaalsContact O-CG 3.24Å; H308-R312 WeakPolarHBondContact O-CG 3.01Å; H308-R312 PolarHBondContact O-N 3.48Å; H308-R312 PolarHBondContact O-NE 2.98Å; K309-R312 PolarHBondContact O-N 2.88Å; E310-R312 VanDerWaalsContact C-N 3.29Å; E310-R312 PolarHBondContact O-N 3.39Å; R312-R316 WeakPolarHBondContact O-CB 3.39Å; R312-R316 WeakPolarHBondContact O-CG 3.42Å; R312-R316 PolarHBondContact O-N 3.09Å
313	H	29.9	Very low	30.3	Very low	118 Å²	118	106.7 Å²	106.7	55%	0.546	50%	0.5	S	S	.	.	H	α-helix	trans	-70.3	-39.5	173.6	-137.1	-54.5	0	0	0	111.3	K309 E310 D311 N317	K309-H313 WeakPolarHBondContact O-CB 3.48Å; K309-H313 PolarHBondContact O-N 3.5Å; E310-H313 CarbonylContact O-C 3.25Å; E310-H313 WeakPolarHBondContact O-CA 3.4Å; E310-H313 VanDerWaalsContact O-CB 3.29Å; E310-H313 WeakPolarHBondContact O-CB 3.46Å; E310-H313 PolarHBondContact O-N 3.18Å; D311-H313 VanDerWaalsContact C-N 3.34Å; H313-N317 PolarHBondContact CE1-ND2 2.8Å; H313-N317 VanDerWaalsContact CE1-ND2 3.27Å; H313-N317 PolarHBondContact ND1-ND2 2.83Å; H313-N317 WeakPolarHBondContact O-CB 3.32Å; H313-N317 PolarHBondContact O-N 3.48Å
314	I	28.9	Very low	30	Very low	58 Å²	58	113.6 Å²	113.6	30%	0.297	53%	0.526	S	S	.	.	H	α-helix	trans	-71.7	-39.5	176.5	-65.4	162.7	0	0	0	110.8	E310 D311 N318	E310-I314 WeakPolarHBondContact O-CB 3.48Å; E310-I314 VanDerWaalsContact O-CG1 3.24Å; E310-I314 WeakPolarHBondContact O-CG1 3.39Å; E310-I314 PolarHBondContact O-N 3.32Å; D311-I314 PolarHBondContact O-N 3.31Å; I314-N318 PolarHBondContact O-N 2.92Å; I314-N318 VanDerWaalsContact O-N 3.15Å; I314-N318 PolarHBondContact O-ND2 3.17Å
315	H	29.6	Very low	29.7	Very low	142 Å²	142	116.6 Å²	116.6	66%	0.657	54%	0.539	S	S	*	.	H	α-helix	trans	-73.4	-31.7	176.1	-100.4	-69.6	0	0	0	113.8	D311	D311-H315 VanDerWaalsContact O-CB 3.26Å; D311-H315 WeakPolarHBondContact O-CB 3.49Å; D311-H315 PolarHBondContact O-N 3.42Å
316	R	28.3	Very low	29.5	Very low	189 Å²	189	118.3 Å²	118.3	71%	0.713	54%	0.543	S	S	*	.	H	α-helix	trans	-81.2	-29.6	175.3	-77.5	177.4	169.5	166.3	-5.9	113	R312	R312-R316 WeakPolarHBondContact O-CB 3.39Å; R312-R316 WeakPolarHBondContact O-CG 3.42Å; R312-R316 PolarHBondContact O-N 3.09Å
317	N	29	Very low	29.4	Very low	68 Å²	68	118.1 Å²	118.1	36%	0.364	54%	0.541	S	S	.	.			trans	-105	28.4	178	-62.7	-9.4	0	0	0	113.1	H313 T319	H313-N317 PolarHBondContact CE1-ND2 2.8Å; H313-N317 VanDerWaalsContact CE1-ND2 3.27Å; H313-N317 PolarHBondContact ND1-ND2 2.83Å; H313-N317 WeakPolarHBondContact O-CB 3.32Å; H313-N317 PolarHBondContact O-N 3.48Å; N317-T319 CarbonylContact O-C 3.54Å; N317-T319 PolarHBondContact O-N 2.92Å; N317-T319 VanDerWaalsContact O-O 3.06Å
318	N	29.5	Very low	29.5	Very low	97 Å²	97	121 Å²	121	52%	0.519	55%	0.551	S	S	.	*			trans	-67	16.1	173.8	-108.2	-31.4	0	0	0	113.8	I314	I314-N318 PolarHBondContact O-N 2.92Å; I314-N318 VanDerWaalsContact O-N 3.15Å; I314-N318 PolarHBondContact O-ND2 3.17Å
319	T	27	Very low	29.6	Very low	103 Å²	103	122 Å²	122	63%	0.632	56%	0.555	S	S	*	*	S	Bend	trans	-120	120	160.2	51.6	0	0	0	0	106.6	N317	N317-T319 CarbonylContact O-C 3.54Å; N317-T319 PolarHBondContact O-N 2.92Å; N317-T319 VanDerWaalsContact O-O 3.06Å
320	F	26.8	Very low	29.7	Very low	157 Å²	157	120.9 Å²	120.9	69%	0.689	55%	0.554	S	S	*	*			trans	86.1	78.8	176.9	-62.7	-94.4	0	0	0	118	K322	F320-K322 HydrophobicContact CD1-CD 4.03Å; F320-K322 HydrophobicContact CD1-CG 4.11Å; F320-K322 HydrophobicContact CE1-CD 4.27Å
321	Y	28	Very low	29.7	Very low	102 Å²	102	121.1 Å²	121.1	40%	0.4	55%	0.55	S	S	.	.			trans	-109.7	108.1	134.4	-75.8	-80.7	0	0	0	106.6
322	K	30.3	Very low	30	Very low	178 Å²	178	125 Å²	125	77%	0.774	56%	0.562	S	S	*	*			trans	-85.3	-12.2	-176.2	-102.7	178.5	170	177.2	0	113.1	F320	F320-K322 HydrophobicContact CD1-CD 4.03Å; F320-K322 HydrophobicContact CD1-CG 4.11Å; F320-K322 HydrophobicContact CE1-CD 4.27Å
323	D	29	Very low	30.2	Very low	98 Å²	98	127.3 Å²	127.3	52%	0.524	57%	0.573	S	S	.	*			trans	-123.3	119.6	-175	-98.9	-42.5	0	0	0	113.7	K325 E326	D323-K325 PolarHBondContact O-N 3.22Å; D323-E326 HydrophobicContact CB-CG 4.41Å; D323-E326 PolarHBondContact O-N 3.34Å
324	Y	27.7	Very low	30.3	Very low	178 Å²	178	125 Å²	125	70%	0.698	57%	0.567	S	S	*	*	H	α-helix	trans	-58.1	-24.3	173.5	178.8	-96.1	0	0	0	113	K328	Y324-K328 PolarHBondContact O-N 3.13Å
325	K	30.3	Very low	30.5	Very low	167 Å²	167	127.2 Å²	127.2	73%	0.726	58%	0.575	S	S	*	*	H	α-helix	trans	-68.3	-40.3	177.7	-88.1	-179.4	176.4	175	0	113.4	D323 K328 Q329	D323-K325 PolarHBondContact O-N 3.22Å; K325-K328 WeakPolarHBondContact O-CB 3.44Å; K325-K328 PolarHBondContact O-N 3.37Å; K325-Q329 PolarHBondContact O-N 3.44Å; K325-Q329 VanDerWaalsContact O-N 3.12Å
326	E	30.1	Very low	30.7	Very low	98 Å²	98	123.8 Å²	123.8	46%	0.458	57%	0.567	S	S	.	*	H	α-helix	trans	-68.9	-40.3	-178.8	-67.4	-177	156.9	0	0	111.2	D323 K328 Q329 I330	D323-E326 HydrophobicContact CB-CG 4.41Å; D323-E326 PolarHBondContact O-N 3.34Å; E326-K328 VanDerWaalsContact C-N 3.28Å; E326-K328 PolarHBondContact O-N 3.2Å; E326-Q329 PolarHBondContact O-N 3.42Å; E326-I330 WeakPolarHBondContact O-CG1 3.39Å; E326-I330 PolarHBondContact O-N 3.49Å
327	L	31.4	Very low	31.1	Very low	75 Å²	75	118.9 Å²	118.9	39%	0.393	55%	0.549	S	S	.	.	H	α-helix	trans	-61.9	-34.4	172.6	-80.6	163.8	0	0	0	112.6	R331	L327-R331 WeakPolarHBondContact O-CB 3.42Å; L327-R331 VanDerWaalsContact O-CG 3.27Å; L327-R331 WeakPolarHBondContact O-CG 3.25Å; L327-R331 PolarHBondContact O-N 3.11Å
328	K	32.7	Very low	31.4	Very low	139 Å²	139	117.7 Å²	117.7	60%	0.604	54%	0.542	S	S	*	.	H	α-helix	trans	-69.3	-37.3	176	-167.4	175.1	-178.1	176.6	0	111.9	Y324 K325 E326 K332	Y324-K328 PolarHBondContact O-N 3.13Å; K325-K328 WeakPolarHBondContact O-CB 3.44Å; K325-K328 PolarHBondContact O-N 3.37Å; E326-K328 VanDerWaalsContact C-N 3.28Å; E326-K328 PolarHBondContact O-N 3.2Å; K328-K332 PolarHBondContact O-N 2.89Å
329	Q	33.5	Very low	31.7	Very low	138 Å²	138	119.3 Å²	119.3	65%	0.645	55%	0.546	S	S	*	.	H	α-helix	trans	-69.4	-43.8	175.1	-93.7	163.7	-12.5	0	0	112.4	K325 E326 R331 K332 Y333	K325-Q329 PolarHBondContact O-N 3.44Å; K325-Q329 VanDerWaalsContact O-N 3.12Å; E326-Q329 PolarHBondContact O-N 3.42Å; Q329-R331 VanDerWaalsContact C-N 3.3Å; Q329-R331 PolarHBondContact O-N 2.83Å; Q329-K332 WeakPolarHBondContact O-CB 3.26Å; Q329-K332 PolarHBondContact O-N 3.34Å; Q329-K332 VanDerWaalsContact O-N 3.09Å; Q329-Y333 PolarHBondContact O-N 2.95Å
330	I	32.6	Very low	32.1	Very low	90 Å²	90	119.8 Å²	119.8	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-60	-43	175.3	-66.7	167.6	0	0	0	110.4	E326 K332 Y333 T334	E326-I330 WeakPolarHBondContact O-CG1 3.39Å; E326-I330 PolarHBondContact O-N 3.49Å; I330-K332 VanDerWaalsContact C-N 3.34Å; I330-K332 PolarHBondContact O-N 3.37Å; I330-Y333 PolarHBondContact O-N 2.77Å; I330-T334 PolarHBondContact O-N 2.99Å; I330-T334 PolarHBondContact O-OG1 3.4Å
331	R	31.9	Very low	32.5	Very low	135 Å²	135	114.2 Å²	114.2	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-37.1	173.7	-78.7	173.3	172.1	170	-8.4	113.3	L327 Q329 T334 K335	L327-R331 WeakPolarHBondContact O-CB 3.42Å; L327-R331 VanDerWaalsContact O-CG 3.27Å; L327-R331 WeakPolarHBondContact O-CG 3.25Å; L327-R331 PolarHBondContact O-N 3.11Å; Q329-R331 VanDerWaalsContact C-N 3.3Å; Q329-R331 PolarHBondContact O-N 2.83Å; R331-T334 WeakPolarHBondContact CA-OG1 3.43Å; R331-T334 PolarHBondContact O-OG1 3.39Å; R331-K335 WeakPolarHBondContact O-CG 2.93Å; R331-K335 PolarHBondContact O-N 3.16Å; R331-K335 VanDerWaalsContact O-N 3.09Å
332	K	34.6	Very low	32.9	Very low	158 Å²	158	111.6 Å²	111.6	69%	0.687	51%	0.512	S	S	*	.	H	α-helix	trans	-67.4	-42.2	175.9	-155.9	178.6	-175.9	-174.6	0	110.5	K328 Q329 I330 K335 S336	K328-K332 PolarHBondContact O-N 2.89Å; Q329-K332 WeakPolarHBondContact O-CB 3.26Å; Q329-K332 PolarHBondContact O-N 3.34Å; Q329-K332 VanDerWaalsContact O-N 3.09Å; I330-K332 VanDerWaalsContact C-N 3.34Å; I330-K332 PolarHBondContact O-N 3.37Å; K332-K335 PolarHBondContact O-N 3.24Å; K332-S336 PolarHBondContact O-N 2.94Å; K332-S336 PolarHBondContact O-OG 2.94Å; K332-S336 VanDerWaalsContact O-OG 3.13Å
333	Y	32.2	Very low	33.2	Very low	185 Å²	185	106 Å²	106	73%	0.725	50%	0.499	S	S	*	.	H	α-helix	trans	-65.1	-42.5	178.1	-147.7	-88.7	0	0	0	112.5	Q329 I330 S336 Y337	Q329-Y333 PolarHBondContact O-N 2.95Å; I330-Y333 PolarHBondContact O-N 2.77Å; Y333-S336 PolarHBondContact O-N 3.27Å; Y333-Y337 WeakPolarHBondContact O-CB 3.44Å; Y333-Y337 PolarHBondContact O-N 3.3Å
334	T	33.6	Very low	33.4	Very low	70 Å²	70	107 Å²	107	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-40.4	175	15.4	0	0	0	0	111.9	I330 R331 Y337 N338	I330-T334 PolarHBondContact O-N 2.99Å; I330-T334 PolarHBondContact O-OG1 3.4Å; R331-T334 WeakPolarHBondContact CA-OG1 3.43Å; R331-T334 PolarHBondContact O-OG1 3.39Å; T334-Y337 PolarHBondContact O-N 3.27Å; T334-N338 WeakPolarHBondContact O-CB 3.46Å; T334-N338 PolarHBondContact O-N 3.13Å; T334-N338 PolarHBondContact O-ND2 3.42Å
335	K	32.5	Very low	33.7	Very low	105 Å²	105	99 Å²	99	46%	0.457	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-44.2	173.8	-82.1	-172.3	175.2	-170.1	0	112.4	R331 K332 H339	R331-K335 WeakPolarHBondContact O-CG 2.93Å; R331-K335 PolarHBondContact O-N 3.16Å; R331-K335 VanDerWaalsContact O-N 3.09Å; K332-K335 PolarHBondContact O-N 3.24Å; K335-H339 PolarHBondContact O-N 3.34Å; K335-H339 VanDerWaalsContact O-N 3.12Å
336	S	34.1	Very low	33.9	Very low	70 Å²	70	94.3 Å²	94.3	49%	0.49	46%	0.457	S	S	.	.	H	α-helix	trans	-65.5	-42.1	177.2	-61	0	0	0	0	112.6	K332 Y333 H339 I340	K332-S336 PolarHBondContact O-N 2.94Å; K332-S336 PolarHBondContact O-OG 2.94Å; K332-S336 VanDerWaalsContact O-OG 3.13Å; Y333-S336 PolarHBondContact O-N 3.27Å; S336-H339 PolarHBondContact O-N 3.39Å; S336-I340 WeakPolarHBondContact O-CG1 3.21Å; S336-I340 PolarHBondContact O-N 3.13Å
337	Y	36	Very low	34	Very low	86 Å²	86	96.7 Å²	96.7	34%	0.337	47%	0.466	S	S	.	.	H	α-helix	trans	-65.8	-39.5	178.7	-172.8	-106.6	0	0	0	112.1	Y333 T334 H339 I340 I341	Y333-Y337 WeakPolarHBondContact O-CB 3.44Å; Y333-Y337 PolarHBondContact O-N 3.3Å; T334-Y337 PolarHBondContact O-N 3.27Å; Y337-H339 VanDerWaalsContact C-N 3.35Å; Y337-H339 PolarHBondContact O-N 2.82Å; Y337-I340 WeakPolarHBondContact O-CB 3.24Å; Y337-I340 PolarHBondContact O-N 3.2Å; Y337-I341 HydrophobicContact CD1-CD1 3.64Å; Y337-I341 HydrophobicContact CD1-CG1 4.45Å; Y337-I341 HydrophobicContact CE1-CD1 3.28Å; Y337-I341 HydrophobicContact CE1-CG1 4.2Å; Y337-I341 PolarHBondContact O-N 2.91Å
338	N	36.1	Very low	34	Very low	43 Å²	43	97.1 Å²	97.1	23%	0.23	47%	0.468	C	S	.	.	H	α-helix	trans	-68.1	-34.5	176.3	-67.7	-21	0	0	0	112.7	T334 I340 I341 E342 L492	T334-N338 WeakPolarHBondContact O-CB 3.46Å; T334-N338 PolarHBondContact O-N 3.13Å; T334-N338 PolarHBondContact O-ND2 3.42Å; N338-I340 VanDerWaalsContact C-N 3.3Å; N338-I340 PolarHBondContact O-N 3.23Å; N338-I341 PolarHBondContact O-N 3.05Å; N338-E342 WeakPolarHBondContact O-CB 2.98Å; N338-E342 WeakPolarHBondContact O-CG 3.45Å; N338-E342 PolarHBondContact O-N 2.76Å; N338-L492 HydrophobicContact CB-CD2 3.17Å; N338-L492 HydrophobicContact CB-CG 4.5Å; N338-L492 WeakPolarHBondContact ND2-CD1 3.34Å; N338-L492 WeakPolarHBondContact ND2-CD2 3.43Å
339	H	36.2	Very low	33.7	Very low	131 Å²	131	94.2 Å²	94.2	61%	0.606	46%	0.457	S	S	*	.	H	α-helix	trans	-62.3	-36.8	172	-99.7	-51.7	0	0	0	112.6	K335 S336 Y337 E342 A343	K335-H339 PolarHBondContact O-N 3.34Å; K335-H339 VanDerWaalsContact O-N 3.12Å; S336-H339 PolarHBondContact O-N 3.39Å; Y337-H339 VanDerWaalsContact C-N 3.35Å; Y337-H339 PolarHBondContact O-N 2.82Å; H339-E342 IonicContact ND1-OE2 3.12Å; H339-A343 VanDerWaalsContact O-CB 3.29Å; H339-A343 WeakPolarHBondContact O-CB 3.31Å; H339-A343 PolarHBondContact O-N 3.18Å
340	I	35	Very low	33.7	Very low	112 Å²	112	93.7 Å²	93.7	57%	0.574	46%	0.459	S	S	*	.	H	α-helix	trans	-66.8	-43.5	175.3	-65.2	167	0	0	0	109.9	S336 Y337 N338 A343 F344	S336-I340 WeakPolarHBondContact O-CG1 3.21Å; S336-I340 PolarHBondContact O-N 3.13Å; Y337-I340 WeakPolarHBondContact O-CB 3.24Å; Y337-I340 PolarHBondContact O-N 3.2Å; N338-I340 VanDerWaalsContact C-N 3.3Å; N338-I340 PolarHBondContact O-N 3.23Å; I340-A343 PolarHBondContact O-N 3.29Å; I340-F344 VanDerWaalsContact O-CB 3.29Å; I340-F344 WeakPolarHBondContact O-CB 3.22Å; I340-F344 PolarHBondContact O-N 3.49Å
341	I	35.4	Very low	33.4	Very low	41 Å²	41	95.4 Å²	95.4	21%	0.21	47%	0.469	C	S	.	.	H	α-helix	trans	-61	-49.9	174.8	-74.4	174.8	0	0	0	110.5	Y337 N338 A343 F344 T345 Y485	Y337-I341 HydrophobicContact CD1-CD1 3.64Å; Y337-I341 HydrophobicContact CD1-CG1 4.45Å; Y337-I341 HydrophobicContact CE1-CD1 3.28Å; Y337-I341 HydrophobicContact CE1-CG1 4.2Å; Y337-I341 PolarHBondContact O-N 2.91Å; N338-I341 PolarHBondContact O-N 3.05Å; I341-A343 PolarHBondContact O-N 2.84Å; I341-F344 CarbonylContact O-C 3.35Å; I341-F344 PolarHBondContact O-N 2.95Å; I341-T345 WeakPolarHBondContact O-CB 3.04Å; I341-T345 PolarHBondContact O-N 3.14Å; I341-T345 PolarHBondContact O-OG1 2.73Å; I341-Y485 HydrophobicContact CG2-CD2 4.41Å; I341-Y485 HydrophobicContact CG2-CE2 3.41Å; I341-Y485 VanDerWaalsContact CG2-CE2 3.41Å; I341-Y485 WeakPolarHBondContact CG2-OH 3.32Å; I341-Y485 PolarHBondContact O-OH 2.58Å
342	E	35	Very low	33.3	Very low	47 Å²	47	90.9 Å²	90.9	22%	0.22	46%	0.459	C	S	.	.	H	α-helix	trans	-58.4	-46.3	178	-75.9	173.2	169.2	0	0	111.5	N338 H339 F344 T345 S346 L492	N338-E342 WeakPolarHBondContact O-CB 2.98Å; N338-E342 WeakPolarHBondContact O-CG 3.45Å; N338-E342 PolarHBondContact O-N 2.76Å; H339-E342 IonicContact ND1-OE2 3.12Å; E342-F344 VanDerWaalsContact C-N 3.32Å; E342-F344 PolarHBondContact O-N 2.75Å; E342-T345 PolarHBondContact O-N 3.24Å; E342-S346 WeakPolarHBondContact O-CB 3.14Å; E342-S346 PolarHBondContact O-N 3.06Å; E342-S346 PolarHBondContact O-OG 3.33Å; E342-L492 WeakPolarHBondContact OE1-CD2 3.26Å
343	A	38.4	Very low	32.9	Very low	61 Å²	61	92 Å²	92	50%	0.504	46%	0.46	S	S	.	.	H	α-helix	trans	-61.1	-40.5	176.4	0	0	0	0	0	112.3	H339 I340 I341 K347	H339-A343 VanDerWaalsContact O-CB 3.29Å; H339-A343 WeakPolarHBondContact O-CB 3.31Å; H339-A343 PolarHBondContact O-N 3.18Å; I340-A343 PolarHBondContact O-N 3.29Å; I341-A343 PolarHBondContact O-N 2.84Å; A343-K347 PolarHBondContact O-N 3.1Å; A343-K347 VanDerWaalsContact O-N 3.16Å
344	F	32.1	Very low	32.7	Very low	119 Å²	119	87.1 Å²	87.1	52%	0.522	45%	0.446	S	S	.	.	H	α-helix	trans	-70.8	-36.3	176.7	-156.7	-99.6	0	0	0	111.6	I340 I341 E342 L348	I340-F344 VanDerWaalsContact O-CB 3.29Å; I340-F344 WeakPolarHBondContact O-CB 3.22Å; I340-F344 PolarHBondContact O-N 3.49Å; I341-F344 CarbonylContact O-C 3.35Å; I341-F344 PolarHBondContact O-N 2.95Å; E342-F344 VanDerWaalsContact C-N 3.32Å; E342-F344 PolarHBondContact O-N 2.75Å; F344-L348 HydrophobicContact CD1-CD1 3.55Å; F344-L348 HydrophobicContact CD1-CG 4.31Å; F344-L348 HydrophobicContact CE1-CD1 3.64Å; F344-L348 HydrophobicContact CE1-CG 4.32Å; F344-L348 WeakPolarHBondContact O-CB 3.04Å; F344-L348 WeakPolarHBondContact O-CG 3.48Å; F344-L348 PolarHBondContact O-N 3.16Å
345	T	33.7	Very low	32.3	Very low	8 Å²	8	88.9 Å²	88.9	5%	0.049	45%	0.452	C	S	.	.	H	α-helix	trans	-68.2	-45.5	177	-36.7	0	0	0	0	111.8	I341 E342 K347 L348 M349 Y485 I489	I341-T345 WeakPolarHBondContact O-CB 3.04Å; I341-T345 PolarHBondContact O-N 3.14Å; I341-T345 PolarHBondContact O-OG1 2.73Å; E342-T345 PolarHBondContact O-N 3.24Å; T345-K347 VanDerWaalsContact C-N 3.29Å; T345-K347 PolarHBondContact O-N 3.07Å; T345-L348 CarbonylContact O-C 3.5Å; T345-L348 PolarHBondContact O-N 3.27Å; T345-M349 HydrophobicContact CG2-CE 4.08Å; T345-M349 HydrophobicContact CG2-CG 3.99Å; T345-M349 VanDerWaalsContact O-CB 3.27Å; T345-M349 WeakPolarHBondContact O-CB 3.49Å; T345-M349 WeakPolarHBondContact O-CG 3.47Å; T345-M349 PolarHBondContact O-N 3.17Å; T345-Y485 WeakPolarHBondContact CB-OH 3.47Å; T345-Y485 HydrophobicContact CG2-CD1 4.23Å; T345-Y485 HydrophobicContact CG2-CE1 3.28Å; T345-Y485 VanDerWaalsContact OG1-CZ 3.25Å; T345-Y485 PolarHBondContact OG1-OH 3.39Å; T345-I489 HydrophobicContact CG2-CD1 3.56Å; T345-I489 WeakPolarHBondContact OG1-CD1 3.24Å
346	S	34.6	Very low	32	Very low	69 Å²	69	91.7 Å²	91.7	48%	0.483	47%	0.467	S	S	.	.	H	α-helix	trans	-65.4	-36.1	179.1	-68.4	0	0	0	0	110.8	E342 N350	E342-S346 WeakPolarHBondContact O-CB 3.14Å; E342-S346 PolarHBondContact O-N 3.06Å; E342-S346 PolarHBondContact O-OG 3.33Å; S346-N350 VanDerWaalsContact O-CB 3.26Å; S346-N350 WeakPolarHBondContact O-CB 3.38Å; S346-N350 PolarHBondContact O-N 3.37Å; S346-N350 PolarHBondContact O-ND2 3.06Å
347	K	32.6	Very low	31.8	Very low	148 Å²	148	90 Å²	90	64%	0.643	46%	0.455	S	S	*	.	H	α-helix	trans	-67.5	-38.1	170.9	-91.6	-175.5	172.5	-171.8	0	113	A343 T345 N351	A343-K347 PolarHBondContact O-N 3.1Å; A343-K347 VanDerWaalsContact O-N 3.16Å; T345-K347 VanDerWaalsContact C-N 3.29Å; T345-K347 PolarHBondContact O-N 3.07Å; K347-N351 WeakPolarHBondContact O-CB 3.3Å; K347-N351 VanDerWaalsContact O-CG 3.31Å; K347-N351 PolarHBondContact O-N 3.49Å; K347-N351 PolarHBondContact O-ND2 3.42Å
348	L	31.9	Very low	31.4	Very low	84 Å²	84	89.9 Å²	89.9	44%	0.44	46%	0.459	S	S	.	.	H	α-helix	trans	-68.4	-43.7	174.5	-80.6	166	0	0	0	112.1	F344 T345 N351 S352	F344-L348 HydrophobicContact CD1-CD1 3.55Å; F344-L348 HydrophobicContact CD1-CG 4.31Å; F344-L348 HydrophobicContact CE1-CD1 3.64Å; F344-L348 HydrophobicContact CE1-CG 4.32Å; F344-L348 WeakPolarHBondContact O-CB 3.04Å; F344-L348 WeakPolarHBondContact O-CG 3.48Å; F344-L348 PolarHBondContact O-N 3.16Å; T345-L348 CarbonylContact O-C 3.5Å; T345-L348 PolarHBondContact O-N 3.27Å; L348-N351 CarbonylContact O-C 3.56Å; L348-N351 PolarHBondContact O-N 3.37Å; L348-S352 WeakPolarHBondContact O-CA 3.41Å; L348-S352 WeakPolarHBondContact O-CB 3.37Å; L348-S352 PolarHBondContact O-N 3.38Å; L348-S352 PolarHBondContact O-OG 2.85Å
349	M	27	Very low	31	Very low	78 Å²	78	94 Å²	94	38%	0.384	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-38.8	179.6	-72	-85.8	-168.5	0	0	112.3	T345 N351 S352 L486	T345-M349 HydrophobicContact CG2-CE 4.08Å; T345-M349 HydrophobicContact CG2-CG 3.99Å; T345-M349 VanDerWaalsContact O-CB 3.27Å; T345-M349 WeakPolarHBondContact O-CB 3.49Å; T345-M349 WeakPolarHBondContact O-CG 3.47Å; T345-M349 PolarHBondContact O-N 3.17Å; M349-N351 VanDerWaalsContact C-N 3.32Å; M349-S352 WeakPolarHBondContact CA-OG 3.24Å; M349-S352 PolarHBondContact O-N 3.44Å; M349-S352 PolarHBondContact O-OG 2.85Å; M349-L486 HydrophobicContact CE-CD2 3.51Å; M349-L486 HydrophobicContact CE-CG 4.23Å
350	N	31.6	Very low	30.7	Very low	127 Å²	127	91.2 Å²	91.2	68%	0.679	47%	0.472	S	S	*	.	H	α-helix	trans	-74	-23.9	176.4	-70	-10.8	0	0	0	112.6	S346	S346-N350 VanDerWaalsContact O-CB 3.26Å; S346-N350 WeakPolarHBondContact O-CB 3.38Å; S346-N350 PolarHBondContact O-N 3.37Å; S346-N350 PolarHBondContact O-ND2 3.06Å
351	N	28.1	Very low	30.3	Very low	126 Å²	126	89 Å²	89	67%	0.674	46%	0.461	S	S	*	.	H	α-helix	trans	-94.2	-9.8	172.8	-70.3	-10.6	0	0	0	113.1	K347 L348 M349	K347-N351 WeakPolarHBondContact O-CB 3.3Å; K347-N351 VanDerWaalsContact O-CG 3.31Å; K347-N351 PolarHBondContact O-N 3.49Å; K347-N351 PolarHBondContact O-ND2 3.42Å; L348-N351 CarbonylContact O-C 3.56Å; L348-N351 PolarHBondContact O-N 3.37Å; M349-N351 VanDerWaalsContact C-N 3.32Å
352	S	28.4	Very low	30.1	Very low	41 Å²	41	91.8 Å²	91.8	29%	0.287	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-93.2	-1.3	-173.4	65.3	0	0	0	0	114.6	L348 M349 D354 I355	L348-S352 WeakPolarHBondContact O-CA 3.41Å; L348-S352 WeakPolarHBondContact O-CB 3.37Å; L348-S352 PolarHBondContact O-N 3.38Å; L348-S352 PolarHBondContact O-OG 2.85Å; M349-S352 WeakPolarHBondContact CA-OG 3.24Å; M349-S352 PolarHBondContact O-N 3.44Å; M349-S352 PolarHBondContact O-OG 2.85Å; S352-D354 PolarHBondContact O-N 3.23Å; S352-I355 PolarHBondContact O-N 3.03Å
353	Y	26.1	Very low	29.9	Very low	180 Å²	180	95.8 Å²	95.8	71%	0.706	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-68.2	3.7	171.9	-94.8	-82.7	0	0	0	114	L534	Y353-L534 HydrophobicContact CE1-CD1 4.24Å
354	D	27.9	Very low	29.5	Very low	84 Å²	84	98.8 Å²	98.8	45%	0.449	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-132.2	14.4	177.4	-135	31.5	0	0	0	113.6	S352 Q356 S357 I358	S352-D354 PolarHBondContact O-N 3.23Å; D354-Q356 VanDerWaalsContact C-N 3.35Å; D354-Q356 PolarHBondContact O-N 3.46Å; D354-S357 CarbonylContact O-C 3.45Å; D354-S357 WeakPolarHBondContact O-CA 3.5Å; D354-S357 WeakPolarHBondContact O-CB 3.41Å; D354-S357 PolarHBondContact O-N 3.38Å; D354-S357 VanDerWaalsContact O-N 3.11Å; D354-S357 WeakPolarHBondContact OD1-CB 3.49Å; D354-S357 PolarHBondContact OD1-OG 2.85Å; D354-S357 PolarHBondContact OD2-OG 3.37Å; D354-I358 HydrophobicContact CB-CD1 4.43Å; D354-I358 WeakPolarHBondContact O-CB 3.25Å; D354-I358 WeakPolarHBondContact O-CD1 3.49Å; D354-I358 WeakPolarHBondContact O-CG1 3.4Å; D354-I358 PolarHBondContact O-N 3.49Å
355	I	26.4	Very low	29.5	Very low	106 Å²	106	97.8 Å²	97.8	54%	0.544	50%	0.498	S	S	.	.	H	α-helix	trans	-70.2	-29.8	-177.9	-66	174.4	0	0	0	112.7	S352 I358 H359	S352-I355 PolarHBondContact O-N 3.03Å; I355-I358 HydrophobicContact CG1-CD1 4.5Å; I355-H359 PolarHBondContact O-N 2.9Å
356	Q	26.4	Very low	29.4	Very low	164 Å²	164	105.9 Å²	105.9	77%	0.766	53%	0.532	S	S	*	.	H	α-helix	trans	-74.9	-28.7	170.1	-78.5	178.3	-11.4	0	0	112.4	D354 S360	D354-Q356 VanDerWaalsContact C-N 3.35Å; D354-Q356 PolarHBondContact O-N 3.46Å; Q356-S360 WeakPolarHBondContact O-CB 3.44Å; Q356-S360 PolarHBondContact O-N 3.42Å; Q356-S360 VanDerWaalsContact O-N 3.16Å; Q356-S360 PolarHBondContact O-OG 2.99Å
357	S	29.5	Very low	29.2	Very low	36 Å²	36	104.9 Å²	104.9	25%	0.252	53%	0.526	S	S	.	.	H	α-helix	trans	-73.8	-38.7	172	-171.1	0	0	0	0	110.9	D354 H359 S360 N361	D354-S357 CarbonylContact O-C 3.45Å; D354-S357 WeakPolarHBondContact O-CA 3.5Å; D354-S357 WeakPolarHBondContact O-CB 3.41Å; D354-S357 PolarHBondContact O-N 3.38Å; D354-S357 VanDerWaalsContact O-N 3.11Å; D354-S357 WeakPolarHBondContact OD1-CB 3.49Å; D354-S357 PolarHBondContact OD1-OG 2.85Å; D354-S357 PolarHBondContact OD2-OG 3.37Å; S357-H359 PolarHBondContact O-N 3.35Å; S357-S360 CarbonylContact O-C 3.57Å; S357-S360 PolarHBondContact O-N 2.86Å; S357-N361 WeakPolarHBondContact O-CA 3.37Å; S357-N361 WeakPolarHBondContact O-CB 3.31Å; S357-N361 PolarHBondContact O-N 3.43Å; S357-N361 PolarHBondContact O-ND2 2.91Å; S357-N361 PolarHBondContact O-OD1 2.77Å; S357-N361 PolarHBondContact OG-ND2 3.33Å
358	I	27	Very low	29.3	Very low	82 Å²	82	106 Å²	106	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-38.9	176.9	-70	160.1	0	0	0	111.1	D354 I355 N361 E362	D354-I358 HydrophobicContact CB-CD1 4.43Å; D354-I358 WeakPolarHBondContact O-CB 3.25Å; D354-I358 WeakPolarHBondContact O-CD1 3.49Å; D354-I358 WeakPolarHBondContact O-CG1 3.4Å; D354-I358 PolarHBondContact O-N 3.49Å; I355-I358 HydrophobicContact CG1-CD1 4.5Å; I358-N361 PolarHBondContact O-N 3Å; I358-E362 VanDerWaalsContact O-CB 3.3Å; I358-E362 WeakPolarHBondContact O-CB 3.48Å; I358-E362 VanDerWaalsContact O-CG 3.32Å; I358-E362 WeakPolarHBondContact O-CG 3.45Å; I358-E362 PolarHBondContact O-N 3.12Å
359	H	27.5	Very low	29.3	Very low	130 Å²	130	108.8 Å²	108.8	60%	0.602	55%	0.554	S	S	*	*	H	α-helix	trans	-79	-26.7	177.8	-135.7	49.3	0	0	0	113.4	I355 S357 E362 I363	I355-H359 PolarHBondContact O-N 2.9Å; S357-H359 PolarHBondContact O-N 3.35Å; H359-E362 IonicContact CE1-OE2 2.69Å; H359-E362 IonicContact ND1-OE2 3.55Å; H359-E362 PolarHBondContact ND1-OE2 3.27Å; H359-E362 VanDerWaalsContact ND1-OE2 3.15Å; H359-I363 WeakPolarHBondContact O-CD1 3.46Å; H359-I363 WeakPolarHBondContact O-CG1 3.29Å
360	S	29.9	Very low	29.6	Very low	72 Å²	72	108.3 Å²	108.3	50%	0.503	55%	0.552	S	S	.	*	H	α-helix	trans	-79.6	-27.6	169.4	-72.6	0	0	0	0	112.8	Q356 S357 H364	Q356-S360 WeakPolarHBondContact O-CB 3.44Å; Q356-S360 PolarHBondContact O-N 3.42Å; Q356-S360 VanDerWaalsContact O-N 3.16Å; Q356-S360 PolarHBondContact O-OG 2.99Å; S357-S360 CarbonylContact O-C 3.57Å; S357-S360 PolarHBondContact O-N 2.86Å; S360-H364 PolarHBondContact O-N 3.05Å
361	N	28	Very low	29.9	Very low	66 Å²	66	106.3 Å²	106.3	35%	0.353	54%	0.542	S	S	.	.	H	α-helix	trans	-87.2	-26.1	179.2	-65.9	-21.9	0	0	0	112.1	S357 I358 I363 H364 L365	S357-N361 WeakPolarHBondContact O-CA 3.37Å; S357-N361 WeakPolarHBondContact O-CB 3.31Å; S357-N361 PolarHBondContact O-N 3.43Å; S357-N361 PolarHBondContact O-ND2 2.91Å; S357-N361 PolarHBondContact O-OD1 2.77Å; S357-N361 PolarHBondContact OG-ND2 3.33Å; I358-N361 PolarHBondContact O-N 3Å; N361-I363 PolarHBondContact O-N 3.45Å; N361-H364 CarbonylContact O-C 3.59Å; N361-H364 PolarHBondContact O-N 2.9Å; N361-L365 VanDerWaalsContact O-CB 3.31Å; N361-L365 WeakPolarHBondContact O-CB 3.11Å; N361-L365 WeakPolarHBondContact O-CD1 3.45Å; N361-L365 VanDerWaalsContact O-CG 3.26Å; N361-L365 WeakPolarHBondContact O-CG 3.38Å; N361-L365 PolarHBondContact O-N 3.41Å
362	E	30.9	Very low	30.5	Very low	100 Å²	100	107.6 Å²	107.6	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-65.2	-22.5	166.2	-87.9	-177.2	141.6	0	0	113	I358 H359 K366	I358-E362 VanDerWaalsContact O-CB 3.3Å; I358-E362 WeakPolarHBondContact O-CB 3.48Å; I358-E362 VanDerWaalsContact O-CG 3.32Å; I358-E362 WeakPolarHBondContact O-CG 3.45Å; I358-E362 PolarHBondContact O-N 3.12Å; H359-E362 IonicContact CE1-OE2 2.69Å; H359-E362 IonicContact ND1-OE2 3.55Å; H359-E362 PolarHBondContact ND1-OE2 3.27Å; H359-E362 VanDerWaalsContact ND1-OE2 3.15Å; E362-K366 WeakPolarHBondContact O-CD 3.43Å; E362-K366 WeakPolarHBondContact O-CG 3.23Å
363	I	30.9	Very low	30.9	Very low	130 Å²	130	113.6 Å²	113.6	67%	0.667	56%	0.561	S	S	*	*	H	α-helix	trans	-86.1	-32.9	172.6	-63.2	171.4	0	0	0	110.3	H359 N361	H359-I363 WeakPolarHBondContact O-CD1 3.46Å; H359-I363 WeakPolarHBondContact O-CG1 3.29Å; N361-I363 PolarHBondContact O-N 3.45Å
364	H	29.1	Very low	31.4	Very low	124 Å²	124	108.9 Å²	108.9	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-76.7	-27.6	173.8	-96.7	-81.7	0	0	0	114.6	S360 N361 K366 S367 I370	S360-H364 PolarHBondContact O-N 3.05Å; N361-H364 CarbonylContact O-C 3.59Å; N361-H364 PolarHBondContact O-N 2.9Å; H364-K366 VanDerWaalsContact C-N 3.27Å; H364-K366 PolarHBondContact O-N 3.23Å; H364-S367 PolarHBondContact O-OG 3.01Å; H364-S367 VanDerWaalsContact O-OG 3.08Å; H364-I370 WeakPolarHBondContact O-CD1 3.41Å
365	L	32.3	Very low	32	Very low	99 Å²	99	112.3 Å²	112.3	52%	0.518	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-5.1	178	-74.8	162.8	0	0	0	113.5	N361 I370	N361-L365 VanDerWaalsContact O-CB 3.31Å; N361-L365 WeakPolarHBondContact O-CB 3.11Å; N361-L365 WeakPolarHBondContact O-CD1 3.45Å; N361-L365 VanDerWaalsContact O-CG 3.26Å; N361-L365 WeakPolarHBondContact O-CG 3.38Å; N361-L365 PolarHBondContact O-N 3.41Å; L365-I370 HydrophobicContact CD2-CD1 4.03Å
366	K	32.1	Very low	32.7	Very low	177 Å²	177	111.4 Å²	111.4	77%	0.77	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-2.3	173.6	-73.2	178.7	-178.6	173.5	0	113.1	E362 H364	E362-K366 WeakPolarHBondContact O-CD 3.43Å; E362-K366 WeakPolarHBondContact O-CG 3.23Å; H364-K366 VanDerWaalsContact C-N 3.27Å; H364-K366 PolarHBondContact O-N 3.23Å
367	S	30.3	Very low	33.4	Very low	49 Å²	49	106.9 Å²	106.9	34%	0.343	53%	0.532	S	S	.	.	S	Bend	trans	-83.9	140	169	71.6	0	0	0	0	110	H364 D369	H364-S367 PolarHBondContact O-OG 3.01Å; H364-S367 VanDerWaalsContact O-OG 3.08Å; S367-D369 PolarHBondContact O-N 3.4Å
368	N	33.2	Very low	33.5	Very low	170 Å²	170	112 Å²	112	91%	0.909	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	18.9	-176.1	-75.2	-26.3	0	0	0	113.9
369	D	33.3	Very low	34.1	Very low	144 Å²	144	113 Å²	113	77%	0.77	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	14.6	-163.3	-62.8	-39.4	0	0	0	114.6	S367	S367-D369 PolarHBondContact O-N 3.4Å
370	I	33.8	Very low	34.7	Very low	68 Å²	68	109.5 Å²	109.5	35%	0.349	55%	0.546	S	S	.	.			trans	-105.2	122.6	-179.6	-57.7	174.1	0	0	0	110.3	H364 L365 D374	H364-I370 WeakPolarHBondContact O-CD1 3.41Å; L365-I370 HydrophobicContact CD2-CD1 4.03Å; I370-D374 HydrophobicContact CG2-CB 3.98Å
371	N	37.4	Very low	34.9	Very low	85 Å²	85	111.2 Å²	111.2	46%	0.455	55%	0.549	S	S	.	.			trans	-62.9	154.8	-179.1	68.4	46.4	0	0	0	112.3	Y373 D374 R375	N371-Y373 PolarHBondContact O-N 2.97Å; N371-Y373 PolarHBondContact OD1-N 3.21Å; N371-D374 VanDerWaalsContact CG-OD2 3.31Å; N371-D374 PolarHBondContact ND2-OD2 3.13Å; N371-D374 PolarHBondContact O-N 3.32Å; N371-D374 WeakPolarHBondContact OD1-CB 3.37Å; N371-D374 VanDerWaalsContact OD1-CG 3.23Å; N371-D374 PolarHBondContact OD1-N 2.83Å; N371-D374 PolarHBondContact OD1-OD2 3.34Å; N371-D374 VanDerWaalsContact OD1-OD2 3.05Å; N371-R375 PolarHBondContact O-N 3.17Å
372	E	39.7	Very low	35.2	Very low	152 Å²	152	115.5 Å²	115.5	71%	0.71	56%	0.561	S	S	*	*	H	α-helix	trans	-64.1	-24.7	-176.3	-170.5	171.4	-175.7	0	0	113.3	N376	E372-N376 VanDerWaalsContact O-CB 3.31Å; E372-N376 WeakPolarHBondContact O-CB 3.47Å; E372-N376 PolarHBondContact O-N 3.04Å; E372-N376 PolarHBondContact O-ND2 2.98Å; E372-N376 VanDerWaalsContact O-ND2 3.14Å
373	Y	36.5	Very low	35.2	Very low	167 Å²	167	112.6 Å²	112.6	66%	0.655	56%	0.558	S	S	*	*	H	α-helix	trans	-67.8	-45.8	178	-176.3	-97.9	0	0	0	112.2	N371 N376 N377	N371-Y373 PolarHBondContact O-N 2.97Å; N371-Y373 PolarHBondContact OD1-N 3.21Å; Y373-N376 PolarHBondContact O-N 2.97Å; Y373-N377 PolarHBondContact O-N 3.02Å
374	D	37.2	Very low	35.2	Very low	81 Å²	81	114.3 Å²	114.3	43%	0.433	56%	0.561	S	S	.	*	H	α-helix	trans	-72	-33.1	-179.5	-68.3	-35.2	0	0	0	111.8	I370 N371 Y378	I370-D374 HydrophobicContact CG2-CB 3.98Å; N371-D374 VanDerWaalsContact CG-OD2 3.31Å; N371-D374 PolarHBondContact ND2-OD2 3.13Å; N371-D374 PolarHBondContact O-N 3.32Å; N371-D374 WeakPolarHBondContact OD1-CB 3.37Å; N371-D374 VanDerWaalsContact OD1-CG 3.23Å; N371-D374 PolarHBondContact OD1-N 2.83Å; N371-D374 PolarHBondContact OD1-OD2 3.34Å; N371-D374 VanDerWaalsContact OD1-OD2 3.05Å; D374-Y378 PolarHBondContact O-N 3.13Å
375	R	40	Very low	35.2	Very low	157 Å²	157	113.5 Å²	113.5	59%	0.592	56%	0.561	S	S	*	*	H	α-helix	trans	-66.5	-42.8	172.4	-166.5	-178.3	-109.6	153.3	-1.8	111.7	N371 Y378 I379	N371-R375 PolarHBondContact O-N 3.17Å; R375-Y378 PolarHBondContact O-N 2.93Å; R375-I379 HydrophobicContact CG-CD1 4.21Å; R375-I379 WeakPolarHBondContact O-CG1 3.45Å; R375-I379 PolarHBondContact O-N 3.19Å; R375-I379 VanDerWaalsContact O-N 3.16Å
376	N	42.4	Very low	35	Very low	87 Å²	87	116.4 Å²	116.4	47%	0.465	57%	0.574	S	S	.	*	H	α-helix	trans	-72.3	-34.6	-179.6	-74.5	-25.1	0	0	0	112.8	E372 Y373 I379 A380	E372-N376 VanDerWaalsContact O-CB 3.31Å; E372-N376 WeakPolarHBondContact O-CB 3.47Å; E372-N376 PolarHBondContact O-N 3.04Å; E372-N376 PolarHBondContact O-ND2 2.98Å; E372-N376 VanDerWaalsContact O-ND2 3.14Å; Y373-N376 PolarHBondContact O-N 2.97Å; N376-I379 PolarHBondContact O-N 3.01Å; N376-A380 VanDerWaalsContact O-CB 3.26Å; N376-A380 WeakPolarHBondContact O-CB 3.35Å; N376-A380 PolarHBondContact O-N 3.01Å
377	N	39.4	Very low	34.8	Very low	68 Å²	68	116.7 Å²	116.7	36%	0.364	58%	0.575	S	S	.	*	H	α-helix	trans	-66	-37.7	172.8	-105.8	-23.2	0	0	0	112.6	Y373 A380 N381	Y373-N377 PolarHBondContact O-N 3.02Å; N377-A380 PolarHBondContact O-N 3.06Å; N377-N381 WeakPolarHBondContact O-CB 3.42Å; N377-N381 PolarHBondContact O-N 3.5Å; N377-N381 PolarHBondContact O-ND2 3.49Å
378	Y	33.5	Very low	34.8	Very low	145 Å²	145	118.6 Å²	118.6	57%	0.569	59%	0.585	S	S	*	*	H	α-helix	trans	-68	-40.8	177	-163.9	-93	0	0	0	112.2	D374 R375 Y382	D374-Y378 PolarHBondContact O-N 3.13Å; R375-Y378 PolarHBondContact O-N 2.93Å; Y378-Y382 HydrophobicContact CD2-CD2 4.25Å; Y378-Y382 HydrophobicContact CE2-CD2 4.28Å; Y378-Y382 PolarHBondContact O-N 3.32Å; Y378-Y382 VanDerWaalsContact O-N 3.12Å
379	I	38.6	Very low	34.6	Very low	101 Å²	101	116.2 Å²	116.2	52%	0.518	57%	0.568	S	S	.	*	H	α-helix	trans	-68.3	-37.7	175.8	-66.1	167.5	0	0	0	111.4	R375 N376 G383	R375-I379 HydrophobicContact CG-CD1 4.21Å; R375-I379 WeakPolarHBondContact O-CG1 3.45Å; R375-I379 PolarHBondContact O-N 3.19Å; R375-I379 VanDerWaalsContact O-N 3.16Å; N376-I379 PolarHBondContact O-N 3.01Å; I379-G383 VanDerWaalsContact O-CA 3.3Å; I379-G383 WeakPolarHBondContact O-CA 3.49Å; I379-G383 PolarHBondContact O-N 3.05Å
380	A	41.3	Very low	34.2	Very low	58 Å²	58	112.6 Å²	112.6	48%	0.479	56%	0.558	S	S	.	*	H	α-helix	trans	-69.2	-36.5	178.7	0	0	0	0	0	113.2	N376 N377	N376-A380 VanDerWaalsContact O-CB 3.26Å; N376-A380 WeakPolarHBondContact O-CB 3.35Å; N376-A380 PolarHBondContact O-N 3.01Å; N377-A380 PolarHBondContact O-N 3.06Å
381	N	34	Very low	33.9	Very low	107 Å²	107	113.5 Å²	113.5	57%	0.572	57%	0.567	S	S	*	*	H	α-helix	trans	-88	-25.5	-175.8	-72.4	-26.7	0	0	0	114.5	N377	N377-N381 WeakPolarHBondContact O-CB 3.42Å; N377-N381 PolarHBondContact O-N 3.5Å; N377-N381 PolarHBondContact O-ND2 3.49Å
382	Y	33.4	Very low	33.4	Very low	156 Å²	156	114.5 Å²	114.5	61%	0.612	57%	0.571	S	S	*	*	H	α-helix	trans	-124.7	-7.1	-174.7	-64.2	-82.5	0	0	0	114.4	Y378	Y378-Y382 HydrophobicContact CD2-CD2 4.25Å; Y378-Y382 HydrophobicContact CE2-CD2 4.28Å; Y378-Y382 PolarHBondContact O-N 3.32Å; Y378-Y382 VanDerWaalsContact O-N 3.12Å
383	G	31	Very low	32.8	Very low	39 Å²	39	113.5 Å²	113.5	40%	0.402	57%	0.57	S	S	.	*	S	Bend	trans	-85.9	-12.5	-176.9	0	0	0	0	0	115.9	I379	I379-G383 VanDerWaalsContact O-CA 3.3Å; I379-G383 WeakPolarHBondContact O-CA 3.49Å; I379-G383 PolarHBondContact O-N 3.05Å
384	K	31.2	Very low	32.3	Very low	167 Å²	167	109.8 Å²	109.8	73%	0.726	57%	0.565	S	S	*	*	S	Bend	trans	-87.2	-27.6	-176.8	-80	-179.9	177.5	173.6	0	114	T388	K384-T388 PolarHBondContact O-OG1 3.27Å
385	D	28.7	Very low	31.9	Very low	107 Å²	107	111.8 Å²	111.8	57%	0.572	57%	0.572	S	S	*	*	H	α-helix	trans	-81	-18.2	-173.1	-67	-26.5	0	0	0	114.1
386	M	27	Very low	31.3	Very low	160 Å²	160	110.8 Å²	110.8	79%	0.788	57%	0.574	S	S	*	*	H	α-helix	trans	-80.4	-16.8	-180	-62.4	-164.4	95	0	0	114.8
387	K	28.8	Very low	30.6	Very low	183 Å²	183	112.4 Å²	112.4	80%	0.796	58%	0.582	S	S	*	*	H	α-helix	trans	-93.5	-21.4	-179.7	-79	-177	177.8	177.4	0	113.6
388	T	30.7	Very low	30.1	Very low	88 Å²	88	116.2 Å²	116.2	54%	0.54	60%	0.598	S	S	.	*	H	α-helix	trans	-88.5	-28.6	178.6	23.7	0	0	0	0	112.8	K384	K384-T388 PolarHBondContact O-OG1 3.27Å
389	E	28.3	Very low	29.9	Very low	120 Å²	120	117.4 Å²	117.4	56%	0.561	61%	0.606	S	S	*	*	H	α-helix	trans	-79.1	-17.5	178.2	-91.5	-175.1	143	0	0	114.8	V391 L392	E389-V391 PolarHBondContact O-N 2.86Å; E389-L392 PolarHBondContact O-N 3.46Å
390	A	26.2	Very low	29.4	Very low	68 Å²	68	119.1 Å²	119.1	56%	0.562	61%	0.614	S	S	*	*	H	α-helix	trans	-71.2	-16.1	173.8	0	0	0	0	0	113.7
391	V	26.2	Very low	28.7	Very low	88 Å²	88	121.6 Å²	121.6	53%	0.533	62%	0.62	S	S	.	*	H	α-helix	trans	-93.9	-20.3	179.9	179.6	0	0	0	0	112.2	E389 T394	E389-V391 PolarHBondContact O-N 2.86Å; V391-T394 PolarHBondContact O-OG1 2.98Å
392	L	26.5	Very low	28.4	Very low	105 Å²	105	123.5 Å²	123.5	55%	0.55	63%	0.63	S	S	.	*	H	α-helix	trans	-89.3	-24.6	-179.2	-69.8	169.2	0	0	0	113.1	E389 Q395	E389-L392 PolarHBondContact O-N 3.46Å; L392-Q395 PolarHBondContact O-N 3.13Å
393	L	27.4	Very low	28	Very low	131 Å²	131	121.1 Å²	121.1	69%	0.686	63%	0.632	S	S	*	*	H	α-helix	trans	-77.3	-19.4	177.4	-78.6	159.8	0	0	0	113.8
394	T	26.4	Very low	27.6	Very low	89 Å²	89	127.7 Å²	127.7	55%	0.546	65%	0.652	S	S	.	*	H	α-helix	trans	-82	-24.9	172.4	35	0	0	0	0	113	V391	V391-T394 PolarHBondContact O-OG1 2.98Å
395	Q	28	Very low	27.3	Very low	124 Å²	124	129 Å²	129	58%	0.579	66%	0.658	S	S	*	*	H	α-helix	trans	-78.4	-24.2	178.2	-71	-178.7	-13.3	0	0	113.6	L392	L392-Q395 PolarHBondContact O-N 3.13Å
396	H	27.8	Very low	27.1	Very low	135 Å²	135	134.4 Å²	134.4	63%	0.625	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-82.2	-14.9	-177.3	-123	-76.4	0	0	0	114.5	H398	H396-H398 VanDerWaalsContact C-N 3.34Å
397	N	28.8	Very low	27	Very low	121 Å²	121	133.1 Å²	133.1	65%	0.647	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-76.4	-18.4	173.5	-81	-23.9	0	0	0	113.3
398	H	28.7	Very low	26.9	Very low	148 Å²	148	130.7 Å²	130.7	69%	0.685	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-87.1	-2.5	-177.9	-82.5	-71	0	0	0	115.3	H396	H396-H398 VanDerWaalsContact C-N 3.34Å
399	K	28.6	Very low	26.7	Very low	170 Å²	170	131.8 Å²	131.8	74%	0.739	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-97.2	-3.8	179.8	-80	-176.2	177.8	176.6	0	115
400	I	28.6	Very low	26.7	Very low	137 Å²	137	130.3 Å²	130.3	70%	0.703	67%	0.671	S	S	*	*	S	Bend	trans	-100.9	-8	-176.3	-60.7	179.9	0	0	0	112.6	N402	I400-N402 PolarHBondContact O-N 3.47Å
401	D	26.8	Very low	26.7	Very low	110 Å²	110	134.3 Å²	134.3	59%	0.588	68%	0.683	S	S	*	*	S	Bend	trans	-87.7	7.7	-178.6	-80.3	-37.2	0	0	0	116.2
402	N	26.3	Very low	26.8	Very low	147 Å²	147	136 Å²	136	79%	0.786	70%	0.698	S	S	*	*			trans	-128	38.1	-173.8	-81.1	-31.7	0	0	0	115.3	I400	I400-N402 PolarHBondContact O-N 3.47Å
403	V	25.6	Very low	26.7	Very low	107 Å²	107	138.3 Å²	138.3	65%	0.648	71%	0.712	S	S	*	*			trans	-112.6	75.5	168.6	-173.8	0	0	0	0	110.1	F405	V403-F405 HydrophobicContact CG1-CD2 3.32Å; V403-F405 HydrophobicContact CG1-CE2 3.4Å; V403-F405 PolarHBondContact O-N 3.45Å
404	E	22.3	Very low	26.7	Very low	176 Å²	176	137.6 Å²	137.6	82%	0.822	72%	0.715	S	S	*	*			trans	-69.4	116.7	158.8	-78.5	-170.1	147.5	0	0	108.9
405	F	25.6	Very low	26.6	Very low	194 Å²	194	141.8 Å²	141.8	85%	0.851	73%	0.73	S	S	*	*			trans	-120.3	109.3	159.2	-82.1	-69.1	0	0	0	110.4	V403	V403-F405 HydrophobicContact CG1-CD2 3.32Å; V403-F405 HydrophobicContact CG1-CE2 3.4Å; V403-F405 PolarHBondContact O-N 3.45Å
406	R	24.9	Very low	26.5	Very low	222 Å²	222	142 Å²	142	84%	0.838	74%	0.736	S	S	*	*			trans	-50.4	139.1	-179.6	-71.6	174.9	175.6	175.5	-3.3	112.3	V408	R406-V408 PolarHBondContact O-N 3.34Å
407	K	24	Very low	26.2	Very low	132 Å²	132	142.6 Å²	142.6	57%	0.574	74%	0.743	S	S	*	*			trans	-63.7	120.2	165.3	-71.9	-174.3	172.8	74.6	0	109.2	K261	K261-K407 VanDerWaalsContact CE-CE 3.41Å
408	V	26.4	Very low	26	Very low	133 Å²	133	141.6 Å²	141.6	81%	0.806	75%	0.745	S	S	*	*			trans	-108.9	105.1	164.1	-178.1	0	0	0	0	107.4	R406	R406-V408 PolarHBondContact O-N 3.34Å
409	N	28.2	Very low	25.9	Very low	111 Å²	111	141.8 Å²	141.8	59%	0.594	75%	0.751	S	S	*	*			trans	-76.7	116.9	163.8	-81.2	-28.3	0	0	0	107	K260 N411	K260-N409 PolarHBondContact NZ-OD1 2.95Å; N409-N411 PolarHBondContact O-N 3.01Å
410	A	26.7	Very low	25.7	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	75%	0.745	S	S	*	*			trans	-77.9	111.1	163.2	0	0	0	0	0	108.1
411	N	26.9	Very low	25.5	Very low	153 Å²	153	136.3 Å²	136.3	82%	0.818	75%	0.746	S	S	*	*			trans	-164.7	133.9	145.6	-88.1	-11.5	0	0	0	106.3	N409	N409-N411 PolarHBondContact O-N 3.01Å
412	S	29.2	Very low	25.5	Very low	122 Å²	122	140 Å²	140	85%	0.853	76%	0.757	S	S	*	*			trans	75.9	109.1	175.5	60.8	0	0	0	0	119.3
413	D	24.4	Very low	25.4	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	76%	0.759	S	S	*	*			trans	-62	-175.7	164	-53.6	-60.8	0	0	0	113.4
414	P	26.8	Very low	25.3	Very low	116 Å²	116	142 Å²	142	75%	0.753	76%	0.762	S	S	*	*			cis	-127.5	-173.3	-43.8	28.3	-7.3	0	0	0	111.9
415	M	25.1	Very low	25.4	Very low	177 Å²	177	138 Å²	138	87%	0.872	75%	0.75	S	S	*	*			trans	102.8	118.7	157.9	-74	-161.2	164.5	0	0	121.2
416	D	24.4	Very low	25.3	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	75%	0.746	S	S	*	*			trans	54.7	112.6	140.7	-86.9	-17.7	0	0	0	124.4
417	L	22.6	Very low	25.3	Very low	147 Å²	147	131.6 Å²	131.6	77%	0.77	74%	0.736	S	S	*	*				41.1	113.7	121.2	-64.5	171	0	0	0	118.5
418	S	24.4	Very low	25.4	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	75%	0.749	S	S	*	*				144.6	140	106.4	62.6	0	0	0	0	112.5
419	N	26.4	Very low	25.3	Very low	151 Å²	151	133.1 Å²	133.1	81%	0.807	74%	0.738	S	S	*	*			trans	69.2	146.2	153	-67.2	-11.7	0	0	0	118.8
420	S	23.5	Very low	25.3	Very low	87 Å²	87	136.7 Å²	136.7	61%	0.608	75%	0.751	S	S	*	*			cis	166.4	137.4	-25.7	47.1	0	0	0	0	103.4
421	S	25.8	Very low	25.4	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	75%	0.754	S	S	*	*			trans	64.2	156.6	155	69.8	0	0	0	0	117.8
422	K	25.7	Very low	25.5	Very low	189 Å²	189	137.6 Å²	137.6	82%	0.822	75%	0.748	S	S	*	*			cis	-176.2	172.5	-18.3	-98.2	177.8	173.3	173.4	0	102.3
423	I	25	Very low	25.3	Very low	159 Å²	159	139.4 Å²	139.4	82%	0.815	75%	0.746	S	S	*	*			trans	102.9	95.7	154.6	-57.8	150.1	0	0	0	117.1
424	N	23.9	Very low	25.4	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	74%	0.736	S	S	*	*				75.5	124.1	106.2	-117.3	23.8	0	0	0	123.8
425	T	23.7	Very low	25.5	Very low	94 Å²	94	138.4 Å²	138.4	58%	0.577	75%	0.745	S	S	*	*				71.6	123.6	129.8	48.9	0	0	0	0	123.8
426	Q	24	Very low	25.6	Very low	162 Å²	162	140 Å²	140	76%	0.757	75%	0.747	S	S	*	*			trans	67.3	115.7	130.3	-71.2	-177	-14.9	0	0	120.4
427	N	23.9	Very low	25.8	Very low	119 Å²	119	137.7 Å²	137.7	64%	0.636	75%	0.754	S	S	*	*				153.4	156.1	105	-84.1	-36	0	0	0	114.5
428	Y	26.8	Very low	25.8	Very low	214 Å²	214	139.6 Å²	139.6	84%	0.839	76%	0.756	S	S	*	*			trans	101.3	132.3	148.7	-68.5	-68.1	0	0	0	122.1
429	S	23.7	Very low	26	Very low	83 Å²	83	143.1 Å²	143.1	58%	0.58	77%	0.765	S	S	*	*			trans	-78.4	166	-173	47.6	0	0	0	0	115.4
430	H	29.7	Very low	25.8	Very low	186 Å²	186	142.9 Å²	142.9	86%	0.861	76%	0.759	S	S	*	*				-177.3	132.6	120.5	-93.6	-69.1	0	0	0	111.7
431	I	28.3	Very low	25.8	Very low	153 Å²	153	145.1 Å²	145.1	79%	0.785	76%	0.76	S	S	*	*			trans	-104.3	162	167.3	-52.2	164.5	0	0	0	107.3
432	P	27.5	Very low	25.8	Very low	106 Å²	106	146.3 Å²	146.3	69%	0.688	75%	0.752	S	S	*	*				-152.2	146.5	109.7	24.2	-0.6	0	0	0	119.3
433	I	26.3	Very low	25.6	Very low	161 Å²	161	146.2 Å²	146.2	83%	0.826	75%	0.746	S	S	*	*				67.5	147.7	127.6	-56.2	166.6	0	0	0	119.5
434	A	25.9	Very low	25.6	Very low	75 Å²	75	144.1 Å²	144.1	62%	0.62	74%	0.737	S	S	*	*			cis	178.1	145.6	-27.5	0	0	0	0	0	106.7
435	N	29	Very low	25.7	Very low	174 Å²	174	145.2 Å²	145.2	93%	0.93	74%	0.735	S	S	*	*			trans	-174.5	129.1	131.5	-102	-16.5	0	0	0	113.1
436	K	27.1	Very low	25.7	Very low	211 Å²	211	146.6 Å²	146.6	92%	0.917	74%	0.739	S	S	*	*			trans	-91.2	152.7	176.6	-75.1	171.9	171.8	172.7	0	110.2
437	G	27.8	Very low	25.9	Very low	81 Å²	81	146.5 Å²	146.5	84%	0.835	74%	0.744	S	S	*	*			trans	-163.8	101.1	161.6	0	0	0	0	0	111.2
438	K	24.6	Very low	25.9	Very low	187 Å²	187	147.9 Å²	147.9	81%	0.813	75%	0.751	S	S	*	*			trans	-79.1	137.8	167.4	-72.6	177.3	169.7	-170.7	0	108.9
439	I	27.7	Very low	25.9	Very low	174 Å²	174	143.2 Å²	143.2	89%	0.892	75%	0.747	S	S	*	*			trans	-142.7	121.7	144.4	-62.6	-172.8	0	0	0	108.3
440	E	22.3	Very low	25.8	Very low	145 Å²	145	145.8 Å²	145.8	68%	0.678	75%	0.753	S	S	*	*			trans	-79.5	174.7	176.5	-67.1	166.5	161.5	0	0	111.7
441	E	23.7	Very low	25.5	Very low	135 Å²	135	146.3 Å²	146.3	63%	0.631	75%	0.753	S	S	*	*			trans	96.5	121.2	139.7	-87.8	-171.2	151	0	0	121
442	K	25.9	Very low	25.3	Very low	130 Å²	130	144.3 Å²	144.3	57%	0.565	75%	0.752	S	S	*	*				109	98.1	128.3	-77	162.8	179	152.9	0	118.8
443	R	22.1	Very low	25.1	Very low	187 Å²	187	148.4 Å²	148.4	71%	0.706	76%	0.759	S	S	*	*				75.9	122.6	112	-75.3	179.4	-158.8	170.7	5.8	118.9
444	N	24.7	Very low	25	Very low	114 Å²	114	147.2 Å²	147.2	61%	0.61	76%	0.76	S	S	*	*				79.6	149.6	124.6	-70.2	0.8	0	0	0	117.5
445	F	24.8	Very low	24.9	Very low	158 Å²	158	148.7 Å²	148.7	69%	0.693	77%	0.765	S	S	*	*			cis	-160.9	147.4	9.5	-104	-58.7	0	0	0	106.9
446	N	24.2	Very low	24.6	Very low	124 Å²	124	145.8 Å²	145.8	66%	0.663	75%	0.754	S	S	*	*			trans	52.8	117.3	140.7	-55.8	-16.9	0	0	0	121
447	N	27.4	Very low	24.5	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	73%	0.734	S	S	*	*				171.3	99.7	112.4	-81.8	-19.3	0	0	0	111.7
448	D	25.3	Very low	24.5	Very low	148 Å²	148	146 Å²	146	79%	0.791	74%	0.736	S	S	*	*			trans	-65.9	157.9	147.8	-93.7	-33.3	0	0	0	109.1
449	P	25.4	Very low	24.5	Very low	115 Å²	115	144.7 Å²	144.7	75%	0.747	73%	0.733	S	S	*	*				-153.2	158	57	38.1	-15.2	0	0	0	118.9
450	I	23.1	Very low	24.4	Very low	138 Å²	138	141.2 Å²	141.2	71%	0.708	72%	0.716	S	S	*	*			trans	-0.2	133.6	134.1	-62.8	167	0	0	0	116
451	K	23.2	Very low	24.6	Very low	197 Å²	197	140.8 Å²	140.8	86%	0.857	72%	0.717	S	S	*	*			trans	81.5	90.5	163.7	-77.8	168	176.9	178.3	0	117.8
452	S	23.5	Very low	24.7	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	72%	0.721	S	S	*	*			trans	-149.9	144.7	132.3	71	0	0	0	0	109.5
453	F	23.8	Very low	24.7	Very low	192 Å²	192	139.4 Å²	139.4	84%	0.842	72%	0.717	S	S	*	*			trans	82.4	57	-174	-77.2	-90.2	0	0	0	118.4
454	V	23.2	Very low	24.9	Very low	137 Å²	137	137.1 Å²	137.1	83%	0.83	72%	0.719	S	S	*	*			trans	-84.5	138.5	137.2	172.6	0	0	0	0	107.7
455	S	23.9	Very low	24.9	Very low	105 Å²	105	138.2 Å²	138.2	73%	0.734	72%	0.724	S	S	*	*	S	Bend	trans	102.8	72.7	158.4	-140.6	0	0	0	0	118.3
456	T	23.3	Very low	24.9	Very low	114 Å²	114	140.3 Å²	140.3	70%	0.699	73%	0.732	S	S	*	*	S	Bend	trans	159.9	85.4	146.6	43.5	0	0	0	0	105
457	D	24.9	Very low	25	Very low	91 Å²	91	137.8 Å²	137.8	49%	0.487	73%	0.725	S	S	.	*				-173.6	55.8	106.5	-90.9	-18	0	0	0	112.4	E459 L460	D457-E459 PolarHBondContact O-N 2.8Å; D457-E459 VanDerWaalsContact O-N 3.1Å; D457-L460 HydrophobicContact CB-CB 3.85Å; D457-L460 HydrophobicContact CB-CD1 4.36Å; D457-L460 PolarHBondContact O-N 2.8Å; D457-L460 WeakPolarHBondContact OD2-CD1 3.32Å
458	K	26.6	Very low	24.9	Very low	206 Å²	206	134.7 Å²	134.7	90%	0.896	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	1.3	162.8	-95.9	-178.2	175.5	178.6	0	113.5
459	E	26	Very low	24.9	Very low	159 Å²	159	133.8 Å²	133.8	74%	0.743	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	-14.5	176.1	-76.1	-90	125.2	0	0	113.8	D457	D457-E459 PolarHBondContact O-N 2.8Å; D457-E459 VanDerWaalsContact O-N 3.1Å
460	L	25.6	Very low	24.9	Very low	101 Å²	101	132.8 Å²	132.8	53%	0.529	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.9	-2.8	-177.8	-105.8	153.8	0	0	0	114.1	D457 S463	D457-L460 HydrophobicContact CB-CB 3.85Å; D457-L460 HydrophobicContact CB-CD1 4.36Å; D457-L460 PolarHBondContact O-N 2.8Å; D457-L460 WeakPolarHBondContact OD2-CD1 3.32Å; L460-S463 PolarHBondContact O-OG 3.27Å
461	I	25.9	Very low	24.9	Very low	135 Å²	135	132.6 Å²	132.6	69%	0.692	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-4.1	176.3	-62.8	173.9	0	0	0	112	I465	I461-I465 WeakPolarHBondContact O-CD1 3.24Å
462	K	26.7	Very low	25	Very low	167 Å²	167	126 Å²	126	73%	0.726	68%	0.676	S	S	*	*	S	Bend	trans	-94.3	-5.8	175.7	-80.6	179	178.8	172.2	0	115
463	S	25.3	Very low	25.2	Very low	69 Å²	69	125.6 Å²	125.6	48%	0.483	66%	0.661	S	S	.	*	S	Bend	trans	-99.4	-19.9	-178.1	50.2	0	0	0	0	115.9	L460	L460-S463 PolarHBondContact O-OG 3.27Å
464	D	25.6	Very low	25.1	Very low	139 Å²	139	122 Å²	122	74%	0.743	65%	0.648	S	S	*	*	S	Bend	trans	-98.3	6.7	-178.6	-77	-17.5	0	0	0	114.9	K466	D464-K466 PolarHBondContact O-N 3.28Å
465	I	24.9	Very low	25.1	Very low	138 Å²	138	122.2 Å²	122.2	71%	0.708	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	6.7	172.4	-62	173	0	0	0	111.9	I461	I461-I465 WeakPolarHBondContact O-CD1 3.24Å
466	K	25.5	Very low	25.2	Very low	201 Å²	201	121.8 Å²	121.8	87%	0.874	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	11.9	-176.7	-99.6	-179.8	-179.2	174.8	0	116.9	D464	D464-K466 PolarHBondContact O-N 3.28Å
467	S	25.5	Very low	25.3	Very low	72 Å²	72	119.6 Å²	119.6	50%	0.503	61%	0.611	S	S	.	*			trans	-110.4	84.7	168.2	80	0	0	0	0	112.3	N469	S467-N469 PolarHBondContact O-N 3.2Å
468	S	26.8	Very low	25.4	Very low	95 Å²	95	121 Å²	121	66%	0.664	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	20.8	170.1	-170.3	0	0	0	0	114.2	T472	S468-T472 VanDerWaalsContact O-CB 3.29Å; S468-T472 WeakPolarHBondContact O-CB 3.25Å; S468-T472 PolarHBondContact O-OG1 3.43Å
469	N	25.1	Very low	25.4	Very low	128 Å²	128	118 Å²	118	68%	0.684	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-33.2	-174.5	-73.4	-23.3	0	0	0	112.8	S467 F473	S467-N469 PolarHBondContact O-N 3.2Å; N469-F473 WeakPolarHBondContact O-CB 3.47Å; N469-F473 PolarHBondContact O-N 3.12Å
470	T	24.3	Very low	25.5	Very low	94 Å²	94	114.4 Å²	114.4	58%	0.577	59%	0.588	S	S	*	*	H	α-helix	trans	-79.7	-42.1	-173.9	24.3	0	0	0	0	114	F473 M474	T470-F473 WeakPolarHBondContact O-CB 3.39Å; T470-F473 PolarHBondContact O-N 3.24Å; T470-M474 PolarHBondContact O-N 3.43Å; T470-M474 VanDerWaalsContact O-N 3.11Å
471	M	22.3	Very low	25.7	Very low	135 Å²	135	113.4 Å²	113.4	67%	0.665	58%	0.584	S	S	*	*	H	α-helix	trans	-71.8	-32.8	172.2	-87.6	-69	-82.3	0	0	112.4	F473 M474 K475	M471-F473 VanDerWaalsContact C-N 3.32Å; M471-M474 PolarHBondContact O-N 3.31Å; M471-M474 HydrophobicContact SD-CE 4.45Å; M471-K475 WeakPolarHBondContact O-CB 3.36Å; M471-K475 PolarHBondContact O-N 3.29Å
472	T	27.3	Very low	25.8	Very low	57 Å²	57	112.8 Å²	112.8	35%	0.35	58%	0.578	S	S	.	*	H	α-helix	trans	-69.8	-31.5	172.7	-39.4	0	0	0	0	110.9	S468 N476	S468-T472 VanDerWaalsContact O-CB 3.29Å; S468-T472 WeakPolarHBondContact O-CB 3.25Å; S468-T472 PolarHBondContact O-OG1 3.43Å; T472-N476 WeakPolarHBondContact O-CB 3.31Å; T472-N476 PolarHBondContact O-N 3.37Å; T472-N476 PolarHBondContact O-ND2 3.42Å; T472-N476 VanDerWaalsContact O-ND2 3.13Å; T472-N476 PolarHBondContact O-OD1 3.04Å
473	F	25.9	Very low	26	Very low	102 Å²	102	109.8 Å²	109.8	45%	0.447	57%	0.565	S	S	.	*	H	α-helix	trans	-70.1	-36.3	173.5	-166.5	-95.6	0	0	0	112.4	N469 T470 M471 N477	N469-F473 WeakPolarHBondContact O-CB 3.47Å; N469-F473 PolarHBondContact O-N 3.12Å; T470-F473 WeakPolarHBondContact O-CB 3.39Å; T470-F473 PolarHBondContact O-N 3.24Å; M471-F473 VanDerWaalsContact C-N 3.32Å; F473-N477 WeakPolarHBondContact CD1-ND2 3.47Å; F473-N477 VanDerWaalsContact CE1-ND2 3.34Å; F473-N477 WeakPolarHBondContact CE1-ND2 3.45Å; F473-N477 WeakPolarHBondContact O-CB 3.42Å; F473-N477 PolarHBondContact O-N 3.07Å; F473-N477 PolarHBondContact O-ND2 3.34Å
474	M	22	Very low	26.4	Very low	118 Å²	118	112.2 Å²	112.2	58%	0.581	57%	0.569	S	S	*	*	H	α-helix	trans	-75.4	-40.9	174.1	-68.9	-151.9	-86.4	0	0	112.4	T470 M471 L478	T470-M474 PolarHBondContact O-N 3.43Å; T470-M474 VanDerWaalsContact O-N 3.11Å; M471-M474 PolarHBondContact O-N 3.31Å; M471-M474 HydrophobicContact SD-CE 4.45Å; M474-L478 WeakPolarHBondContact O-CD1 3.34Å; M474-L478 PolarHBondContact O-N 2.94Å
475	K	23.8	Very low	26.9	Very low	140 Å²	140	109.5 Å²	109.5	61%	0.609	55%	0.548	S	S	*	.	H	α-helix	trans	-62.4	-44.1	173.1	-108.1	177.3	174.5	176.9	0	112.2	M471 N477 Y479	M471-K475 WeakPolarHBondContact O-CB 3.36Å; M471-K475 PolarHBondContact O-N 3.29Å; K475-N477 PolarHBondContact O-N 3.42Å; K475-Y479 WeakPolarHBondContact O-CD2 3.48Å; K475-Y479 PolarHBondContact O-N 3.27Å
476	N	26.8	Very low	27.3	Very low	96 Å²	96	106.1 Å²	106.1	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-71.5	-31.7	-177.4	-68.3	-15.3	0	0	0	113.4	T472 D480	T472-N476 WeakPolarHBondContact O-CB 3.31Å; T472-N476 PolarHBondContact O-N 3.37Å; T472-N476 PolarHBondContact O-ND2 3.42Å; T472-N476 VanDerWaalsContact O-ND2 3.13Å; T472-N476 PolarHBondContact O-OD1 3.04Å; N476-D480 PolarHBondContact O-N 3.3Å
477	N	25	Very low	27.8	Very low	68 Å²	68	99.8 Å²	99.8	36%	0.364	50%	0.503	S	S	.	.	H	α-helix	trans	-80.1	-22.6	178.7	-78.3	-51.2	0	0	0	113.8	F473 K475 N481	F473-N477 WeakPolarHBondContact CD1-ND2 3.47Å; F473-N477 VanDerWaalsContact CE1-ND2 3.34Å; F473-N477 WeakPolarHBondContact CE1-ND2 3.45Å; F473-N477 WeakPolarHBondContact O-CB 3.42Å; F473-N477 PolarHBondContact O-N 3.07Å; F473-N477 PolarHBondContact O-ND2 3.34Å; K475-N477 PolarHBondContact O-N 3.42Å; N477-N481 PolarHBondContact O-ND2 2.92Å
478	L	26.6	Very low	28.3	Very low	122 Å²	122	98.3 Å²	98.3	64%	0.639	50%	0.498	S	S	*	.	H	α-helix	trans	-75.7	-41.9	171.7	-83.7	156.4	0	0	0	111.2	M474 D480 N481	M474-L478 WeakPolarHBondContact O-CD1 3.34Å; M474-L478 PolarHBondContact O-N 2.94Å; L478-D480 PolarHBondContact O-N 2.88Å; L478-N481 PolarHBondContact O-N 3.36Å
479	Y	27.2	Very low	28.7	Very low	141 Å²	141	95.4 Å²	95.4	55%	0.553	48%	0.475	S	S	*	.	H	α-helix	trans	-65.7	-33.4	176.9	-88.2	-102.8	0	0	0	113.3	K475 N481 E482 F483	K475-Y479 WeakPolarHBondContact O-CD2 3.48Å; K475-Y479 PolarHBondContact O-N 3.27Å; Y479-N481 VanDerWaalsContact C-N 3.34Å; Y479-N481 PolarHBondContact O-N 3.05Å; Y479-E482 PolarHBondContact O-N 3.22Å; Y479-F483 VanDerWaalsContact O-CB 3.3Å; Y479-F483 WeakPolarHBondContact O-CB 3.27Å; Y479-F483 PolarHBondContact O-N 3.12Å
480	D	28.5	Very low	29.2	Very low	84 Å²	84	92.1 Å²	92.1	45%	0.449	46%	0.46	S	S	.	.	H	α-helix	trans	-67.4	-28	-178.6	-88.5	-15.1	0	0	0	114	N476 L478 Q484	N476-D480 PolarHBondContact O-N 3.3Å; L478-D480 PolarHBondContact O-N 2.88Å; D480-Q484 WeakPolarHBondContact O-CG 3.38Å; D480-Q484 PolarHBondContact O-N 2.78Å
481	N	28.4	Very low	29.7	Very low	81 Å²	81	88.4 Å²	88.4	43%	0.433	44%	0.436	S	S	.	.	H	α-helix	trans	-79.3	-40	176.8	-72	-61.3	0	0	0	111.7	K304 N477 L478 Y479 F483 Y485	K304-N481 PolarHBondContact NZ-OD1 2.8Å; N477-N481 PolarHBondContact O-ND2 2.92Å; L478-N481 PolarHBondContact O-N 3.36Å; Y479-N481 VanDerWaalsContact C-N 3.34Å; Y479-N481 PolarHBondContact O-N 3.05Å; N481-F483 VanDerWaalsContact C-N 3.32Å; N481-Y485 VanDerWaalsContact O-CB 3.29Å; N481-Y485 WeakPolarHBondContact O-CB 3.47Å; N481-Y485 PolarHBondContact O-N 2.97Å; N481-Y485 VanDerWaalsContact O-N 3.12Å
482	E	29.6	Very low	30.7	Very low	122 Å²	122	83.8 Å²	83.8	57%	0.57	41%	0.414	S	S	*	.	H	α-helix	trans	-65	-36.9	171.7	-74.3	-179.2	161.2	0	0	111.4	Y479 Y485 L486	Y479-E482 PolarHBondContact O-N 3.22Å; E482-Y485 PolarHBondContact O-N 3.28Å; E482-L486 VanDerWaalsContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CG 3.08Å; E482-L486 PolarHBondContact O-N 2.8Å
483	F	30.2	Very low	30.9	Very low	103 Å²	103	83.2 Å²	83.2	45%	0.452	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-39.3	179	-145.7	-89.5	0	0	0	112.6	Y479 N481 Y485 Y487 Y546	Y479-F483 VanDerWaalsContact O-CB 3.3Å; Y479-F483 WeakPolarHBondContact O-CB 3.27Å; Y479-F483 PolarHBondContact O-N 3.12Å; N481-F483 VanDerWaalsContact C-N 3.32Å; F483-Y485 VanDerWaalsContact C-N 3.31Å; F483-Y487 WeakPolarHBondContact O-CB 3.32Å; F483-Y487 PolarHBondContact O-N 3.17Å; F483-Y546 HydrophobicContact CZ-CE1 4.37Å
484	Q	33.1	Very low	31.2	Very low	120 Å²	120	82.3 Å²	82.3	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-67.7	-33.2	173.4	-78.5	-178.7	0.5	0	0	112.5	D480 G488	D480-Q484 WeakPolarHBondContact O-CG 3.38Å; D480-Q484 PolarHBondContact O-N 2.78Å; Q484-G488 PolarHBondContact O-N 3.23Å
485	Y	35.5	Very low	31.8	Very low	82 Å²	82	78.7 Å²	78.7	32%	0.322	40%	0.399	S	S	.	.	H	α-helix	trans	-71.2	-48	176.7	-177.6	-107.9	0	0	0	112	I341 T345 N481 E482 F483 Y487 G488 I489	I341-Y485 HydrophobicContact CG2-CD2 4.41Å; I341-Y485 HydrophobicContact CG2-CE2 3.41Å; I341-Y485 VanDerWaalsContact CG2-CE2 3.41Å; I341-Y485 WeakPolarHBondContact CG2-OH 3.32Å; I341-Y485 PolarHBondContact O-OH 2.58Å; T345-Y485 WeakPolarHBondContact CB-OH 3.47Å; T345-Y485 HydrophobicContact CG2-CD1 4.23Å; T345-Y485 HydrophobicContact CG2-CE1 3.28Å; T345-Y485 VanDerWaalsContact OG1-CZ 3.25Å; T345-Y485 PolarHBondContact OG1-OH 3.39Å; N481-Y485 VanDerWaalsContact O-CB 3.29Å; N481-Y485 WeakPolarHBondContact O-CB 3.47Å; N481-Y485 PolarHBondContact O-N 2.97Å; N481-Y485 VanDerWaalsContact O-N 3.12Å; E482-Y485 PolarHBondContact O-N 3.28Å; F483-Y485 VanDerWaalsContact C-N 3.31Å; Y485-Y487 VanDerWaalsContact C-N 3.31Å; Y485-Y487 PolarHBondContact O-N 3.02Å; Y485-G488 PolarHBondContact O-N 2.96Å; Y485-G488 VanDerWaalsContact O-N 3.12Å; Y485-I489 HydrophobicContact CD1-CD1 3.81Å; Y485-I489 HydrophobicContact CE1-CD1 3.65Å; Y485-I489 HydrophobicContact CG-CD1 4.37Å; Y485-I489 WeakPolarHBondContact O-CG1 3.42Å; Y485-I489 PolarHBondContact O-N 3.25Å
486	L	33.8	Very low	32.4	Very low	68 Å²	68	74.9 Å²	74.9	36%	0.356	39%	0.388	S	S	.	.	H	α-helix	trans	-60	-39.6	170.8	-82.1	165.9	0	0	0	112.1	M349 E482 G488 I489 V490	M349-L486 HydrophobicContact CE-CD2 3.51Å; M349-L486 HydrophobicContact CE-CG 4.23Å; E482-L486 VanDerWaalsContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CG 3.08Å; E482-L486 PolarHBondContact O-N 2.8Å; L486-G488 VanDerWaalsContact C-N 3.32Å; L486-G488 PolarHBondContact O-N 2.97Å; L486-I489 PolarHBondContact O-N 2.83Å; L486-V490 VanDerWaalsContact O-CG2 3.32Å; L486-V490 WeakPolarHBondContact O-CG2 3.44Å; L486-V490 PolarHBondContact O-N 3.05Å
487	Y	36.6	Very low	32.5	Very low	68 Å²	68	72.8 Å²	72.8	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-36.9	173.9	-175.5	-104.7	0	0	0	112.4	F483 Y485 N491 I549 N553	F483-Y487 WeakPolarHBondContact O-CB 3.32Å; F483-Y487 PolarHBondContact O-N 3.17Å; Y485-Y487 VanDerWaalsContact C-N 3.31Å; Y485-Y487 PolarHBondContact O-N 3.02Å; Y487-N491 WeakPolarHBondContact CE1-ND2 3.13Å; Y487-N491 VanDerWaalsContact CE2-ND2 3.3Å; Y487-N491 WeakPolarHBondContact CE2-ND2 3.36Å; Y487-N491 WeakPolarHBondContact O-CB 3.41Å; Y487-N491 PolarHBondContact O-N 3.01Å; Y487-N491 PolarHBondContact O-ND2 3.49Å; Y487-N491 PolarHBondContact OH-ND2 3.49Å; Y487-I549 HydrophobicContact CD2-CG2 4.45Å; Y487-I549 HydrophobicContact CE2-CG2 3.54Å; Y487-N553 WeakPolarHBondContact OH-CB 3.16Å; Y487-N553 PolarHBondContact OH-ND2 2.86Å
488	G	35.8	Very low	32.9	Very low	40 Å²	40	75.4 Å²	75.4	41%	0.412	39%	0.394	S	S	.	.	H	α-helix	trans	-65.5	-45.1	173.1	0	0	0	0	0	112.6	Q484 Y485 L486 L492	Q484-G488 PolarHBondContact O-N 3.23Å; Y485-G488 PolarHBondContact O-N 2.96Å; Y485-G488 VanDerWaalsContact O-N 3.12Å; L486-G488 VanDerWaalsContact C-N 3.32Å; L486-G488 PolarHBondContact O-N 2.97Å; G488-L492 WeakPolarHBondContact O-CB 3.33Å; G488-L492 PolarHBondContact O-N 3.37Å
489	I	35.3	Very low	33.4	Very low	35 Å²	35	73.5 Å²	73.5	18%	0.179	38%	0.382	C	S	.	.	H	α-helix	trans	-66.3	-46.5	-179	-65.8	165.3	0	0	0	111.3	T345 Y485 L486 N491 L492 A493	T345-I489 HydrophobicContact CG2-CD1 3.56Å; T345-I489 WeakPolarHBondContact OG1-CD1 3.24Å; Y485-I489 HydrophobicContact CD1-CD1 3.81Å; Y485-I489 HydrophobicContact CE1-CD1 3.65Å; Y485-I489 HydrophobicContact CG-CD1 4.37Å; Y485-I489 WeakPolarHBondContact O-CG1 3.42Å; Y485-I489 PolarHBondContact O-N 3.25Å; L486-I489 PolarHBondContact O-N 2.83Å; I489-N491 PolarHBondContact O-N 3.43Å; I489-L492 PolarHBondContact O-N 3.44Å; I489-A493 WeakPolarHBondContact O-CB 3.49Å; I489-A493 PolarHBondContact O-N 2.6Å
490	V	34.7	Very low	33.6	Very low	59 Å²	59	71.1 Å²	71.1	36%	0.358	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-41.9	-179.7	173.1	0	0	0	0	111.5	L486 L492 A493 M494	L486-V490 VanDerWaalsContact O-CG2 3.32Å; L486-V490 WeakPolarHBondContact O-CG2 3.44Å; L486-V490 PolarHBondContact O-N 3.05Å; V490-L492 VanDerWaalsContact C-N 3.32Å; V490-L492 PolarHBondContact O-N 3.45Å; V490-A493 PolarHBondContact O-N 3.38Å; V490-M494 HydrophobicContact CG1-SD 4.49Å; V490-M494 WeakPolarHBondContact O-CG 3.41Å; V490-M494 PolarHBondContact O-N 3.01Å
491	N	36.3	Very low	33.7	Very low	15 Å²	15	74.2 Å²	74.2	8%	0.08	40%	0.401	C	S	.	.	H	α-helix	trans	-68.2	-32.8	177.4	-74.6	-48.2	0	0	0	112.5	Y487 I489 C495 S550 L555	Y487-N491 WeakPolarHBondContact CE1-ND2 3.13Å; Y487-N491 VanDerWaalsContact CE2-ND2 3.3Å; Y487-N491 WeakPolarHBondContact CE2-ND2 3.36Å; Y487-N491 WeakPolarHBondContact O-CB 3.41Å; Y487-N491 PolarHBondContact O-N 3.01Å; Y487-N491 PolarHBondContact O-ND2 3.49Å; Y487-N491 PolarHBondContact OH-ND2 3.49Å; I489-N491 PolarHBondContact O-N 3.43Å; N491-C495 WeakPolarHBondContact O-CB 3.49Å; N491-C495 PolarHBondContact O-N 3.32Å; N491-C495 PolarHBondContact O-SG 3.1Å; N491-S550 PolarHBondContact OD1-OG 3.22Å; N491-L555 HydrophobicContact CB-CD1 3.9Å
492	L	41.8	Very low	33.7	Very low	38 Å²	38	75.2 Å²	75.2	20%	0.199	41%	0.411	C	S	.	.	H	α-helix	trans	-69.8	-44	174.8	-175.4	69.2	0	0	0	111.9	N338 E342 G488 I489 V490 M494 C495 T496	N338-L492 HydrophobicContact CB-CD2 3.17Å; N338-L492 HydrophobicContact CB-CG 4.5Å; N338-L492 WeakPolarHBondContact ND2-CD1 3.34Å; N338-L492 WeakPolarHBondContact ND2-CD2 3.43Å; E342-L492 WeakPolarHBondContact OE1-CD2 3.26Å; G488-L492 WeakPolarHBondContact O-CB 3.33Å; G488-L492 PolarHBondContact O-N 3.37Å; I489-L492 PolarHBondContact O-N 3.44Å; V490-L492 VanDerWaalsContact C-N 3.32Å; V490-L492 PolarHBondContact O-N 3.45Å; L492-M494 VanDerWaalsContact C-N 3.3Å; L492-M494 PolarHBondContact O-N 2.98Å; L492-C495 PolarHBondContact O-N 3.14Å; L492-T496 WeakPolarHBondContact O-CG2 3.45Å; L492-T496 PolarHBondContact O-N 2.97Å; L492-T496 PolarHBondContact O-OG1 3.25Å
493	A	33.4	Very low	33.6	Very low	46 Å²	46	78.2 Å²	78.2	38%	0.38	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-37.2	175.2	0	0	0	0	0	112.3	I489 V490 T496 A497	I489-A493 WeakPolarHBondContact O-CB 3.49Å; I489-A493 PolarHBondContact O-N 2.6Å; V490-A493 PolarHBondContact O-N 3.38Å; A493-T496 WeakPolarHBondContact CA-OG1 3.49Å; A493-T496 PolarHBondContact O-OG1 2.96Å; A493-A497 WeakPolarHBondContact O-CB 3.28Å; A493-A497 PolarHBondContact O-N 3.27Å
494	M	31.5	Very low	33.3	Very low	83 Å²	83	78.6 Å²	78.6	41%	0.409	44%	0.435	S	S	.	.	H	α-helix	trans	-71.1	-39.1	173.9	-70.5	-167.5	73.3	0	0	112.6	V490 L492 A497 Q498	V490-M494 HydrophobicContact CG1-SD 4.49Å; V490-M494 WeakPolarHBondContact O-CG 3.41Å; V490-M494 PolarHBondContact O-N 3.01Å; L492-M494 VanDerWaalsContact C-N 3.3Å; L492-M494 PolarHBondContact O-N 2.98Å; M494-A497 PolarHBondContact O-N 3.03Å; M494-Q498 PolarHBondContact O-N 3.45Å
495	C	34.3	Very low	33	Very low	41 Å²	41	78.6 Å²	78.6	28%	0.277	44%	0.442	S	S	.	.	H	α-helix	trans	-66.8	-36.6	175.6	-72.5	0	0	0	0	112.4	N491 L492 Q499	N491-C495 WeakPolarHBondContact O-CB 3.49Å; N491-C495 PolarHBondContact O-N 3.32Å; N491-C495 PolarHBondContact O-SG 3.1Å; L492-C495 PolarHBondContact O-N 3.14Å; C495-Q499 WeakPolarHBondContact O-CB 3.48Å; C495-Q499 VanDerWaalsContact O-CG 3.29Å; C495-Q499 WeakPolarHBondContact O-CG 3.47Å; C495-Q499 PolarHBondContact O-N 3.24Å; C495-Q499 VanDerWaalsContact O-N 3.1Å
496	T	35.8	Very low	32.4	Very low	61 Å²	61	81.3 Å²	81.3	37%	0.374	46%	0.463	S	S	.	.	H	α-helix	trans	-71.1	-37.8	175	54	0	0	0	0	111.3	L492 A493 Q499 S500	L492-T496 WeakPolarHBondContact O-CG2 3.45Å; L492-T496 PolarHBondContact O-N 2.97Å; L492-T496 PolarHBondContact O-OG1 3.25Å; A493-T496 WeakPolarHBondContact CA-OG1 3.49Å; A493-T496 PolarHBondContact O-OG1 2.96Å; T496-Q499 PolarHBondContact O-N 3.45Å; T496-S500 PolarHBondContact O-N 3.16Å; T496-S500 VanDerWaalsContact O-N 3.15Å; T496-S500 PolarHBondContact O-OG 3.01Å
497	A	29.9	Very low	32.3	Very low	51 Å²	51	86 Å²	86	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-64	-39.9	173	0	0	0	0	0	113.2	A493 M494 S500 L501	A493-A497 WeakPolarHBondContact O-CB 3.28Å; A493-A497 PolarHBondContact O-N 3.27Å; M494-A497 PolarHBondContact O-N 3.03Å; A497-S500 WeakPolarHBondContact O-CB 3.49Å; A497-S500 PolarHBondContact O-N 3.46Å; A497-L501 PolarHBondContact O-N 3.5Å
498	Q	33.8	Very low	31.9	Very low	124 Å²	124	90.6 Å²	90.6	58%	0.579	51%	0.506	S	S	*	.	H	α-helix	trans	-71	-30.5	176.1	-77	177.5	-54.7	0	0	113.3	M494 S500 L501 T502	M494-Q498 PolarHBondContact O-N 3.45Å; Q498-S500 VanDerWaalsContact C-N 3.31Å; Q498-L501 PolarHBondContact O-N 3.28Å; Q498-T502 PolarHBondContact O-OG1 3.15Å
499	Q	35.5	Very low	31.4	Very low	82 Å²	82	97.4 Å²	97.4	38%	0.383	52%	0.524	S	S	.	.	H	α-helix	trans	-73.4	-22.1	173.3	-74.2	175.8	11.6	0	0	113	C495 T496 L501	C495-Q499 WeakPolarHBondContact O-CB 3.48Å; C495-Q499 VanDerWaalsContact O-CG 3.29Å; C495-Q499 WeakPolarHBondContact O-CG 3.47Å; C495-Q499 PolarHBondContact O-N 3.24Å; C495-Q499 VanDerWaalsContact O-N 3.1Å; T496-Q499 PolarHBondContact O-N 3.45Å; Q499-L501 VanDerWaalsContact C-N 3.34Å
500	S	32.9	Very low	31.1	Very low	91 Å²	91	103.2 Å²	103.2	64%	0.636	55%	0.551	S	S	*	*	H	α-helix	trans	-74.1	-25.1	171.5	-52.7	0	0	0	0	113	T496 A497 Q498	T496-S500 PolarHBondContact O-N 3.16Å; T496-S500 VanDerWaalsContact O-N 3.15Å; T496-S500 PolarHBondContact O-OG 3.01Å; A497-S500 WeakPolarHBondContact O-CB 3.49Å; A497-S500 PolarHBondContact O-N 3.46Å; Q498-S500 VanDerWaalsContact C-N 3.31Å
501	L	29.5	Very low	30.9	Very low	149 Å²	149	107.6 Å²	107.6	78%	0.78	57%	0.567	S	S	*	*	S	Bend	trans	-94.7	1	-178.1	-72.5	162.5	0	0	0	113.9	A497 Q498 Q499	A497-L501 PolarHBondContact O-N 3.5Å; Q498-L501 PolarHBondContact O-N 3.28Å; Q499-L501 VanDerWaalsContact C-N 3.34Å
502	T	29.2	Very low	30.6	Very low	102 Å²	102	112.9 Å²	112.9	63%	0.626	59%	0.594	S	S	*	*			trans	-131.6	23.5	-172	51.3	0	0	0	0	114.5	Q498 P504	Q498-T502 PolarHBondContact O-OG1 3.15Å; T502-P504 VanDerWaalsContact O-CD 3.29Å; T502-P504 WeakPolarHBondContact O-CD 3.44Å
503	K	27.7	Very low	29.8	Very low	185 Å²	185	120 Å²	120	80%	0.804	63%	0.626	S	S	*	*			trans	-73.1	117.1	163.1	-71.5	-176.3	-178.9	176.7	0	109
504	P	23.4	Very low	29.4	Very low	111 Å²	111	120.8 Å²	120.8	72%	0.721	64%	0.64	S	S	*	*			trans	-84.9	172.8	170.5	34.8	-27.2	0	0	0	110.1	T502	T502-P504 VanDerWaalsContact O-CD 3.29Å; T502-P504 WeakPolarHBondContact O-CD 3.44Å
505	V	27.1	Very low	29.3	Very low	120 Å²	120	124.6 Å²	124.6	73%	0.727	66%	0.662	S	S	*	*			trans	105.4	97.1	165.2	-168.7	0	0	0	0	115.2
506	D	23.1	Very low	28.8	Very low	139 Å²	139	130.2 Å²	130.2	74%	0.743	69%	0.689	S	S	*	*				20.9	113.8	129.3	-55.1	-51	0	0	0	117.8
507	H	29.9	Very low	28.4	Very low	165 Å²	165	136.9 Å²	136.9	76%	0.764	72%	0.716	S	S	*	*				-169.1	117.2	128.9	-95.3	-54.5	0	0	0	110.8
508	Q	29.6	Very low	28.1	Very low	165 Å²	165	141.9 Å²	141.9	77%	0.771	73%	0.73	S	S	*	*			trans	59.4	107.1	138.8	-66.3	171.2	-18.4	0	0	118.3
509	K	25.5	Very low	27.6	Very low	184 Å²	184	144.2 Å²	144.2	80%	0.8	74%	0.739	S	S	*	*				78.2	136	82.7	-112.2	-177.3	179.4	-178.8	0	112.8
510	Q	29.2	Very low	27	Very low	156 Å²	156	146 Å²	146	73%	0.729	75%	0.751	S	S	*	*			trans	81.1	124.2	163.8	-65.4	165.3	-0.8	0	0	112.6
511	Q	30.4	Very low	26.5	Very low	152 Å²	152	147.7 Å²	147.7	71%	0.71	75%	0.752	S	S	*	*			cis	-172.1	145.4	26.7	-109.6	158.4	-12.7	0	0	108.3
512	I	28.8	Very low	26.5	Very low	125 Å²	125	150.4 Å²	150.4	64%	0.641	76%	0.758	S	S	*	*			trans	68.5	101.3	134.4	-57.1	167.5	0	0	0	115.4
513	E	24.5	Very low	26.2	Very low	187 Å²	187	155.2 Å²	155.2	87%	0.874	76%	0.764	S	S	*	*				62.7	131.7	92.2	-68.8	174.8	166.2	0	0	113.6
514	G	26.4	Very low	26.3	Very low	64 Å²	64	155.6 Å²	155.6	66%	0.66	77%	0.768	S	S	*	*			trans	129.9	93.7	161	0	0	0	0	0	115.2
515	D	28.5	Very low	26.5	Very low	163 Å²	163	154.6 Å²	154.6	87%	0.872	76%	0.764	S	S	*	*				74	116.8	129.3	-49.7	-25.1	0	0	0	121	E517	D515-E517 PolarHBondContact O-N 3.16Å
516	N	23.2	Very low	26.5	Very low	159 Å²	159	155.8 Å²	155.8	85%	0.85	77%	0.766	S	S	*	*			trans	-53.9	128.2	153.8	-64.9	-56.8	0	0	0	109.4
517	E	27.9	Very low	26.6	Very low	200 Å²	200	156.2 Å²	156.2	94%	0.935	77%	0.769	S	S	*	*			trans	-164.4	148	143.6	-111.4	170	-151.5	0	0	113.1	D515	D515-E517 PolarHBondContact O-N 3.16Å
518	H	23.9	Very low	26.4	Very low	157 Å²	157	157.4 Å²	157.4	73%	0.727	78%	0.775	S	S	*	*			trans	-67.7	166.3	-180	-157.9	60	0	0	0	111.6
519	F	24.3	Very low	26.6	Very low	173 Å²	173	154.2 Å²	154.2	76%	0.759	77%	0.768	S	S	*	*			trans	118.9	93.7	161.1	-78.3	-94.4	0	0	0	119.5
520	N	22.8	Very low	26.5	Very low	120 Å²	120	156.6 Å²	156.6	64%	0.642	77%	0.774	S	S	*	*				52.1	129.6	111.2	-78.3	-33.7	0	0	0	124.4
521	L	22.5	Very low	26.2	Very low	126 Å²	126	152.2 Å²	152.2	66%	0.66	77%	0.771	S	S	*	*			trans	65.5	131	141.7	-85.8	102.3	0	0	0	121.3	R523	L521-R523 HydrophobicContact CD2-CG 4.3Å
522	K	29.2	Very low	26	Very low	206 Å²	206	154 Å²	154	90%	0.896	78%	0.776	S	S	*	*				-147.2	120.5	124	-105.2	173.6	-171.1	-179.5	0	111.6
523	R	22.9	Very low	25.8	Very low	202 Å²	202	155 Å²	155	76%	0.762	78%	0.783	S	S	*	*			trans	-68.8	149.1	165.3	-72.8	172.5	172.1	176.9	-3.8	109.8	L521	L521-R523 HydrophobicContact CD2-CG 4.3Å
524	H	30.3	Very low	25.8	Very low	193 Å²	193	152.8 Å²	152.8	89%	0.894	78%	0.776	S	S	*	*			trans	-148.5	137	133.8	-90.8	-69	0	0	0	110.2
525	S	25.6	Very low	25.6	Very low	91 Å²	91	155.1 Å²	155.1	64%	0.636	78%	0.78	S	S	*	*			trans	-89.5	155.1	-167.2	-29.1	0	0	0	0	112.1
526	N	28.3	Very low	25.4	Very low	144 Å²	144	152.8 Å²	152.8	77%	0.77	78%	0.776	S	S	*	*				160.6	108.9	126.6	-75.2	-9.6	0	0	0	111
527	D	25.6	Very low	25.4	Very low	148 Å²	148	153.8 Å²	153.8	79%	0.791	78%	0.778	S	S	*	*			trans	41.6	108	135.4	-46.9	-31.8	0	0	0	120.3
528	E	26.1	Very low	25.3	Very low	190 Å²	190	150.8 Å²	150.8	89%	0.888	77%	0.767	S	S	*	*				179.7	148.9	97.1	-104.4	-156.5	150.2	0	0	112.5
529	P	32.3	Very low	25.6	Very low	98 Å²	98	146 Å²	146	64%	0.636	75%	0.751	S	S	*	*			trans	-99.8	142.1	-173.8	36.8	-28	0	0	0	112.1
530	Y	24.4	Very low	25.7	Very low	235 Å²	235	141.8 Å²	141.8	92%	0.922	75%	0.748	S	S	*	*			trans	178.7	112.2	140.2	-101.8	-73.6	0	0	0	111.7
531	G	23.6	Very low	26	Very low	64 Å²	64	141.6 Å²	141.6	66%	0.66	75%	0.747	S	S	*	*			trans	22.4	130.2	142.6	0	0	0	0	0	122.3
532	K	25.6	Very low	26.4	Very low	189 Å²	189	138 Å²	138	82%	0.822	73%	0.728	S	S	*	*				154.5	117.7	101	-82.1	168.6	-176	175.9	0	112
533	N	23.4	Very low	26.5	Very low	146 Å²	146	134.2 Å²	134.2	78%	0.781	72%	0.717	S	S	*	*			trans	64.2	93.4	140.2	-55.2	-28.7	0	0	0	119.8
534	L	24.6	Very low	26.8	Very low	141 Å²	141	129.7 Å²	129.7	74%	0.738	71%	0.705	S	S	*	*			trans	-114.7	110.6	149.9	-161.4	68.5	0	0	0	108.9	Y353 S536	Y353-L534 HydrophobicContact CE1-CD1 4.24Å; L534-S536 PolarHBondContact O-N 3.49Å
535	P	24	Very low	27	Very low	113 Å²	113	126.3 Å²	126.3	73%	0.734	68%	0.684	S	S	*	*			trans	-63.2	128.4	-174.2	-24	33.7	0	0	0	113.9	M537	P535-M537 PolarHBondContact O-N 3.19Å
536	S	23.5	Very low	27.2	Very low	114 Å²	114	127.3 Å²	127.3	80%	0.797	68%	0.675	S	S	*	*			trans	-70.7	88.9	174.3	45.9	0	0	0	0	112.9	L534	L534-S536 PolarHBondContact O-N 3.49Å
537	M	22.1	Very low	27.2	Very low	180 Å²	180	123.9 Å²	123.9	89%	0.887	66%	0.662	S	S	*	*			trans	-152.5	76.4	167.3	-75.5	-154.1	154	0	0	113.8	P535	P535-M537 PolarHBondContact O-N 3.19Å
538	I	26.9	Very low	27.3	Very low	137 Å²	137	122.8 Å²	122.8	70%	0.703	65%	0.651	S	S	*	*			trans	-133.8	107.3	150.1	-56.3	-179.9	0	0	0	106.5	D542	I538-D542 HydrophobicContact CG2-CB 3.86Å
539	S	29	Very low	27.5	Very low	57 Å²	57	117 Å²	117	40%	0.399	63%	0.625	S	S	.	*			trans	-73.6	151.4	177.4	76	0	0	0	0	109.5	N541 D542	S539-N541 PolarHBondContact O-N 3.41Å; S539-D542 PolarHBondContact N-OD2 3.14Å; S539-D542 VanDerWaalsContact N-OD2 3.14Å; S539-D542 WeakPolarHBondContact O-CB 3.45Å; S539-D542 PolarHBondContact O-N 2.9Å; S539-D542 PolarHBondContact OG-OD2 2.97Å
540	A	28	Very low	27.5	Very low	84 Å²	84	113.9 Å²	113.9	69%	0.694	61%	0.605	S	S	*	*	H	α-helix	trans	-53.1	-24.3	176	0	0	0	0	0	113.4	D542 E544	A540-D542 VanDerWaalsContact C-N 3.34Å; A540-D542 PolarHBondContact O-N 2.94Å; A540-E544 PolarHBondContact O-N 3.08Å
541	N	28.7	Very low	27.7	Very low	116 Å²	116	106.7 Å²	106.7	62%	0.62	59%	0.59	S	S	*	*	H	α-helix	trans	-67.9	-29.5	174.5	-70.2	-19.4	0	0	0	113.5	S539 R545	S539-N541 PolarHBondContact O-N 3.41Å; N541-R545 WeakPolarHBondContact O-CB 3.47Å; N541-R545 PolarHBondContact O-N 2.96Å
542	D	29.9	Very low	28.1	Very low	50 Å²	50	109.5 Å²	109.5	27%	0.267	59%	0.585	S	S	.	*	H	α-helix	trans	-75.1	-36.2	-179.8	-62.1	-54	0	0	0	110.6	I538 S539 A540 R545 Y546	I538-D542 HydrophobicContact CG2-CB 3.86Å; S539-D542 PolarHBondContact N-OD2 3.14Å; S539-D542 VanDerWaalsContact N-OD2 3.14Å; S539-D542 WeakPolarHBondContact O-CB 3.45Å; S539-D542 PolarHBondContact O-N 2.9Å; S539-D542 PolarHBondContact OG-OD2 2.97Å; A540-D542 VanDerWaalsContact C-N 3.34Å; A540-D542 PolarHBondContact O-N 2.94Å; D542-R545 VanDerWaalsContact O-CB 3.23Å; D542-R545 WeakPolarHBondContact O-CB 3.32Å; D542-R545 PolarHBondContact O-N 3.16Å; D542-Y546 WeakPolarHBondContact O-CD2 3.34Å; D542-Y546 PolarHBondContact O-N 3.32Å
543	L	32.5	Very low	28.4	Very low	127 Å²	127	105 Å²	105	67%	0.665	57%	0.571	S	S	*	*	H	α-helix	trans	-68.8	-38.8	175.3	-147.6	75.5	0	0	0	112.3	R545 Y546 S547	L543-R545 VanDerWaalsContact C-N 3.29Å; L543-R545 PolarHBondContact O-N 3.43Å; L543-Y546 PolarHBondContact O-N 3.28Å; L543-S547 PolarHBondContact O-N 3.23Å
544	E	28.5	Very low	28.8	Very low	107 Å²	107	104 Å²	104	50%	0.5	56%	0.559	S	S	.	*	H	α-helix	trans	-60.8	-38.8	170.6	-79.9	-164.7	-175.6	0	0	111.8	K156 A540 Y546 S547 F548	K156-E544 IonicContact NZ-OE2 3.52Å; K156-E544 PolarHBondContact NZ-OE2 2.73Å; K156-E544 VanDerWaalsContact NZ-OE2 3.12Å; A540-E544 PolarHBondContact O-N 3.08Å; E544-Y546 VanDerWaalsContact C-N 3.33Å; E544-Y546 PolarHBondContact O-N 2.98Å; E544-S547 PolarHBondContact O-N 2.85Å; E544-S547 PolarHBondContact O-OG 3.17Å; E544-F548 WeakPolarHBondContact O-CB 3.41Å; E544-F548 PolarHBondContact O-N 3.17Å; E544-F548 VanDerWaalsContact O-N 3.09Å
545	R	33.6	Very low	29	Very low	122 Å²	122	102 Å²	102	46%	0.46	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-37.3	179.9	-146	173.6	-172	175.7	1	112.2	N541 D542 L543 I549	N541-R545 WeakPolarHBondContact O-CB 3.47Å; N541-R545 PolarHBondContact O-N 2.96Å; D542-R545 VanDerWaalsContact O-CB 3.23Å; D542-R545 WeakPolarHBondContact O-CB 3.32Å; D542-R545 PolarHBondContact O-N 3.16Å; L543-R545 VanDerWaalsContact C-N 3.29Å; L543-R545 PolarHBondContact O-N 3.43Å; R545-I549 WeakPolarHBondContact O-CD1 3.33Å; R545-I549 VanDerWaalsContact O-CG1 3.22Å; R545-I549 WeakPolarHBondContact O-CG1 3.29Å; R545-I549 PolarHBondContact O-N 2.98Å
546	Y	30.5	Very low	29.3	Very low	111 Å²	111	103.7 Å²	103.7	44%	0.435	54%	0.542	S	S	.	.	H	α-helix	trans	-75.2	-37.7	177.2	-73	-69.2	0	0	0	112.6	F483 D542 L543 E544 F548 S550	F483-Y546 HydrophobicContact CZ-CE1 4.37Å; D542-Y546 WeakPolarHBondContact O-CD2 3.34Å; D542-Y546 PolarHBondContact O-N 3.32Å; L543-Y546 PolarHBondContact O-N 3.28Å; E544-Y546 VanDerWaalsContact C-N 3.33Å; E544-Y546 PolarHBondContact O-N 2.98Å; Y546-F548 PolarHBondContact O-N 3.24Å; Y546-S550 WeakPolarHBondContact O-CB 3.39Å; Y546-S550 PolarHBondContact O-N 2.9Å
547	S	28	Very low	29.9	Very low	73 Å²	73	104.6 Å²	104.6	51%	0.51	53%	0.533	S	S	.	.	H	α-helix	trans	-65.3	-37.9	175.7	79.9	0	0	0	0	113	L543 E544 S550 S551	L543-S547 PolarHBondContact O-N 3.23Å; E544-S547 PolarHBondContact O-N 2.85Å; E544-S547 PolarHBondContact O-OG 3.17Å; S547-S550 PolarHBondContact O-N 3.39Å; S547-S551 PolarHBondContact O-N 2.91Å
548	F	27.8	Very low	30.8	Very low	124 Å²	124	102.8 Å²	102.8	54%	0.544	53%	0.527	S	S	.	.	H	α-helix	trans	-75.1	-35.1	-175.5	-163.7	-96.4	0	0	0	112.6	E544 Y546 S551 H552	E544-F548 WeakPolarHBondContact O-CB 3.41Å; E544-F548 PolarHBondContact O-N 3.17Å; E544-F548 VanDerWaalsContact O-N 3.09Å; Y546-F548 PolarHBondContact O-N 3.24Å; F548-S551 PolarHBondContact O-OG 3.35Å; F548-H552 AromaticContact CE1-CD2 3.82Å; F548-H552 AromaticContact CZ-NE2 3.83Å
549	I	30	Very low	32.5	Very low	69 Å²	69	99.6 Å²	99.6	35%	0.354	51%	0.508	S	S	.	.	H	α-helix	trans	-74.7	-29.6	176.9	-59.9	168.3	0	0	0	110.8	Y487 R545 H552	Y487-I549 HydrophobicContact CD2-CG2 4.45Å; Y487-I549 HydrophobicContact CE2-CG2 3.54Å; R545-I549 WeakPolarHBondContact O-CD1 3.33Å; R545-I549 VanDerWaalsContact O-CG1 3.22Å; R545-I549 WeakPolarHBondContact O-CG1 3.29Å; R545-I549 PolarHBondContact O-N 2.98Å; I549-H552 PolarHBondContact O-N 3.4Å
550	S	32.3	Very low	34.5	Very low	32 Å²	32	102.3 Å²	102.3	22%	0.224	51%	0.511	C	S	.	.	H	α-helix	trans	-70.6	-35	174.4	-159.2	0	0	0	0	112.4	N491 Y546 S547 H552	N491-S550 PolarHBondContact OD1-OG 3.22Å; Y546-S550 WeakPolarHBondContact O-CB 3.39Å; Y546-S550 PolarHBondContact O-N 2.9Å; S547-S550 PolarHBondContact O-N 3.39Å; S550-H552 PolarHBondContact O-N 2.93Å
551	S	29.1	Very low	36.4	Very low	85 Å²	85	102.1 Å²	102.1	59%	0.594	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.1	176.6	73.4	0	0	0	0	115.4	S547 F548	S547-S551 PolarHBondContact O-N 2.91Å; F548-S551 PolarHBondContact O-OG 3.35Å
552	H	32.9	Very low	38.8	Very low	122 Å²	122	96.6 Å²	96.6	57%	0.565	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-2.6	-169.3	-88.8	-60.7	0	0	0	115.7	F548 I549 S550	F548-H552 AromaticContact CE1-CD2 3.82Å; F548-H552 AromaticContact CZ-NE2 3.83Å; I549-H552 PolarHBondContact O-N 3.4Å; S550-H552 PolarHBondContact O-N 2.93Å
553	N	31.5	Very low	41.3	Very low	96 Å²	96	100 Å²	100	51%	0.513	49%	0.49	S	S	.	.	S	Bend	trans	-111.4	105	173.8	-86.9	-23.2	0	0	0	111.4	Y487 L555	Y487-N553 WeakPolarHBondContact OH-CB 3.16Å; Y487-N553 PolarHBondContact OH-ND2 2.86Å; N553-L555 PolarHBondContact O-N 2.86Å
554	F	30.7	Very low	43.6	Very low	123 Å²	123	98.2 Å²	98.2	54%	0.539	48%	0.484	S	S	.	.			trans	-49.7	78.9	168.8	-84.4	-100.4	0	0	0	111.9	Y556 F559 P570	F554-Y556 PolarHBondContact O-N 2.57Å; F554-F559 HydrophobicContact CB-CZ 4.13Å; F554-F559 AromaticContact CD1-CE1 3.73Å; F554-F559 HydrophobicContact CD1-CE1 3.73Å; F554-F559 HydrophobicContact CD1-CE2 4.18Å; F554-F559 AromaticContact CD1-CZ 3.53Å; F554-F559 HydrophobicContact CD1-CZ 3.53Å; F554-F559 HydrophobicContact CE1-CE1 4.12Å; F554-F559 HydrophobicContact CE1-CZ 4.36Å; F554-F559 HydrophobicContact CG-CZ 4.19Å; F554-P570 HydrophobicContact CD1-CB 4.39Å; F554-P570 HydrophobicContact CE1-CB 3.45Å; F554-P570 VanDerWaalsContact CE1-CB 3.45Å; F554-P570 HydrophobicContact CE2-CB 4.11Å; F554-P570 HydrophobicContact CZ-CB 3.29Å
555	L	29.8	Very low	46.1	Very low	100 Å²	100	95.2 Å²	95.2	52%	0.524	47%	0.474	S	S	.	.			trans	-84.7	92.6	159.5	-70	174.4	0	0	0	107.3	N491 N553 E557	N491-L555 HydrophobicContact CB-CD1 3.9Å; N553-L555 PolarHBondContact O-N 2.86Å; L555-E557 PolarHBondContact O-N 3.37Å; L555-E557 VanDerWaalsContact O-N 3.11Å
556	Y	30.3	Very low	48.2	Very low	148 Å²	148	96 Å²	96	58%	0.58	48%	0.483	S	S	*	.	S	Bend	trans	41.3	57.9	145.3	-76.4	-88.1	0	0	0	118.5	F554	F554-Y556 PolarHBondContact O-N 2.57Å
557	E	35.5	Very low	50.2	Low	133 Å²	133	96.7 Å²	96.7	62%	0.621	49%	0.488	S	S	*	.	S	Bend	trans	-164.3	132.8	152.7	-103.2	143.3	-147.1	0	0	107.9	L555	L555-E557 PolarHBondContact O-N 3.37Å; L555-E557 VanDerWaalsContact O-N 3.11Å
558	N	41.5	Very low	52.1	Low	142 Å²	142	99 Å²	99	76%	0.759	49%	0.489	S	S	*	.			trans	79.6	57.2	-177	-52.8	-29.6	0	0	0	118.4
559	F	62	Low	54.2	Low	70 Å²	70	94.9 Å²	94.9	31%	0.307	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-93	145.5	156.7	-72.1	-85.8	0	0	0	111.1	F554 K568 P570	F554-F559 HydrophobicContact CB-CZ 4.13Å; F554-F559 AromaticContact CD1-CE1 3.73Å; F554-F559 HydrophobicContact CD1-CE1 3.73Å; F554-F559 HydrophobicContact CD1-CE2 4.18Å; F554-F559 AromaticContact CD1-CZ 3.53Å; F554-F559 HydrophobicContact CD1-CZ 3.53Å; F554-F559 HydrophobicContact CE1-CE1 4.12Å; F554-F559 HydrophobicContact CE1-CZ 4.36Å; F554-F559 HydrophobicContact CG-CZ 4.19Å; F559-K568 HydrophobicContact CB-CB 3.87Å; F559-K568 HydrophobicContact CB-CD 4.27Å; F559-K568 HydrophobicContact CB-CG 4.07Å; F559-K568 HydrophobicContact CD1-CB 3.99Å; F559-K568 HydrophobicContact CD2-CD 4.44Å; F559-K568 HydrophobicContact CG-CB 3.99Å; F559-K568 HydrophobicContact CG-CD 4.34Å; F559-K568 HydrophobicContact CG-CG 4.46Å; F559-P570 HydrophobicContact CE1-CB 4.44Å
560	Y	70.9	Confident	55.5	Low	114 Å²	114	94.1 Å²	94.1	45%	0.447	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	116.7	169	-66	-92.1	0	0	0	109	K568 F569 A572	Y560-K568 CarbonylContact O-C 3.59Å; Y560-F569 PolarHBondContact N-O 2.92Å; Y560-F569 PolarHBondContact O-N 3.25Å; Y560-A572 HydrophobicContact CD1-CB 3.88Å; Y560-A572 HydrophobicContact CD2-CB 4.41Å; Y560-A572 HydrophobicContact CE1-CB 3.57Å; Y560-A572 HydrophobicContact CE2-CB 4.15Å; Y560-A572 VanDerWaalsContact CE2-N 3.29Å; Y560-A572 HydrophobicContact CG-CB 4.28Å
561	T	68.2	Low	57.2	Low	80 Å²	80	100.9 Å²	100.9	49%	0.491	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.2	-178.8	45.5	0	0	0	0	111.4	K567 K568 L575	T561-K567 WeakPolarHBondContact CA-O 3.35Å; T561-K568 HydrophobicContact CG2-CG 3.78Å; T561-L575 WeakPolarHBondContact O-CD2 3.28Å
562	C	79.6	Confident	59.5	Low	0 Å²	0	98.5 Å²	98.5	0%	0	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-70	128.5	168.1	-174.4	0	0	0	0	110.6	V564 H566 K567 F569 L575 H578 H582	C562-V564 VanDerWaalsContact C-N 3.3Å; C562-V564 PolarHBondContact O-N 2.97Å; C562-H566 WeakPolarHBondContact O-CA 3.48Å; C562-H566 PolarHBondContact O-N 3.38Å; C562-H566 PolarHBondContact O-ND1 3.37Å; C562-K567 PolarHBondContact N-O 2.85Å; C562-F569 HydrophobicContact CB-CE2 4.34Å; C562-L575 VanDerWaalsContact CA-CD1 3.45Å; C562-L575 HydrophobicContact CB-CD1 3.64Å; C562-H578 VanDerWaalsContact SG-CD2 3.52Å; C562-H578 PolarHBondContact SG-NE2 3.44Å; C562-H582 PolarHBondContact SG-CD2 2.92Å; C562-H582 PolarHBondContact SG-NE2 3.17Å
563	N	81.6	Confident	61.8	Low	123 Å²	123	95.9 Å²	95.9	66%	0.658	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-23.2	176.9	58.4	-14.9	0	0	0	113.2	H566	N563-H566 PolarHBondContact O-CE1 3.37Å
564	V	80.9	Confident	64	Low	89 Å²	89	93 Å²	93	54%	0.539	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-45.5	-179.1	-178	0	0	0	0	112.9	C562 H582	C562-V564 VanDerWaalsContact C-N 3.3Å; C562-V564 PolarHBondContact O-N 2.97Å; V564-H582 HydrophobicContact CG1-CB 4.44Å; V564-H582 HydrophobicContact CG2-CB 4.27Å
565	C	82.2	Confident	66.4	Low	43 Å²	43	88 Å²	88	29%	0.291	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	6.2	-175.6	75.5	0	0	0	0	114.5	K567 H578 H582	C565-K567 PolarHBondContact O-N 3.44Å; C565-K567 VanDerWaalsContact SG-CG 3.57Å; C565-H578 PolarHBondContact SG-CE1 3.34Å; C565-H578 PolarHBondContact SG-NE2 3.04Å; C565-H582 PolarHBondContact SG-NE2 2.91Å; C565-H582 VanDerWaalsContact SG-NE2 3.45Å
566	H	77.2	Confident	69	Low	140 Å²	140	87.6 Å²	87.6	65%	0.648	44%	0.438	S	S	*	.			trans	59.7	13.1	174.6	-50.2	-54.3	0	0	0	116	C562 N563	C562-H566 WeakPolarHBondContact O-CA 3.48Å; C562-H566 PolarHBondContact O-N 3.38Å; C562-H566 PolarHBondContact O-ND1 3.37Å; N563-H566 PolarHBondContact O-CE1 3.37Å
567	K	73.1	Confident	71.6	Confident	124 Å²	124	85.6 Å²	85.6	54%	0.539	43%	0.429	S	S	.	.			trans	-64.2	135.7	172.2	-73	179.4	-175.1	176.8	0	110.8	T561 C562 C565 F569	T561-K567 WeakPolarHBondContact CA-O 3.35Å; C562-K567 PolarHBondContact N-O 2.85Å; C565-K567 PolarHBondContact O-N 3.44Å; C565-K567 VanDerWaalsContact SG-CG 3.57Å; K567-F569 HydrophobicContact CB-CE2 3.59Å; K567-F569 HydrophobicContact CB-CZ 3.85Å; K567-F569 WeakPolarHBondContact O-CD2 3.45Å; K567-F569 WeakPolarHBondContact O-CE2 3.19Å
568	K	67.7	Low	73.9	Confident	123 Å²	123	80.2 Å²	80.2	54%	0.535	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.8	178.7	-71.3	178.5	-176.4	180	0	110.9	F559 Y560 T561	F559-K568 HydrophobicContact CB-CB 3.87Å; F559-K568 HydrophobicContact CB-CD 4.27Å; F559-K568 HydrophobicContact CB-CG 4.07Å; F559-K568 HydrophobicContact CD1-CB 3.99Å; F559-K568 HydrophobicContact CD2-CD 4.44Å; F559-K568 HydrophobicContact CG-CB 3.99Å; F559-K568 HydrophobicContact CG-CD 4.34Å; F559-K568 HydrophobicContact CG-CG 4.46Å; Y560-K568 CarbonylContact O-C 3.59Å; T561-K568 HydrophobicContact CG2-CG 3.78Å
569	F	72.3	Confident	75.9	Confident	37 Å²	37	75.7 Å²	75.7	16%	0.162	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.4	178.9	-63.6	-87.5	0	0	0	110.6	Y560 C562 K567 R571 N574 L575 H578	Y560-F569 PolarHBondContact N-O 2.92Å; Y560-F569 PolarHBondContact O-N 3.25Å; C562-F569 HydrophobicContact CB-CE2 4.34Å; K567-F569 HydrophobicContact CB-CE2 3.59Å; K567-F569 HydrophobicContact CB-CZ 3.85Å; K567-F569 WeakPolarHBondContact O-CD2 3.45Å; K567-F569 WeakPolarHBondContact O-CE2 3.19Å; F569-R571 PolarHBondContact O-N 3.39Å; F569-N574 HydrophobicContact CB-CB 4.05Å; F569-N574 HydrophobicContact CD1-CB 3.92Å; F569-N574 HydrophobicContact CG-CB 4.33Å; F569-L575 HydrophobicContact CB-CB 4.06Å; F569-L575 HydrophobicContact CD2-CB 3.97Å; F569-L575 HydrophobicContact CD2-CD1 3.69Å; F569-L575 HydrophobicContact CD2-CG 4.45Å; F569-L575 HydrophobicContact CE2-CD1 3.98Å; F569-L575 HydrophobicContact CG-CB 4.16Å; F569-H578 HydrophobicContact CD1-CB 4.47Å; F569-H578 HydrophobicContact CE1-CB 3.66Å; F569-H578 AromaticContact CE1-CG 3.97Å; F569-H578 HydrophobicContact CE2-CB 3.75Å; F569-H578 AromaticContact CE2-CD2 3.23Å; F569-H578 WeakPolarHBondContact CE2-CD2 3.43Å; F569-H578 AromaticContact CE2-CG 3.49Å; F569-H578 VanDerWaalsContact CE2-CG 3.49Å; F569-H578 AromaticContact CE2-NE2 3.99Å; F569-H578 HydrophobicContact CZ-CB 3.26Å; F569-H578 AromaticContact CZ-CD2 3.36Å; F569-H578 WeakPolarHBondContact CZ-CD2 3.47Å; F569-H578 AromaticContact CZ-CG 3.09Å; F569-H578 AromaticContact CZ-ND1 3.71Å
570	P	56.4	Low	77.1	Confident	53 Å²	53	75.2 Å²	75.2	34%	0.344	38%	0.376	S	S	.	.	S	Bend	trans	-71.7	-8.1	-177.6	27.3	-35	0	0	0	114.1	F554 F559	F554-P570 HydrophobicContact CD1-CB 4.39Å; F554-P570 HydrophobicContact CE1-CB 3.45Å; F554-P570 VanDerWaalsContact CE1-CB 3.45Å; F554-P570 HydrophobicContact CE2-CB 4.11Å; F554-P570 HydrophobicContact CZ-CB 3.29Å; F559-P570 HydrophobicContact CE1-CB 4.44Å
571	R	68.6	Low	77.7	Confident	173 Å²	173	74.3 Å²	74.3	65%	0.653	38%	0.382	S	S	*	.	S	Bend	trans	-148	146	-179.2	-57.8	-176.8	-150.8	167.3	4.3	110.3	F569 A573 N574 L575	F569-R571 PolarHBondContact O-N 3.39Å; R571-A573 VanDerWaalsContact C-N 3.31Å; R571-A573 PolarHBondContact O-N 2.86Å; R571-N574 WeakPolarHBondContact O-CB 3.42Å; R571-N574 PolarHBondContact O-N 3.44Å; R571-L575 PolarHBondContact O-N 3.49Å
572	A	76.2	Confident	78.4	Confident	35 Å²	35	73.9 Å²	73.9	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-55.1	-43.8	176.2	0	0	0	0	0	112.5	Y560 N574 L575 N576	Y560-A572 HydrophobicContact CD1-CB 3.88Å; Y560-A572 HydrophobicContact CD2-CB 4.41Å; Y560-A572 HydrophobicContact CE1-CB 3.57Å; Y560-A572 HydrophobicContact CE2-CB 4.15Å; Y560-A572 VanDerWaalsContact CE2-N 3.29Å; Y560-A572 HydrophobicContact CG-CB 4.28Å; A572-N574 PolarHBondContact O-N 3.42Å; A572-L575 CarbonylContact O-C 3.51Å; A572-L575 WeakPolarHBondContact O-CA 3.22Å; A572-L575 WeakPolarHBondContact O-CB 3.37Å; A572-L575 PolarHBondContact O-N 2.55Å; A572-N576 PolarHBondContact O-N 3.38Å
573	A	80.8	Confident	78.6	Confident	68 Å²	68	77.5 Å²	77.5	56%	0.562	40%	0.397	S	S	*	.	H	α-helix	trans	-60	-32.3	178.5	0	0	0	0	0	113.3	R571 R577	R571-A573 VanDerWaalsContact C-N 3.31Å; R571-A573 PolarHBondContact O-N 2.86Å; A573-R577 VanDerWaalsContact O-CB 3.32Å; A573-R577 WeakPolarHBondContact O-CB 3.41Å; A573-R577 PolarHBondContact O-N 2.91Å
574	N	79.6	Confident	78.6	Confident	36 Å²	36	74.3 Å²	74.3	19%	0.193	39%	0.392	C	S	.	.	H	α-helix	trans	-74.5	-37.6	175.6	-71.6	-5.9	0	0	0	111.3	F569 R571 A572 R577 H578	F569-N574 HydrophobicContact CB-CB 4.05Å; F569-N574 HydrophobicContact CD1-CB 3.92Å; F569-N574 HydrophobicContact CG-CB 4.33Å; R571-N574 WeakPolarHBondContact O-CB 3.42Å; R571-N574 PolarHBondContact O-N 3.44Å; A572-N574 PolarHBondContact O-N 3.42Å; N574-R577 PolarHBondContact OD1-NH2 3.34Å; N574-H578 WeakPolarHBondContact O-CB 3.48Å; N574-H578 PolarHBondContact O-N 3.09Å
575	L	80.7	Confident	78.7	Confident	18 Å²	18	75.2 Å²	75.2	9%	0.094	39%	0.391	C	S	.	.	H	α-helix	trans	-63	-50	171.9	172.2	61.3	0	0	0	110.6	T561 C562 F569 R571 A572 R577 H578 I579	T561-L575 WeakPolarHBondContact O-CD2 3.28Å; C562-L575 VanDerWaalsContact CA-CD1 3.45Å; C562-L575 HydrophobicContact CB-CD1 3.64Å; F569-L575 HydrophobicContact CB-CB 4.06Å; F569-L575 HydrophobicContact CD2-CB 3.97Å; F569-L575 HydrophobicContact CD2-CD1 3.69Å; F569-L575 HydrophobicContact CD2-CG 4.45Å; F569-L575 HydrophobicContact CE2-CD1 3.98Å; F569-L575 HydrophobicContact CG-CB 4.16Å; R571-L575 PolarHBondContact O-N 3.49Å; A572-L575 CarbonylContact O-C 3.51Å; A572-L575 WeakPolarHBondContact O-CA 3.22Å; A572-L575 WeakPolarHBondContact O-CB 3.37Å; A572-L575 PolarHBondContact O-N 2.55Å; L575-R577 VanDerWaalsContact C-N 3.31Å; L575-R577 PolarHBondContact O-N 3.37Å; L575-H578 CarbonylContact O-C 3.51Å; L575-H578 WeakPolarHBondContact O-CA 3.34Å; L575-H578 VanDerWaalsContact O-CB 3.32Å; L575-H578 WeakPolarHBondContact O-CB 3.31Å; L575-H578 PolarHBondContact O-N 2.7Å; L575-I579 HydrophobicContact CD1-CD1 3.98Å; L575-I579 HydrophobicContact CD1-CG1 3.93Å; L575-I579 HydrophobicContact CD2-CD1 4.26Å; L575-I579 HydrophobicContact CG-CD1 3.79Å; L575-I579 HydrophobicContact CG-CG1 4.21Å; L575-I579 WeakPolarHBondContact O-CG1 3.2Å; L575-I579 PolarHBondContact O-N 3.09Å
576	N	83.5	Confident	78.9	Confident	91 Å²	91	77.8 Å²	77.8	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-42.7	179.8	-70.6	-11.4	0	0	0	111.8	A572 H578 I579 R580	A572-N576 PolarHBondContact O-N 3.38Å; N576-H578 PolarHBondContact O-N 2.96Å; N576-I579 PolarHBondContact O-N 3.3Å; N576-R580 PolarHBondContact O-N 3.3Å
577	R	85.4	Confident	79.4	Confident	106 Å²	106	74 Å²	74	40%	0.4	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-33.6	173	-176.3	172.8	66.5	-139.6	-9.2	112.6	A573 N574 L575 I599	A573-R577 VanDerWaalsContact O-CB 3.32Å; A573-R577 WeakPolarHBondContact O-CB 3.41Å; A573-R577 PolarHBondContact O-N 2.91Å; N574-R577 PolarHBondContact OD1-NH2 3.34Å; L575-R577 VanDerWaalsContact C-N 3.31Å; L575-R577 PolarHBondContact O-N 3.37Å; R577-I599 HydrophobicContact CG-CD1 4Å; R577-I599 HydrophobicContact CG-CG1 3.85Å
578	H	83.2	Confident	80.2	Confident	20 Å²	20	71.8 Å²	71.8	9%	0.093	38%	0.376	C	S	.	.	H	α-helix	trans	-75.3	-36.9	174.6	167.1	64.4	0	0	0	112.6	C562 C565 F569 N574 L575 N576 R580 T581 H582	C562-H578 VanDerWaalsContact SG-CD2 3.52Å; C562-H578 PolarHBondContact SG-NE2 3.44Å; C565-H578 PolarHBondContact SG-CE1 3.34Å; C565-H578 PolarHBondContact SG-NE2 3.04Å; F569-H578 HydrophobicContact CD1-CB 4.47Å; F569-H578 HydrophobicContact CE1-CB 3.66Å; F569-H578 AromaticContact CE1-CG 3.97Å; F569-H578 HydrophobicContact CE2-CB 3.75Å; F569-H578 AromaticContact CE2-CD2 3.23Å; F569-H578 WeakPolarHBondContact CE2-CD2 3.43Å; F569-H578 AromaticContact CE2-CG 3.49Å; F569-H578 VanDerWaalsContact CE2-CG 3.49Å; F569-H578 AromaticContact CE2-NE2 3.99Å; F569-H578 HydrophobicContact CZ-CB 3.26Å; F569-H578 AromaticContact CZ-CD2 3.36Å; F569-H578 WeakPolarHBondContact CZ-CD2 3.47Å; F569-H578 AromaticContact CZ-CG 3.09Å; F569-H578 AromaticContact CZ-ND1 3.71Å; N574-H578 WeakPolarHBondContact O-CB 3.48Å; N574-H578 PolarHBondContact O-N 3.09Å; L575-H578 CarbonylContact O-C 3.51Å; L575-H578 WeakPolarHBondContact O-CA 3.34Å; L575-H578 VanDerWaalsContact O-CB 3.32Å; L575-H578 WeakPolarHBondContact O-CB 3.31Å; L575-H578 PolarHBondContact O-N 2.7Å; N576-H578 PolarHBondContact O-N 2.96Å; H578-R580 PolarHBondContact O-N 3.2Å; H578-T581 PolarHBondContact ND1-OG1 3.5Å; H578-T581 WeakPolarHBondContact O-CB 3.32Å; H578-T581 PolarHBondContact O-N 2.96Å; H578-T581 PolarHBondContact O-OG1 3.29Å; H578-H582 AromaticContact CE1-NE2 3.38Å; H578-H582 PolarHBondContact CE1-NE2 3.26Å; H578-H582 AromaticContact NE2-CD2 3.77Å; H578-H582 AromaticContact NE2-NE2 3.05Å; H578-H582 PolarHBondContact NE2-NE2 3.49Å
579	I	84	Confident	81.1	Confident	47 Å²	47	71.5 Å²	71.5	24%	0.241	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-33.4	176.5	-69.5	168.6	0	0	0	110.8	L575 N576 T581 H582 T583	L575-I579 HydrophobicContact CD1-CD1 3.98Å; L575-I579 HydrophobicContact CD1-CG1 3.93Å; L575-I579 HydrophobicContact CD2-CD1 4.26Å; L575-I579 HydrophobicContact CG-CD1 3.79Å; L575-I579 HydrophobicContact CG-CG1 4.21Å; L575-I579 WeakPolarHBondContact O-CG1 3.2Å; L575-I579 PolarHBondContact O-N 3.09Å; N576-I579 PolarHBondContact O-N 3.3Å; I579-T581 PolarHBondContact O-N 2.89Å; I579-T581 VanDerWaalsContact O-N 3.09Å; I579-H582 WeakPolarHBondContact O-CA 3.45Å; I579-H582 WeakPolarHBondContact O-CB 3.4Å; I579-H582 PolarHBondContact O-N 3.35Å; I579-T583 HydrophobicContact CG2-CG2 4.04Å; I579-T583 PolarHBondContact O-N 3.39Å
580	R	87.4	Confident	81.9	Confident	60 Å²	60	69.9 Å²	69.9	23%	0.226	37%	0.369	C	S	.	.	H	α-helix	trans	-57.8	-21.5	171.9	-63.9	179.5	-173.5	168.5	-0.2	114.5	N576 H578 H582 T583 G584 E585 Y588 S598	N576-R580 PolarHBondContact O-N 3.3Å; H578-R580 PolarHBondContact O-N 3.2Å; R580-H582 VanDerWaalsContact C-N 3.29Å; R580-T583 WeakPolarHBondContact CA-OG1 3.15Å; R580-G584 WeakPolarHBondContact O-CA 3.34Å; R580-G584 PolarHBondContact O-N 2.88Å; R580-E585 HydrophobicContact CG-CB 4.23Å; R580-Y588 VanDerWaalsContact NH1-CE2 3.3Å; R580-S598 WeakPolarHBondContact CD-O 3.49Å; R580-S598 PolarHBondContact NH1-O 2.97Å
581	T	82.4	Confident	83.4	Confident	94 Å²	94	71.9 Å²	71.9	58%	0.577	38%	0.382	S	S	*	.	H	α-helix	trans	-76.4	-19.2	173.1	71.5	0	0	0	0	112.8	H578 I579	H578-T581 PolarHBondContact ND1-OG1 3.5Å; H578-T581 WeakPolarHBondContact O-CB 3.32Å; H578-T581 PolarHBondContact O-N 2.96Å; H578-T581 PolarHBondContact O-OG1 3.29Å; I579-T581 PolarHBondContact O-N 2.89Å; I579-T581 VanDerWaalsContact O-N 3.09Å
582	H	83.6	Confident	84.3	Confident	71 Å²	71	69.5 Å²	69.5	33%	0.329	38%	0.378	S	S	.	.	H	α-helix	trans	-91.3	-41.8	173.3	-60.7	-56.4	0	0	0	111.6	C562 V564 C565 H578 I579 R580	C562-H582 PolarHBondContact SG-CD2 2.92Å; C562-H582 PolarHBondContact SG-NE2 3.17Å; V564-H582 HydrophobicContact CG1-CB 4.44Å; V564-H582 HydrophobicContact CG2-CB 4.27Å; C565-H582 PolarHBondContact SG-NE2 2.91Å; C565-H582 VanDerWaalsContact SG-NE2 3.45Å; H578-H582 AromaticContact CE1-NE2 3.38Å; H578-H582 PolarHBondContact CE1-NE2 3.26Å; H578-H582 AromaticContact NE2-CD2 3.77Å; H578-H582 AromaticContact NE2-NE2 3.05Å; H578-H582 PolarHBondContact NE2-NE2 3.49Å; I579-H582 WeakPolarHBondContact O-CA 3.45Å; I579-H582 WeakPolarHBondContact O-CB 3.4Å; I579-H582 PolarHBondContact O-N 3.35Å; R580-H582 VanDerWaalsContact C-N 3.29Å
583	T	83.2	Confident	84.8	Confident	77 Å²	77	69.5 Å²	69.5	47%	0.472	38%	0.376	S	S	.	.	H	α-helix	trans	-81	-16.4	-178.6	61.3	0	0	0	0	113.5	I579 R580 E585	I579-T583 HydrophobicContact CG2-CG2 4.04Å; I579-T583 PolarHBondContact O-N 3.39Å; R580-T583 WeakPolarHBondContact CA-OG1 3.15Å; T583-E585 PolarHBondContact O-N 3.34Å; T583-E585 WeakPolarHBondContact OG1-CG 3.46Å; T583-E585 PolarHBondContact OG1-N 3.4Å
584	G	82.2	Confident	85.1	Confident	55 Å²	55	73.2 Å²	73.2	57%	0.567	39%	0.386	S	S	*	.			trans	72.6	4.4	-175.1	0	0	0	0	0	114	R580 Q586	R580-G584 WeakPolarHBondContact O-CA 3.34Å; R580-G584 PolarHBondContact O-N 2.88Å; G584-Q586 PolarHBondContact O-N 3.44Å
585	E	83.5	Confident	85.4	Confident	108 Å²	108	78.9 Å²	78.9	51%	0.505	41%	0.405	S	S	.	.			trans	-60.7	127.5	-178.7	-75.7	175.7	-168.1	0	0	112.2	R580 T583 P587	R580-E585 HydrophobicContact CG-CB 4.23Å; T583-E585 PolarHBondContact O-N 3.34Å; T583-E585 WeakPolarHBondContact OG1-CG 3.46Å; T583-E585 PolarHBondContact OG1-N 3.4Å; E585-P587 WeakPolarHBondContact O-CD 3.28Å
586	Q	86.2	Confident	85.8	Confident	97 Å²	97	82 Å²	82	45%	0.453	42%	0.421	S	S	.	.			trans	-123.7	76.3	175.2	-65.1	-171.8	-22.6	0	0	111	G584 Y588 L596 F597	G584-Q586 PolarHBondContact O-N 3.44Å; Q586-Y588 PolarHBondContact O-N 3.39Å; Q586-Y588 VanDerWaalsContact O-N 3.13Å; Q586-L596 HydrophobicContact CB-CB 3.58Å; Q586-L596 VanDerWaalsContact OE1-CB 3.31Å; Q586-L596 PolarHBondContact OE1-O 3.03Å; Q586-F597 CarbonylContact C-O 3.57Å; Q586-F597 VanDerWaalsContact C-O 3.25Å; Q586-F597 WeakPolarHBondContact CA-O 3.24Å
587	P	87.3	Confident	85.9	Confident	62 Å²	62	79.2 Å²	79.2	40%	0.403	41%	0.405	S	S	.	.			trans	-70.3	-10.2	-169.7	-20.6	34.3	0	0	0	115.6	E585	E585-P587 WeakPolarHBondContact O-CD 3.28Å
588	Y	89.3	Confident	85.9	Confident	77 Å²	77	75.8 Å²	75.8	30%	0.302	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	108.1	-172.4	-54.1	-75	0	0	0	110.9	R580 Q586 L596 F597	R580-Y588 VanDerWaalsContact NH1-CE2 3.3Å; Q586-Y588 PolarHBondContact O-N 3.39Å; Q586-Y588 VanDerWaalsContact O-N 3.13Å; Y588-L596 CarbonylContact O-C 3.21Å; Y588-L596 WeakPolarHBondContact O-CA 3.32Å; Y588-F597 WeakPolarHBondContact CD2-O 3.39Å; Y588-F597 PolarHBondContact N-O 3.28Å; Y588-F597 VanDerWaalsContact N-O 3.08Å; Y588-F597 PolarHBondContact O-N 3.39Å
589	Q	87.2	Confident	86.2	Confident	116 Å²	116	76.9 Å²	76.9	54%	0.542	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	139.4	176	-172.7	175.9	-1.4	0	0	111.3	L596	Q589-L596 HydrophobicContact CB-CD2 3.6Å; Q589-L596 HydrophobicContact CG-CD2 3.83Å
590	C	90.1	Very high	86.4	Confident	3 Å²	3	76.4 Å²	76.4	2%	0.02	40%	0.404	C	S	.	.			trans	-67	132.4	169.8	-178.6	0	0	0	0	110.4	H592 C593 R595 F597 H606 H611	C590-H592 PolarHBondContact O-N 3.32Å; C590-H592 VanDerWaalsContact O-N 3.16Å; C590-H592 PolarHBondContact SG-N 3.03Å; C590-H592 VanDerWaalsContact SG-N 3.42Å; C590-C593 WeakPolarHBondContact CB-O 3.43Å; C590-R595 PolarHBondContact N-O 3.49Å; C590-F597 HydrophobicContact CB-CE2 4.26Å; C590-H606 PolarHBondContact SG-CD2 3.43Å; C590-H606 PolarHBondContact SG-NE2 3.4Å; C590-H611 PolarHBondContact SG-CD2 3.28Å; C590-H611 PolarHBondContact SG-NE2 3.1Å; C590-H611 VanDerWaalsContact SG-NE2 3.38Å
591	P	87.2	Confident	86.4	Confident	95 Å²	95	76.9 Å²	76.9	62%	0.617	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.6	176.8	26.3	-34.4	0	0	0	114.2	V607	P591-V607 HydrophobicContact CG-CG2 4.15Å
592	H	86.6	Confident	86.7	Confident	123 Å²	123	74.9 Å²	74.9	57%	0.569	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-4.1	-176.1	-57.2	-63.7	0	0	0	113.8	C590 H611	C590-H592 PolarHBondContact O-N 3.32Å; C590-H592 VanDerWaalsContact O-N 3.16Å; C590-H592 PolarHBondContact SG-N 3.03Å; C590-H592 VanDerWaalsContact SG-N 3.42Å; H592-H611 HydrophobicContact CB-CB 4.28Å; H592-H611 WeakPolarHBondContact CB-CE1 3.24Å; H592-H611 VanDerWaalsContact CB-ND1 3.31Å; H592-H611 WeakPolarHBondContact CB-ND1 3.14Å; H592-H611 AromaticContact CD2-CG 3.77Å; H592-H611 AromaticContact CG-CG 3.91Å
593	C	88	Confident	87.1	Confident	35 Å²	35	73 Å²	73	24%	0.236	39%	0.394	C	S	.	.	S	Bend	trans	-158.4	167	172.4	69.8	0	0	0	0	111.6	C590 R595 H606	C590-C593 WeakPolarHBondContact CB-O 3.43Å; C593-R595 PolarHBondContact O-N 3.26Å; C593-H606 PolarHBondContact SG-NE2 3.41Å
594	D	87.3	Confident	87.4	Confident	146 Å²	146	74 Å²	74	78%	0.781	39%	0.393	S	S	*	.	S	Bend	trans	-75.8	13.2	-174.7	-53.3	-42.6	0	0	0	114.5	L596	D594-L596 PolarHBondContact O-N 3.33Å
595	R	85.6	Confident	87.6	Confident	156 Å²	156	78 Å²	78	59%	0.589	39%	0.391	S	S	*	.			trans	-74.8	123.6	179.3	-72.5	-169.7	-179.9	-158.9	1	111.3	C590 C593 F597	C590-R595 PolarHBondContact N-O 3.49Å; C593-R595 PolarHBondContact O-N 3.26Å; R595-F597 HydrophobicContact CB-CE2 3.67Å; R595-F597 HydrophobicContact CB-CZ 3.88Å; R595-F597 WeakPolarHBondContact O-CE2 3.35Å
596	L	88.4	Confident	87.9	Confident	82 Å²	82	73.6 Å²	73.6	43%	0.429	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.5	171.4	-58.6	176.9	0	0	0	111.1	Q586 Y588 Q589 D594	Q586-L596 HydrophobicContact CB-CB 3.58Å; Q586-L596 VanDerWaalsContact OE1-CB 3.31Å; Q586-L596 PolarHBondContact OE1-O 3.03Å; Y588-L596 CarbonylContact O-C 3.21Å; Y588-L596 WeakPolarHBondContact O-CA 3.32Å; Q589-L596 HydrophobicContact CB-CD2 3.6Å; Q589-L596 HydrophobicContact CG-CD2 3.83Å; D594-L596 PolarHBondContact O-N 3.33Å
597	F	86.6	Confident	88	Confident	34 Å²	34	70.6 Å²	70.6	15%	0.149	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.2	-179.6	-60.1	-92.8	0	0	0	110.6	Q586 Y588 C590 R595 I599 N602 M603 H606	Q586-F597 CarbonylContact C-O 3.57Å; Q586-F597 VanDerWaalsContact C-O 3.25Å; Q586-F597 WeakPolarHBondContact CA-O 3.24Å; Y588-F597 WeakPolarHBondContact CD2-O 3.39Å; Y588-F597 PolarHBondContact N-O 3.28Å; Y588-F597 VanDerWaalsContact N-O 3.08Å; Y588-F597 PolarHBondContact O-N 3.39Å; C590-F597 HydrophobicContact CB-CE2 4.26Å; R595-F597 HydrophobicContact CB-CE2 3.67Å; R595-F597 HydrophobicContact CB-CZ 3.88Å; R595-F597 WeakPolarHBondContact O-CE2 3.35Å; F597-I599 VanDerWaalsContact C-N 3.27Å; F597-I599 PolarHBondContact O-N 2.95Å; F597-N602 HydrophobicContact CD1-CB 3.91Å; F597-M603 HydrophobicContact CB-CB 4Å; F597-M603 HydrophobicContact CD2-CB 3.51Å; F597-M603 HydrophobicContact CD2-CG 3.82Å; F597-M603 HydrophobicContact CE2-CB 4.18Å; F597-M603 HydrophobicContact CE2-CG 4.24Å; F597-M603 HydrophobicContact CG-CB 3.82Å; F597-H606 HydrophobicContact CE1-CB 3.85Å; F597-H606 HydrophobicContact CE2-CB 4.07Å; F597-H606 AromaticContact CE2-CD2 3.68Å; F597-H606 AromaticContact CE2-CG 3.9Å; F597-H606 HydrophobicContact CZ-CB 3.36Å; F597-H606 AromaticContact CZ-CD2 3.58Å; F597-H606 AromaticContact CZ-CG 3.31Å; F597-H606 AromaticContact CZ-ND1 3.92Å
598	S	85.7	Confident	87.9	Confident	33 Å²	33	74.8 Å²	74.8	23%	0.231	37%	0.367	C	S	.	.	S	Bend	trans	-75	-14.5	174.6	56.5	0	0	0	0	113.9	R580	R580-S598 WeakPolarHBondContact CD-O 3.49Å; R580-S598 PolarHBondContact NH1-O 2.97Å
599	I	87.8	Confident	87.8	Confident	43 Å²	43	75 Å²	75	22%	0.221	37%	0.373	C	S	.	.	S	Bend	trans	-138.3	128	-175.4	-48.8	168.5	0	0	0	110.2	R577 F597 S601 N602 M603	R577-I599 HydrophobicContact CG-CD1 4Å; R577-I599 HydrophobicContact CG-CG1 3.85Å; F597-I599 VanDerWaalsContact C-N 3.27Å; F597-I599 PolarHBondContact O-N 2.95Å; I599-S601 VanDerWaalsContact C-N 3.3Å; I599-S601 VanDerWaalsContact CG2-OG 3.3Å; I599-S601 WeakPolarHBondContact CG2-OG 3.48Å; I599-S601 PolarHBondContact O-N 2.99Å; I599-N602 HydrophobicContact CB-CB 4.46Å; I599-N602 WeakPolarHBondContact O-CB 3.16Å; I599-N602 PolarHBondContact O-N 3.46Å; I599-M603 PolarHBondContact O-N 3.01Å
600	S	88.8	Confident	87.7	Confident	38 Å²	38	73.6 Å²	73.6	27%	0.266	37%	0.369	S	S	.	.	H	α-helix	trans	-55.6	-40.4	-179.9	174.3	0	0	0	0	113.1	N602 M603 Q604	S600-N602 PolarHBondContact O-N 2.96Å; S600-M603 WeakPolarHBondContact O-CB 3.24Å; S600-M603 PolarHBondContact O-N 3.25Å; S600-M603 VanDerWaalsContact O-N 3.16Å; S600-Q604 WeakPolarHBondContact O-CG 3.34Å; S600-Q604 PolarHBondContact O-N 3.01Å
601	S	88.4	Confident	87.4	Confident	70 Å²	70	76.3 Å²	76.3	49%	0.49	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-29.3	177.9	62.7	0	0	0	0	113.3	I599 R605	I599-S601 VanDerWaalsContact C-N 3.3Å; I599-S601 VanDerWaalsContact CG2-OG 3.3Å; I599-S601 WeakPolarHBondContact CG2-OG 3.48Å; I599-S601 PolarHBondContact O-N 2.99Å; S601-R605 VanDerWaalsContact O-CB 3.32Å; S601-R605 WeakPolarHBondContact O-CB 3.49Å; S601-R605 PolarHBondContact O-N 3.06Å
602	N	88.9	Confident	86.6	Confident	52 Å²	52	75.5 Å²	75.5	28%	0.278	38%	0.377	S	S	.	.	H	α-helix	trans	-74.5	-41.5	175.7	-72.8	-12	0	0	0	111.2	F597 I599 S600 R605 H606	F597-N602 HydrophobicContact CD1-CB 3.91Å; I599-N602 HydrophobicContact CB-CB 4.46Å; I599-N602 WeakPolarHBondContact O-CB 3.16Å; I599-N602 PolarHBondContact O-N 3.46Å; S600-N602 PolarHBondContact O-N 2.96Å; N602-R605 PolarHBondContact O-N 3.27Å; N602-H606 WeakPolarHBondContact O-CB 3.23Å; N602-H606 PolarHBondContact O-N 3.5Å
603	M	91.2	Very high	85	Confident	31 Å²	31	78.2 Å²	78.2	15%	0.153	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-48.9	172	-179.9	-144.1	71.2	0	0	111	F597 I599 S600 R605 H606 V607	F597-M603 HydrophobicContact CB-CB 4Å; F597-M603 HydrophobicContact CD2-CB 3.51Å; F597-M603 HydrophobicContact CD2-CG 3.82Å; F597-M603 HydrophobicContact CE2-CB 4.18Å; F597-M603 HydrophobicContact CE2-CG 4.24Å; F597-M603 HydrophobicContact CG-CB 3.82Å; I599-M603 PolarHBondContact O-N 3.01Å; S600-M603 WeakPolarHBondContact O-CB 3.24Å; S600-M603 PolarHBondContact O-N 3.25Å; S600-M603 VanDerWaalsContact O-N 3.16Å; M603-R605 VanDerWaalsContact C-N 3.33Å; M603-R605 PolarHBondContact O-N 2.94Å; M603-H606 CarbonylContact O-C 3.56Å; M603-H606 WeakPolarHBondContact O-CA 3.4Å; M603-H606 WeakPolarHBondContact O-CB 3.16Å; M603-H606 PolarHBondContact O-N 3.2Å; M603-V607 WeakPolarHBondContact O-CG2 3.48Å; M603-V607 PolarHBondContact O-N 3.39Å
604	Q	88.2	Confident	83	Confident	99 Å²	99	83.7 Å²	83.7	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-60.2	-40.6	176.7	-73	-176.9	-11	0	0	112.6	S600 H606 V607 R608	S600-Q604 WeakPolarHBondContact O-CG 3.34Å; S600-Q604 PolarHBondContact O-N 3.01Å; Q604-H606 VanDerWaalsContact C-N 3.32Å; Q604-V607 PolarHBondContact O-N 3.28Å; Q604-R608 WeakPolarHBondContact O-CB 3.16Å; Q604-R608 PolarHBondContact O-N 3.43Å
605	R	87.6	Confident	80.7	Confident	138 Å²	138	83.7 Å²	83.7	52%	0.521	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-38.8	174.3	-179.6	177.9	63	148.4	0.2	111.4	S601 N602 M603 R608 N609	S601-R605 VanDerWaalsContact O-CB 3.32Å; S601-R605 WeakPolarHBondContact O-CB 3.49Å; S601-R605 PolarHBondContact O-N 3.06Å; N602-R605 PolarHBondContact O-N 3.27Å; M603-R605 VanDerWaalsContact C-N 3.33Å; M603-R605 PolarHBondContact O-N 2.94Å; R605-R608 PolarHBondContact O-N 3.35Å; R605-N609 VanDerWaalsContact O-CB 3.24Å; R605-N609 WeakPolarHBondContact O-CB 3.47Å; R605-N609 PolarHBondContact O-N 2.95Å; R605-N609 PolarHBondContact O-OD1 2.79Å
606	H	88.6	Confident	78.4	Confident	16 Å²	16	83.7 Å²	83.7	7%	0.074	42%	0.42	C	S	.	.	H	α-helix	trans	-63.9	-47.8	174.8	162	77.7	0	0	0	111.4	C590 C593 F597 N602 M603 Q604 R608 N609 I610 H611	C590-H606 PolarHBondContact SG-CD2 3.43Å; C590-H606 PolarHBondContact SG-NE2 3.4Å; C593-H606 PolarHBondContact SG-NE2 3.41Å; F597-H606 HydrophobicContact CE1-CB 3.85Å; F597-H606 HydrophobicContact CE2-CB 4.07Å; F597-H606 AromaticContact CE2-CD2 3.68Å; F597-H606 AromaticContact CE2-CG 3.9Å; F597-H606 HydrophobicContact CZ-CB 3.36Å; F597-H606 AromaticContact CZ-CD2 3.58Å; F597-H606 AromaticContact CZ-CG 3.31Å; F597-H606 AromaticContact CZ-ND1 3.92Å; N602-H606 WeakPolarHBondContact O-CB 3.23Å; N602-H606 PolarHBondContact O-N 3.5Å; M603-H606 CarbonylContact O-C 3.56Å; M603-H606 WeakPolarHBondContact O-CA 3.4Å; M603-H606 WeakPolarHBondContact O-CB 3.16Å; M603-H606 PolarHBondContact O-N 3.2Å; Q604-H606 VanDerWaalsContact C-N 3.32Å; H606-R608 VanDerWaalsContact C-N 3.32Å; H606-R608 PolarHBondContact O-N 2.87Å; H606-N609 PolarHBondContact O-N 3.42Å; H606-I610 WeakPolarHBondContact ND1-CG1 3.44Å; H606-I610 WeakPolarHBondContact O-CB 2.67Å; H606-I610 PolarHBondContact O-N 3.49Å; H606-H611 AromaticContact CE1-NE2 3.69Å; H606-H611 AromaticContact NE2-CD2 3.58Å; H606-H611 AromaticContact NE2-NE2 3.17Å; H606-H611 PolarHBondContact NE2-NE2 3.44Å; H606-H611 VanDerWaalsContact NE2-NE2 3.17Å
607	V	88.3	Confident	75.8	Confident	34 Å²	34	89.8 Å²	89.8	21%	0.206	44%	0.444	C	S	.	.	I	π-helix	trans	-54.3	-49.4	173.1	174.2	0	0	0	0	110.7	P591 M603 Q604 N609 H611 S612	P591-V607 HydrophobicContact CG-CG2 4.15Å; M603-V607 WeakPolarHBondContact O-CG2 3.48Å; M603-V607 PolarHBondContact O-N 3.39Å; Q604-V607 PolarHBondContact O-N 3.28Å; V607-N609 PolarHBondContact O-N 3.43Å; V607-H611 WeakPolarHBondContact O-CA 3.47Å; V607-H611 WeakPolarHBondContact O-CB 3.43Å; V607-H611 PolarHBondContact O-N 3.39Å; V607-S612 PolarHBondContact O-N 3.46Å
608	R	87.1	Confident	73.3	Confident	149 Å²	149	96.3 Å²	96.3	56%	0.562	48%	0.478	S	S	*	.	I	π-helix	trans	-65.7	-35.1	-179.1	-158.7	-174.7	-54.9	124.9	4.6	113.6	Q604 R605 H606 S612	Q604-R608 WeakPolarHBondContact O-CB 3.16Å; Q604-R608 PolarHBondContact O-N 3.43Å; R605-R608 PolarHBondContact O-N 3.35Å; H606-R608 VanDerWaalsContact C-N 3.32Å; H606-R608 PolarHBondContact O-N 2.87Å; R608-S612 WeakPolarHBondContact O-CB 3.34Å
609	N	86.3	Confident	70.9	Confident	82 Å²	82	103.9 Å²	103.9	44%	0.439	51%	0.507	S	S	.	.	I	π-helix	trans	-93.3	-31.7	-173	-69.5	0.3	0	0	0	113.7	R605 H606 V607 R613	R605-N609 VanDerWaalsContact O-CB 3.24Å; R605-N609 WeakPolarHBondContact O-CB 3.47Å; R605-N609 PolarHBondContact O-N 2.95Å; R605-N609 PolarHBondContact O-OD1 2.79Å; H606-N609 PolarHBondContact O-N 3.42Å; V607-N609 PolarHBondContact O-N 3.43Å; N609-R613 WeakPolarHBondContact O-CD 3.47Å; N609-R613 PolarHBondContact O-NH1 3.38Å
610	I	85.5	Confident	68.3	Low	87 Å²	87	109.5 Å²	109.5	45%	0.446	54%	0.538	S	S	.	.	I	π-helix	trans	-98.7	-48.6	-175.8	-56.5	-56.3	0	0	0	110.3	H606	H606-I610 WeakPolarHBondContact ND1-CG1 3.44Å; H606-I610 WeakPolarHBondContact O-CB 2.67Å; H606-I610 PolarHBondContact O-N 3.49Å
611	H	83.4	Confident	65.5	Low	60 Å²	60	113.5 Å²	113.5	28%	0.278	57%	0.565	S	S	.	*	I	π-helix	trans	-90.7	-26.6	-173.8	-60.9	-70.4	0	0	0	113.1	C590 H592 H606 V607 R613	C590-H611 PolarHBondContact SG-CD2 3.28Å; C590-H611 PolarHBondContact SG-NE2 3.1Å; C590-H611 VanDerWaalsContact SG-NE2 3.38Å; H592-H611 HydrophobicContact CB-CB 4.28Å; H592-H611 WeakPolarHBondContact CB-CE1 3.24Å; H592-H611 VanDerWaalsContact CB-ND1 3.31Å; H592-H611 WeakPolarHBondContact CB-ND1 3.14Å; H592-H611 AromaticContact CD2-CG 3.77Å; H592-H611 AromaticContact CG-CG 3.91Å; H606-H611 AromaticContact CE1-NE2 3.69Å; H606-H611 AromaticContact NE2-CD2 3.58Å; H606-H611 AromaticContact NE2-NE2 3.17Å; H606-H611 PolarHBondContact NE2-NE2 3.44Å; H606-H611 VanDerWaalsContact NE2-NE2 3.17Å; V607-H611 WeakPolarHBondContact O-CA 3.47Å; V607-H611 WeakPolarHBondContact O-CB 3.43Å; V607-H611 PolarHBondContact O-N 3.39Å; H611-R613 VanDerWaalsContact C-N 3.25Å; H611-R613 PolarHBondContact O-N 3.46Å
612	S	70	Confident	63.4	Low	77 Å²	77	123.8 Å²	123.8	54%	0.538	60%	0.601	S	S	.	*	S	Bend	trans	-83.3	9.2	177.9	-151	0	0	0	0	114.4	V607 R608 N614	V607-S612 PolarHBondContact O-N 3.46Å; R608-S612 WeakPolarHBondContact O-CB 3.34Å; S612-N614 PolarHBondContact O-N 2.89Å
613	R	53.1	Low	62.2	Low	181 Å²	181	127.4 Å²	127.4	68%	0.683	62%	0.617	S	S	*	*			trans	-72.9	7.3	-170.9	-115.6	179.6	-174.3	137.5	-4.6	115.8	N609 H611 N615	N609-R613 WeakPolarHBondContact O-CD 3.47Å; N609-R613 PolarHBondContact O-NH1 3.38Å; H611-R613 VanDerWaalsContact C-N 3.25Å; H611-R613 PolarHBondContact O-N 3.46Å; R613-N615 VanDerWaalsContact C-N 3.32Å; R613-N615 PolarHBondContact O-N 3.27Å
614	N	46.4	Very low	60.6	Low	149 Å²	149	132.4 Å²	132.4	80%	0.797	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	20.9	-179.6	-74.4	-3.8	0	0	0	115.5	S612	S612-N614 PolarHBondContact O-N 2.89Å
615	N	38	Very low	59.1	Low	147 Å²	147	134.3 Å²	134.3	79%	0.786	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.7	14.4	-173.7	-95	-25.1	0	0	0	119.3	R613	R613-N615 VanDerWaalsContact C-N 3.32Å; R613-N615 PolarHBondContact O-N 3.27Å
616	L	37.4	Very low	57.4	Low	155 Å²	155	134.1 Å²	134.1	81%	0.812	66%	0.659	S	S	*	*	S	Bend	trans	-146.8	43.5	179.2	-75.6	173.7	0	0	0	115
617	F	34	Very low	55.5	Low	211 Å²	211	141.4 Å²	141.4	93%	0.925	70%	0.696	S	S	*	*			trans	-155.8	62	162	-76.4	-73	0	0	0	110.8
618	I	35.7	Very low	53.3	Low	170 Å²	170	148.6 Å²	148.6	87%	0.872	73%	0.729	S	S	*	*			trans	-138.9	85.6	157.8	-54.3	178.3	0	0	0	106.3
619	K	33.4	Very low	50.9	Low	192 Å²	192	148.6 Å²	148.6	84%	0.835	74%	0.74	S	S	*	*	S	Bend	trans	-167.8	130.1	155	-103.1	168.5	-172.4	-172.4	0	105.1
620	D	33.4	Very low	48.1	Very low	162 Å²	162	153.7 Å²	153.7	87%	0.866	76%	0.764	S	S	*	*	S	Bend	trans	98.7	60.9	176.5	-44.5	-14.9	0	0	0	115.1
621	S	31.7	Very low	45	Very low	121 Å²	121	159.3 Å²	159.3	85%	0.846	79%	0.79	S	S	*	*			trans	-158.4	76.5	148.9	67.8	0	0	0	0	110.7
622	K	43.9	Very low	41.5	Very low	286 Å²	286	168.3 Å²	168.3	100%	1.243	84%	0.837	S	S	*	*			trans	-167.2	0	149.4	-110.1	-177.7	-175.6	-175.3	0	109.4

Retrieved 622 of 622 residues in 108.7 ms (Link to these results)

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