A0A3Q0KV77_SCHMA Loading...

ETS domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KV77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 689 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	43.7	Very low	36.5	Very low	247 Å²	247	156.9 Å²	156.9	100%	1.217	79%	0.793	S	S	*	*				0	124.6	0	-169.4	161.3	169	0	0	106.2
2	F	30.7	Very low	36.1	Very low	199 Å²	199	155 Å²	155	87%	0.873	80%	0.802	S	S	*	*			trans	-73.7	167.8	-177.2	-82.2	-99.1	0	0	0	111.5
3	P	43.4	Very low	35.5	Very low	94 Å²	94	155.9 Å²	155.9	61%	0.61	80%	0.801	S	S	*	*			cis	-142.3	-127.6	-46.9	42.4	-23.1	0	0	0	111
4	I	39.4	Very low	35.4	Very low	150 Å²	150	156.9 Å²	156.9	77%	0.769	81%	0.807	S	S	*	*			trans	87.7	93.7	176.4	-53.2	163.6	0	0	0	111.6
5	L	35.6	Very low	35.3	Very low	123 Å²	123	153.3 Å²	153.3	64%	0.644	80%	0.801	S	S	*	*			cis	88.4	133	47.8	-68.7	170.3	0	0	0	113.5
6	E	35.1	Very low	35	Very low	156 Å²	156	153.9 Å²	153.9	73%	0.729	81%	0.806	S	S	*	*			trans	57	138.6	142.3	-73	155.1	163.9	0	0	118.1
7	E	35.6	Very low	35.1	Very low	170 Å²	170	154.6 Å²	154.6	79%	0.794	80%	0.803	S	S	*	*			cis	-138.6	176.9	7.2	-99.8	151.4	174.7	0	0	107
8	I	40.3	Very low	35.2	Very low	156 Å²	156	154.7 Å²	154.7	80%	0.8	81%	0.805	S	S	*	*				-156.2	142.2	51.7	-70.5	163.9	0	0	0	109.2
9	N	29.9	Very low	34.8	Very low	135 Å²	135	152.6 Å²	152.6	72%	0.722	80%	0.803	S	S	*	*			trans	-103.1	122.9	177.9	172.7	15.5	0	0	0	110.9
10	L	38.4	Very low	34.6	Very low	172 Å²	172	152.1 Å²	152.1	90%	0.901	80%	0.8	S	S	*	*			trans	-133.6	129.8	161.1	-78.9	179.1	0	0	0	110.5
11	N	29.9	Very low	34.5	Very low	124 Å²	124	153.8 Å²	153.8	66%	0.663	80%	0.801	S	S	*	*			trans	-133.1	126.6	-166.2	175.2	20.4	0	0	0	109.2
12	C	31.6	Very low	34	Very low	134 Å²	134	150.7 Å²	150.7	91%	0.905	78%	0.781	S	S	*	*			trans	-139.6	111.6	175.6	-96.9	0	0	0	0	110.8
13	Q	28.4	Very low	34	Very low	167 Å²	167	149 Å²	149	78%	0.78	78%	0.776	S	S	*	*			trans	-96.2	144.3	169.5	-54.6	173.7	-71.9	0	0	109.9
14	L	33.3	Very low	33.5	Very low	170 Å²	170	155 Å²	155	89%	0.89	79%	0.788	S	S	*	*			trans	168.9	136.3	151.8	-90.5	145.4	0	0	0	107.2
15	S	35.1	Very low	33	Very low	102 Å²	102	154.8 Å²	154.8	71%	0.713	79%	0.788	S	S	*	*			cis	-165.4	151.9	-18.5	36.6	0	0	0	0	109.2
16	N	29.3	Very low	32.7	Very low	164 Å²	164	156.5 Å²	156.5	88%	0.877	80%	0.798	S	S	*	*			trans	-70.1	149	175.4	-64.5	-38.3	0	0	0	112.4
17	E	37.5	Very low	32.7	Very low	165 Å²	165	155 Å²	155	77%	0.771	79%	0.794	S	S	*	*			trans	-150.4	155	149.4	-106.5	-53.1	134	0	0	110.9
18	L	35.9	Very low	32.3	Very low	157 Å²	157	155.7 Å²	155.7	82%	0.822	80%	0.797	S	S	*	*			trans	50.9	96.4	169.3	-76.6	151.6	0	0	0	120.5
19	C	28.1	Very low	32.1	Very low	114 Å²	114	158.9 Å²	158.9	77%	0.77	80%	0.799	S	S	*	*			trans	-90	-174.8	156.1	-174.1	0	0	0	0	110.8
20	L	31.6	Very low	32.1	Very low	143 Å²	143	156.7 Å²	156.7	75%	0.749	80%	0.795	S	S	*	*			trans	87.3	146.4	179.9	-51.3	168.2	0	0	0	114.5
21	F	32	Very low	32.1	Very low	188 Å²	188	156.1 Å²	156.1	83%	0.825	79%	0.789	S	S	*	*			cis	-126.4	166	9	-122.8	-81.9	0	0	0	113
22	K	32.7	Very low	32.2	Very low	181 Å²	181	157.6 Å²	157.6	79%	0.787	80%	0.797	S	S	*	*			trans	-93.5	170.7	176.3	-60.1	-179.7	175.7	178.7	0	112.9
23	Q	31	Very low	32.6	Very low	165 Å²	165	159.6 Å²	159.6	77%	0.771	79%	0.793	S	S	*	*			trans	80.3	109.5	135	-175.1	175.1	-7.9	0	0	118.5
24	Y	33.1	Very low	33.1	Very low	219 Å²	219	160.3 Å²	160.3	86%	0.859	79%	0.793	S	S	*	*			trans	-156.3	102.3	142	-100	-68.8	0	0	0	110.2
25	D	28.6	Very low	33	Very low	146 Å²	146	158 Å²	158	78%	0.781	79%	0.787	S	S	*	*			trans	-95	171.3	152.9	-79.5	-61.9	0	0	0	108.4
26	D	29.2	Very low	33.1	Very low	159 Å²	159	160.9 Å²	160.9	85%	0.85	79%	0.789	S	S	*	*			trans	55.3	99	172.4	-67.3	-28.2	0	0	0	118.2
27	I	35.4	Very low	33.4	Very low	124 Å²	124	158.7 Å²	158.7	64%	0.636	78%	0.781	S	S	*	*			trans	-136.6	111.3	148.5	-38.8	175.5	0	0	0	110.9	W29	I27-W29 VanDerWaalsContact CG2-NE1 3.3Å
28	Q	27.8	Very low	33	Very low	185 Å²	185	158 Å²	158	86%	0.864	78%	0.783	S	S	*	*			trans	-72.6	132.7	160.5	-72.7	-177.7	-105.4	0	0	109.6
29	W	34.5	Very low	32.9	Very low	222 Å²	222	159.1 Å²	159.1	84%	0.841	78%	0.784	S	S	*	*			trans	-113.8	102.8	165.2	-78.3	76.5	0	0	0	110.4	I27	I27-W29 VanDerWaalsContact CG2-NE1 3.3Å
30	S	29.7	Very low	33.1	Very low	90 Å²	90	158.5 Å²	158.5	63%	0.629	78%	0.777	S	S	*	*			trans	-120	121.6	162.2	53	0	0	0	0	108
31	M	39.3	Very low	33	Very low	160 Å²	160	158.6 Å²	158.6	79%	0.788	78%	0.778	S	S	*	*			trans	-145.2	123.1	170.8	-98.9	-67.4	119.3	0	0	108.6
32	D	31.8	Very low	33.2	Very low	155 Å²	155	157.2 Å²	157.2	83%	0.829	78%	0.775	S	S	*	*			trans	-122.3	99.6	178.3	-80.9	-57	0	0	0	109.2
33	E	39.4	Very low	33.6	Very low	176 Å²	176	154.8 Å²	154.8	82%	0.822	77%	0.769	S	S	*	*			trans	-147.7	112.7	161.3	-103.2	172.7	156	0	0	106.5
34	K	38.7	Very low	34.1	Very low	181 Å²	181	153.2 Å²	153.2	79%	0.787	77%	0.766	S	S	*	*				70.1	113.9	60.7	-71.4	-172.7	174.8	178.1	0	114.1
35	T	33.2	Very low	34.7	Very low	123 Å²	123	149.3 Å²	149.3	76%	0.755	76%	0.76	S	S	*	*			trans	63.4	152	154	41.7	0	0	0	0	116.5
36	E	35.8	Very low	35.6	Very low	162 Å²	162	147.9 Å²	147.9	76%	0.757	75%	0.752	S	S	*	*			cis	-154	166	12.1	-139.4	151.6	-150.2	0	0	113.3
37	T	36.5	Very low	36.3	Very low	117 Å²	117	147.6 Å²	147.6	72%	0.718	74%	0.744	S	S	*	*			trans	28.2	122.5	158	46.2	0	0	0	0	124.4
38	N	28	Very low	36.8	Very low	151 Å²	151	147.6 Å²	147.6	81%	0.807	74%	0.744	S	S	*	*			trans	-6.3	135	135.2	-35.6	-32.5	0	0	0	119.6
39	Q	34.1	Very low	37.9	Very low	180 Å²	180	143.5 Å²	143.5	84%	0.841	73%	0.727	S	S	*	*				-168.3	107.1	126	-147.1	125.1	9.7	0	0	110
40	T	31.9	Very low	38.5	Very low	101 Å²	101	139.1 Å²	139.1	62%	0.62	72%	0.716	S	S	*	*				53.9	123.1	113.6	69.1	0	0	0	0	119.1
41	D	31.5	Very low	39.3	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	71%	0.707	S	S	*	*			trans	62.5	157.4	138.3	-43.3	-22.6	0	0	0	118.1
42	E	35.7	Very low	39.5	Very low	160 Å²	160	136.7 Å²	136.7	75%	0.748	70%	0.695	S	S	*	*			cis	-160	173	10.5	-145.7	173.6	-156.7	0	0	109.1
43	I	39.9	Very low	40.4	Very low	130 Å²	130	133.4 Å²	133.4	67%	0.667	68%	0.677	S	S	*	*			trans	70.8	149.1	158	-65.9	159	0	0	0	116
44	D	42.9	Very low	40.5	Very low	132 Å²	132	130.1 Å²	130.1	71%	0.706	67%	0.666	S	S	*	*			cis	-120.7	142.7	6.8	-90.2	-64.5	0	0	0	112.7
45	D	45.4	Very low	40.5	Very low	137 Å²	137	127.8 Å²	127.8	73%	0.733	66%	0.661	S	S	*	*			trans	-89.4	-17.8	174.2	-77.4	-67	0	0	0	114.7	F47 L48	D45-F47 VanDerWaalsContact C-N 3.27Å; D45-F47 PolarHBondContact O-N 3.07Å; D45-F47 VanDerWaalsContact O-N 3.16Å; D45-L48 PolarHBondContact O-N 2.56Å
46	D	47.1	Very low	41.1	Very low	116 Å²	116	127 Å²	127	62%	0.62	65%	0.647	S	S	*	*	H	α-helix	trans	-62.8	-26.8	-170.3	-95	-11.2	0	0	0	114.2	L48 L49 Q50	D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 2.77Å; D46-L49 PolarHBondContact O-N 2.68Å; D46-Q50 PolarHBondContact O-N 3.18Å
47	F	43.2	Very low	41.3	Very low	153 Å²	153	126.1 Å²	126.1	67%	0.671	64%	0.643	S	S	*	*	H	α-helix	trans	-65.4	-27.5	-176.9	-164.9	-104.3	0	0	0	113.2	D45 I51	D45-F47 VanDerWaalsContact C-N 3.27Å; D45-F47 PolarHBondContact O-N 3.07Å; D45-F47 VanDerWaalsContact O-N 3.16Å; F47-I51 HydrophobicContact CD1-CD1 4.12Å; F47-I51 HydrophobicContact CE1-CD1 3.95Å
48	L	46.6	Very low	41.4	Very low	123 Å²	123	128.7 Å²	128.7	64%	0.644	65%	0.647	S	S	*	*	H	α-helix	trans	-74.7	-37.1	177.5	-72.4	168.6	0	0	0	112	D45 D46 Q50 I51 E52	D45-L48 PolarHBondContact O-N 2.56Å; D46-L48 VanDerWaalsContact C-N 3.26Å; D46-L48 PolarHBondContact O-N 2.77Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 2.62Å; L48-I51 PolarHBondContact O-N 3.15Å; L48-E52 PolarHBondContact O-N 3.33Å
49	L	50.7	Low	41.7	Very low	99 Å²	99	130.2 Å²	130.2	52%	0.518	65%	0.649	S	S	.	*	H	α-helix	trans	-69.8	-26.3	177.6	-68.9	171.7	0	0	0	112.6	D46 N53	D46-L49 PolarHBondContact O-N 2.68Å; L49-N53 PolarHBondContact O-N 3.27Å; L49-N53 PolarHBondContact O-ND2 3.16Å
50	Q	46.8	Very low	41.9	Very low	130 Å²	130	127.5 Å²	127.5	61%	0.607	64%	0.639	S	S	*	*	H	α-helix	trans	-66.6	-38.9	173.3	-154.7	88	80.6	0	0	111.8	D46 L48 N54	D46-Q50 PolarHBondContact O-N 3.18Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; L48-Q50 PolarHBondContact O-N 2.62Å; Q50-N54 PolarHBondContact O-ND2 3.16Å
51	I	47.5	Very low	42.1	Very low	85 Å²	85	127.9 Å²	127.9	44%	0.436	64%	0.641	S	S	.	*	H	α-helix	trans	-72.3	-43.2	-179.2	-63.5	168	0	0	0	110.7	F47 L48 N53 N54	F47-I51 HydrophobicContact CD1-CD1 4.12Å; F47-I51 HydrophobicContact CE1-CD1 3.95Å; L48-I51 PolarHBondContact O-N 3.15Å; I51-N53 PolarHBondContact O-N 3.47Å; I51-N54 PolarHBondContact O-N 3.33Å
52	E	44	Very low	42.1	Very low	115 Å²	115	129.2 Å²	129.2	54%	0.537	65%	0.647	S	S	.	*	H	α-helix	trans	-72.4	-11.7	-175.6	-147.2	-158.7	-127.2	0	0	114.2	L48 K56	L48-E52 PolarHBondContact O-N 3.33Å; E52-K56 WeakPolarHBondContact O-CD 3.32Å; E52-K56 WeakPolarHBondContact O-CE 2.94Å; E52-K56 PolarHBondContact O-NZ 3.47Å; E52-K56 IonicContact OE2-NZ 2.77Å; E52-K56 PolarHBondContact OE2-NZ 2.83Å
53	N	49.4	Very low	41.8	Very low	85 Å²	85	128.9 Å²	128.9	46%	0.455	65%	0.651	S	S	.	*	H	α-helix	trans	-97.6	-31	175.4	-74.7	-60.4	0	0	0	113.5	L49 I51 L55 K56	L49-N53 PolarHBondContact O-N 3.27Å; L49-N53 PolarHBondContact O-ND2 3.16Å; I51-N53 PolarHBondContact O-N 3.47Å; N53-L55 VanDerWaalsContact C-N 3.32Å; N53-L55 PolarHBondContact O-N 3.07Å; N53-K56 PolarHBondContact O-N 3.13Å; N53-K56 VanDerWaalsContact O-N 3.16Å
54	N	42.5	Very low	41.4	Very low	108 Å²	108	129.7 Å²	129.7	58%	0.578	66%	0.657	S	S	*	*	H	α-helix	trans	-66.8	-35.7	176.6	-70.2	-14.4	0	0	0	111.8	Q50 I51 K56 H57	Q50-N54 PolarHBondContact O-ND2 3.16Å; I51-N54 PolarHBondContact O-N 3.33Å; N54-K56 PolarHBondContact O-N 3.11Å; N54-K56 VanDerWaalsContact O-N 3.11Å; N54-H57 PolarHBondContact O-N 2.83Å
55	L	38.9	Very low	40.8	Very low	132 Å²	132	130 Å²	130	69%	0.691	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-10.1	173.5	-89.8	160.8	0	0	0	114.9	N53	N53-L55 VanDerWaalsContact C-N 3.32Å; N53-L55 PolarHBondContact O-N 3.07Å
56	K	44.6	Very low	40.2	Very low	107 Å²	107	131.1 Å²	131.1	47%	0.465	66%	0.664	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.7	1.6	-179.8	-63.5	172.5	-178.2	126.3	0	113.4	E52 N53 N54	E52-K56 WeakPolarHBondContact O-CD 3.32Å; E52-K56 WeakPolarHBondContact O-CE 2.94Å; E52-K56 PolarHBondContact O-NZ 3.47Å; E52-K56 IonicContact OE2-NZ 2.77Å; E52-K56 PolarHBondContact OE2-NZ 2.83Å; N53-K56 PolarHBondContact O-N 3.13Å; N53-K56 VanDerWaalsContact O-N 3.16Å; N54-K56 PolarHBondContact O-N 3.11Å; N54-K56 VanDerWaalsContact O-N 3.11Å
57	H	40	Very low	39.5	Very low	142 Å²	142	132.4 Å²	132.4	66%	0.657	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	-16.6	-173.1	-104.7	-70	0	0	0	116.1	N54	N54-H57 PolarHBondContact O-N 2.83Å
58	E	38.9	Very low	39	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.804	68%	0.677	S	S	*	*	S	Bend	trans	-85.4	-20.8	177.7	-71.8	-172.9	116.4	0	0	114	I60	E58-I60 PolarHBondContact O-N 2.82Å
59	E	34.5	Very low	38.4	Very low	183 Å²	183	132.5 Å²	132.5	86%	0.855	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	0.8	-180	-156.4	173.7	-165.5	0	0	114.1
60	I	37.2	Very low	37.7	Very low	122 Å²	122	135.7 Å²	135.7	63%	0.626	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-12.5	-169.9	-66.2	173.8	0	0	0	113	E58	E58-I60 PolarHBondContact O-N 2.82Å
61	T	36.1	Very low	36.9	Very low	110 Å²	110	137.2 Å²	137.2	68%	0.675	70%	0.704	S	S	*	*	S	Bend	trans	-120.7	22.1	-157.8	-29.7	0	0	0	0	116.7
62	L	33	Very low	36.4	Very low	172 Å²	172	142.6 Å²	142.6	90%	0.901	72%	0.724	S	S	*	*	S	Bend	trans	-130.1	4.8	171.3	-77.3	178.1	0	0	0	115.8	N64	L62-N64 PolarHBondContact O-N 3.19Å
63	N	29.9	Very low	36	Very low	154 Å²	154	143.5 Å²	143.5	82%	0.824	74%	0.737	S	S	*	*			trans	-94.5	82.4	169.6	-92.6	-23.7	0	0	0	110.9
64	N	31.3	Very low	35	Very low	147 Å²	147	147.1 Å²	147.1	79%	0.786	76%	0.756	S	S	*	*			trans	-164.1	153	164.4	-95.2	-51.4	0	0	0	111.5	L62	L62-N64 PolarHBondContact O-N 3.19Å
65	N	30.3	Very low	34.5	Very low	139 Å²	139	149.5 Å²	149.5	74%	0.743	77%	0.769	S	S	*	*			trans	69.1	84.9	170.4	-47.5	-29.3	0	0	0	116.9
66	N	32.6	Very low	34.2	Very low	159 Å²	159	152.3 Å²	152.3	85%	0.85	78%	0.776	S	S	*	*				179.7	112.4	98.5	-82.6	-21.3	0	0	0	110.3
67	N	30.9	Very low	33.8	Very low	143 Å²	143	153.5 Å²	153.5	77%	0.765	79%	0.785	S	S	*	*			trans	-95.9	170.5	169.8	-66.6	-21.8	0	0	0	110.1
68	D	33.4	Very low	33.3	Very low	149 Å²	149	155 Å²	155	80%	0.797	80%	0.798	S	S	*	*			trans	69.7	135.7	163.4	-44.3	-48.2	0	0	0	114.2
69	D	34.3	Very low	32.9	Very low	130 Å²	130	154.3 Å²	154.3	70%	0.695	80%	0.795	S	S	*	*			cis	-161.6	172.7	32.9	-147.5	-26.4	0	0	0	113.8
70	H	35.9	Very low	33.1	Very low	165 Å²	165	153.1 Å²	153.1	76%	0.764	79%	0.792	S	S	*	*			trans	75.4	91.6	156.8	-65.4	5.6	0	0	0	121.5
71	N	30.4	Very low	33	Very low	163 Å²	163	157.6 Å²	157.6	87%	0.872	80%	0.803	S	S	*	*			trans	-78.4	136.5	148.5	-89.1	-52.2	0	0	0	112
72	K	36.7	Very low	32.8	Very low	198 Å²	198	158 Å²	158	86%	0.861	81%	0.806	S	S	*	*			trans	-170.5	164.2	149.9	-112.7	153.9	-170.6	166.9	0	115.4
73	T	35.1	Very low	32.9	Very low	134 Å²	134	157.7 Å²	157.7	82%	0.822	81%	0.805	S	S	*	*			trans	59.7	76.8	171.4	58.9	0	0	0	0	117.9
74	N	29	Very low	33	Very low	160 Å²	160	156.7 Å²	156.7	86%	0.856	80%	0.798	S	S	*	*			trans	-85.1	131.4	132.8	-93.1	-24.3	0	0	0	108
75	D	30.9	Very low	33.1	Very low	158 Å²	158	155.6 Å²	155.6	85%	0.845	80%	0.802	S	S	*	*			trans	168.9	103	150	-96.1	-20	0	0	0	109.7
76	F	33.8	Very low	33.1	Very low	192 Å²	192	156.6 Å²	156.6	84%	0.842	81%	0.807	S	S	*	*			trans	178.9	153.1	130.6	-116.8	-115.1	0	0	0	112.9
77	M	36.2	Very low	33.4	Very low	131 Å²	131	158 Å²	158	65%	0.645	81%	0.809	S	S	*	*			trans	60.2	67.6	168.2	-50.5	-45.7	-75.9	0	0	119.1	E79	M77-E79 HydrophobicContact CE-CB 4.4Å; M77-E79 PolarHBondContact O-N 2.79Å
78	N	29.4	Very low	33.7	Very low	173 Å²	173	157.3 Å²	157.3	93%	0.925	80%	0.804	S	S	*	*			trans	-69.4	97.7	132.5	-96.4	-30.1	0	0	0	108.7
79	E	31	Very low	33.5	Very low	158 Å²	158	157.3 Å²	157.3	74%	0.738	80%	0.803	S	S	*	*			trans	-171.5	109.8	154.2	-117.1	179.5	168.7	0	0	111.8	M77	M77-E79 HydrophobicContact CE-CB 4.4Å; M77-E79 PolarHBondContact O-N 2.79Å
80	I	38	Very low	33.6	Very low	158 Å²	158	162.1 Å²	162.1	81%	0.81	81%	0.811	S	S	*	*	S	Bend	trans	169.6	110.5	137.8	-91.2	160.6	0	0	0	110
81	Y	34.3	Very low	33.4	Very low	216 Å²	216	162.4 Å²	162.4	85%	0.847	81%	0.813	S	S	*	*			trans	59.1	92	157.7	-73.9	-96.9	0	0	0	120.4
82	T	32	Very low	33.4	Very low	119 Å²	119	159.5 Å²	159.5	73%	0.73	81%	0.806	S	S	*	*			trans	-45	137.1	139.6	49.9	0	0	0	0	113.7
83	D	34.9	Very low	33	Very low	165 Å²	165	155.9 Å²	155.9	88%	0.882	80%	0.801	S	S	*	*				-154.4	156.7	114.7	-134.9	-25.5	0	0	0	110.8
84	I	33.5	Very low	32.8	Very low	133 Å²	133	155.1 Å²	155.1	68%	0.682	80%	0.8	S	S	*	*			trans	-125	143.3	-159.9	-64.1	170.1	0	0	0	113
85	S	32.9	Very low	33.1	Very low	125 Å²	125	153.4 Å²	153.4	87%	0.874	80%	0.798	S	S	*	*			trans	-159.9	79	152.5	-78.7	0	0	0	0	112.3
86	D	30.5	Very low	33.1	Very low	159 Å²	159	151.8 Å²	151.8	85%	0.85	80%	0.798	S	S	*	*			trans	-110.1	125.3	168.6	-89.4	-41	0	0	0	110.9
87	E	37.6	Very low	33.1	Very low	188 Å²	188	147.8 Å²	147.8	88%	0.879	79%	0.793	S	S	*	*			trans	-155.5	122.2	170.3	-167.3	176.5	-128.3	0	0	108.8
88	L	37.1	Very low	32.9	Very low	129 Å²	129	146.9 Å²	146.9	68%	0.675	80%	0.8	S	S	*	*			cis	-151.2	135.2	-7.7	-160	71.8	0	0	0	109
89	I	30.8	Very low	33.1	Very low	150 Å²	150	148 Å²	148	77%	0.769	80%	0.8	S	S	*	*			trans	-92.6	134.7	166.9	-64.1	175.3	0	0	0	108.8
90	W	36.5	Very low	33.2	Very low	230 Å²	230	145.2 Å²	145.2	87%	0.871	80%	0.798	S	S	*	*			trans	-125.9	147.4	162	-95.7	74.6	0	0	0	111.3
91	Q	31.2	Very low	33	Very low	171 Å²	171	144.3 Å²	144.3	80%	0.799	79%	0.793	S	S	*	*			trans	-101.9	171.8	-153	-66.5	179.3	-16.1	0	0	114.6
92	S	29.1	Very low	32.9	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	78%	0.784	S	S	*	*			trans	-54.6	162.8	164.3	49.2	0	0	0	0	112.2
93	T	30	Very low	32.8	Very low	123 Å²	123	138.7 Å²	138.7	76%	0.755	78%	0.781	S	S	*	*				-169.4	160.3	57.8	42	0	0	0	0	111.4
94	S	30.9	Very low	32.7	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	78%	0.78	S	S	*	*				166.7	134.7	128.3	-87.7	0	0	0	0	112
95	P	33.6	Very low	32.8	Very low	125 Å²	125	140.5 Å²	140.5	81%	0.812	79%	0.788	S	S	*	*			trans	-106	160.5	179.3	39.2	-33.3	0	0	0	113.6
96	C	30.8	Very low	32.8	Very low	123 Å²	123	140.7 Å²	140.7	83%	0.831	79%	0.788	S	S	*	*			trans	-164	147.6	149.4	-135.7	0	0	0	0	114.5
97	S	35	Very low	33	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	79%	0.785	S	S	*	*			trans	55.6	94.3	151.9	-57	0	0	0	0	120
98	S	30.7	Very low	32.7	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	78%	0.779	S	S	*	*			trans	-63.3	142.9	141.1	51	0	0	0	0	111.9
99	E	34.3	Very low	32.7	Very low	196 Å²	196	142.4 Å²	142.4	92%	0.916	79%	0.789	S	S	*	*			trans	-163.6	179.4	135.8	-114.1	167.5	-160.3	0	0	110.4
100	S	33.9	Very low	33	Very low	99 Å²	99	142 Å²	142	69%	0.692	79%	0.788	S	S	*	*			trans	-120.3	179.2	-140.2	60.4	0	0	0	0	117
101	I	34	Very low	33	Very low	140 Å²	140	139.5 Å²	139.5	72%	0.718	79%	0.791	S	S	*	*			trans	104.3	128.9	146	-119.7	72	0	0	0	120
102	D	32.1	Very low	33.3	Very low	121 Å²	121	140.2 Å²	140.2	65%	0.647	79%	0.792	S	S	*	*			trans	54.7	96.7	150.6	-61.8	-10.5	0	0	0	124.1
103	S	29.4	Very low	33.5	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	79%	0.789	S	S	*	*				44.7	114.7	118.1	71.5	0	0	0	0	120.7
104	F	32	Very low	33.8	Very low	196 Å²	196	143.6 Å²	143.6	86%	0.86	79%	0.791	S	S	*	*			trans	-128.8	100.1	154.4	-80.1	-79.8	0	0	0	112.5	C106	F104-C106 PolarHBondContact O-N 3.32Å
105	T	35.9	Very low	34.3	Very low	139 Å²	139	145.3 Å²	145.3	85%	0.853	79%	0.79	S	S	*	*			trans	-81.8	89.7	170.1	41	0	0	0	0	110.2	N107	T105-N107 VanDerWaalsContact C-N 3.32Å; T105-N107 PolarHBondContact O-N 2.98Å
106	C	33.9	Very low	34.4	Very low	129 Å²	129	146.2 Å²	146.2	87%	0.872	79%	0.788	S	S	*	*			trans	-68	81.1	179.7	-66.5	0	0	0	0	113.1	F104	F104-C106 PolarHBondContact O-N 3.32Å
107	N	34.2	Very low	34.7	Very low	149 Å²	149	147.8 Å²	147.8	80%	0.797	79%	0.788	S	S	*	*			trans	-100.6	146.2	164.7	-165	18.3	0	0	0	110.8	T105	T105-N107 VanDerWaalsContact C-N 3.32Å; T105-N107 PolarHBondContact O-N 2.98Å
108	R	30.4	Very low	34.8	Very low	200 Å²	200	147.9 Å²	147.9	76%	0.755	79%	0.789	S	S	*	*			trans	-75	147.4	-179.5	-64.4	163.6	72.3	164.4	3.9	110.4
109	N	38.2	Very low	35.4	Very low	163 Å²	163	148.9 Å²	148.9	87%	0.872	79%	0.792	S	S	*	*				-157.5	143.3	128.3	-92	-29	0	0	0	110.2
110	D	36.1	Very low	35.6	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	79%	0.785	S	S	*	*			trans	-79.5	136.2	173.4	-65	-91.4	0	0	0	110.6
111	L	37	Very low	36.4	Very low	177 Å²	177	145.7 Å²	145.7	93%	0.927	79%	0.789	S	S	*	*			trans	-156.2	149.7	152.4	-111	169.6	0	0	0	110
112	K	37.3	Very low	36.8	Very low	187 Å²	187	144.2 Å²	144.2	81%	0.813	79%	0.791	S	S	*	*			trans	-149.8	151.9	-170.3	-173.8	169	-177.8	171.3	0	110.4
113	S	33	Very low	37.3	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	79%	0.793	S	S	*	*			trans	68.5	139.8	-164.1	72.2	0	0	0	0	112.1
114	Y	37.7	Very low	38.1	Very low	202 Å²	202	143.8 Å²	143.8	79%	0.792	80%	0.798	S	S	*	*				-143.8	158.1	50.8	-94.7	-98.2	0	0	0	115.8
115	L	40.4	Very low	39.2	Very low	152 Å²	152	139.6 Å²	139.6	80%	0.796	79%	0.79	S	S	*	*			trans	61.2	124.4	149.3	-76.6	157.4	0	0	0	122.5
116	D	36.2	Very low	39.6	Very low	144 Å²	144	138 Å²	138	77%	0.77	79%	0.785	S	S	*	*			trans	-62.8	159.1	150.3	-63.7	-81	0	0	0	112.6
117	N	37.9	Very low	40	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	78%	0.776	S	S	*	*				-170.5	152.9	117	-97.7	-59.9	0	0	0	112.2
118	S	35.6	Very low	40.6	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	77%	0.771	S	S	*	*			trans	-94.7	176.3	-177.6	-45.1	0	0	0	0	112.7
119	P	43.3	Very low	41.2	Very low	134 Å²	134	129.4 Å²	129.4	87%	0.87	77%	0.768	S	S	*	*				-147.9	176.8	89.6	39.2	-22.1	0	0	0	116
120	S	39.6	Very low	41.5	Very low	108 Å²	108	126.2 Å²	126.2	76%	0.755	76%	0.759	S	S	*	*			trans	-144	146.9	-176.1	60.4	0	0	0	0	114.2
121	P	49.7	Very low	41.8	Very low	121 Å²	121	124.6 Å²	124.6	79%	0.786	76%	0.759	S	S	*	*			trans	-109.8	179.8	146.8	36.6	-26.2	0	0	0	110.5
122	S	42.9	Very low	42.4	Very low	109 Å²	109	121.8 Å²	121.8	76%	0.762	75%	0.754	S	S	*	*			cis	-177.5	159.3	-32.5	69.4	0	0	0	0	106.2
123	S	41.9	Very low	43	Very low	97 Å²	97	118.7 Å²	118.7	68%	0.678	75%	0.753	S	S	*	*			cis	-149.6	144.5	0.7	-33.7	0	0	0	0	107.4
124	S	47.9	Very low	43.5	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	76%	0.757	S	S	*	*				74.1	157.1	88.8	90.4	0	0	0	0	116.6
125	P	54.6	Low	43.8	Very low	107 Å²	107	114.8 Å²	114.8	70%	0.695	76%	0.755	S	S	*	*				-141.4	-168.7	-83.4	40.1	-21.1	0	0	0	115.7
126	S	43.8	Very low	44	Very low	107 Å²	107	112.1 Å²	112.1	75%	0.748	75%	0.749	S	S	*	*			trans	75.4	153.7	144.8	68.7	0	0	0	0	120.3
127	S	43	Very low	44.3	Very low	97 Å²	97	110.4 Å²	110.4	68%	0.678	75%	0.748	S	S	*	*			cis	-169.8	174.6	-25.6	55.9	0	0	0	0	111
128	S	45.2	Very low	44.6	Very low	101 Å²	101	107.5 Å²	107.5	71%	0.706	74%	0.74	S	S	*	*			trans	66.4	144.8	148.3	42.5	0	0	0	0	120.6
129	S	44.2	Very low	45	Very low	99 Å²	99	107.4 Å²	107.4	69%	0.692	74%	0.739	S	S	*	*			cis	-168.7	153.5	-13.4	47.8	0	0	0	0	114
130	S	44	Very low	45.1	Very low	95 Å²	95	106 Å²	106	66%	0.664	73%	0.733	S	S	*	*			trans	63.2	131.8	140.7	60.3	0	0	0	0	123
131	S	43	Very low	45.4	Very low	109 Å²	109	105.5 Å²	105.5	76%	0.762	74%	0.735	S	S	*	*			trans	64.3	150.9	144.7	56.7	0	0	0	0	120.2
132	S	49	Very low	45.2	Very low	117 Å²	117	104.9 Å²	104.9	82%	0.818	73%	0.734	S	S	*	*			cis	-169.8	164.7	-25.7	-99.4	0	0	0	0	107.8
133	P	49.9	Very low	45.4	Very low	122 Å²	122	104.2 Å²	104.2	79%	0.792	73%	0.729	S	S	*	*			trans	-108.9	161.7	-156.5	39.8	-35.4	0	0	0	116.3
134	S	43.2	Very low	45.6	Very low	108 Å²	108	104.9 Å²	104.9	76%	0.755	73%	0.734	S	S	*	*			trans	-170	152.7	146.1	50.4	0	0	0	0	112.6
135	S	43.7	Very low	45.5	Very low	106 Å²	106	104.4 Å²	104.4	74%	0.741	73%	0.73	S	S	*	*			trans	23.3	144.8	148.2	55.1	0	0	0	0	121.7
136	S	44.5	Very low	45.1	Very low	96 Å²	96	104.2 Å²	104.2	67%	0.671	73%	0.732	S	S	*	*			cis	-179.5	170.3	0.9	46.8	0	0	0	0	110.1
137	S	42.7	Very low	45.1	Very low	108 Å²	108	103.9 Å²	103.9	76%	0.755	73%	0.729	S	S	*	*			trans	61.5	156.1	158.1	42.2	0	0	0	0	118.2
138	S	44.2	Very low	45.1	Very low	96 Å²	96	104.2 Å²	104.2	67%	0.671	73%	0.732	S	S	*	*			cis	-171.7	163.4	-22.3	52.1	0	0	0	0	108.8
139	S	44.4	Very low	45.1	Very low	107 Å²	107	104.2 Å²	104.2	75%	0.748	73%	0.732	S	S	*	*			trans	64.3	158.8	163.9	26	0	0	0	0	116.8
140	S	46.5	Very low	45	Very low	105 Å²	105	104 Å²	104	73%	0.734	73%	0.73	S	S	*	*			cis	-171	154.6	-9.8	44	0	0	0	0	111.1
141	A	45.2	Very low	45	Very low	97 Å²	97	104.5 Å²	104.5	80%	0.802	73%	0.734	S	S	*	*			trans	64.9	170.6	162.1	0	0	0	0	0	115.2
142	S	46	Very low	45	Very low	108 Å²	108	103.9 Å²	103.9	76%	0.755	73%	0.73	S	S	*	*			cis	-172.2	158.6	-14.2	31.4	0	0	0	0	107.7
143	S	46.6	Very low	44.7	Very low	96 Å²	96	103.4 Å²	103.4	67%	0.671	73%	0.726	S	S	*	*			cis	-176.2	177.4	-18.1	56.2	0	0	0	0	108.6
144	S	46.5	Very low	44.4	Very low	110 Å²	110	102.4 Å²	102.4	77%	0.769	72%	0.722	S	S	*	*			trans	64.1	154.9	159.9	32	0	0	0	0	118.2
145	S	45.8	Very low	44.4	Very low	101 Å²	101	101.8 Å²	101.8	71%	0.706	72%	0.718	S	S	*	*			cis	-171.1	167.8	-18.2	52.1	0	0	0	0	110.3
146	S	44.7	Very low	44.4	Very low	104 Å²	104	101.8 Å²	101.8	73%	0.727	72%	0.718	S	S	*	*			trans	58.2	148.7	145.9	52.8	0	0	0	0	121.3
147	S	44.2	Very low	44.3	Very low	99 Å²	99	101.8 Å²	101.8	69%	0.692	72%	0.718	S	S	*	*			cis	-177.2	168.3	-17.1	53.2	0	0	0	0	109.6
148	S	43.9	Very low	44.3	Very low	105 Å²	105	101.6 Å²	101.6	73%	0.734	72%	0.716	S	S	*	*			trans	59.3	148.2	147.4	50.5	0	0	0	0	121.3
149	S	43.9	Very low	44.2	Very low	101 Å²	101	101.6 Å²	101.6	71%	0.706	72%	0.716	S	S	*	*			cis	-171.8	163.9	-15.5	52.8	0	0	0	0	112.2
150	S	43.2	Very low	44	Very low	93 Å²	93	101.6 Å²	101.6	65%	0.65	72%	0.716	S	S	*	*			trans	63.2	128.6	138.4	61.8	0	0	0	0	123.7
151	S	43.6	Very low	43.7	Very low	106 Å²	106	101.3 Å²	101.3	74%	0.741	71%	0.714	S	S	*	*			trans	68.4	148.4	134.7	56.7	0	0	0	0	121.1
152	S	43.4	Very low	43.5	Very low	97 Å²	97	101.2 Å²	101.2	68%	0.678	71%	0.708	S	S	*	*			cis	-174.9	164.4	-14.8	51.3	0	0	0	0	110.5
153	S	43.6	Very low	43.2	Very low	106 Å²	106	101.4 Å²	101.4	74%	0.741	71%	0.709	S	S	*	*			trans	54	144.3	146.6	52.9	0	0	0	0	120.9
154	S	43.2	Very low	42.8	Very low	101 Å²	101	101.6 Å²	101.6	71%	0.706	72%	0.716	S	S	*	*			cis	-172.2	164.2	4.4	42.1	0	0	0	0	112.8
155	S	43.1	Very low	42.5	Very low	96 Å²	96	100.9 Å²	100.9	67%	0.671	72%	0.717	S	S	*	*			trans	63.8	129.5	139	62.4	0	0	0	0	123.7
156	S	43.6	Very low	42.2	Very low	106 Å²	106	101.1 Å²	101.1	74%	0.741	73%	0.725	S	S	*	*			trans	69.6	147.1	133.6	58	0	0	0	0	121.2
157	S	42.7	Very low	42	Very low	96 Å²	96	101.3 Å²	101.3	67%	0.671	73%	0.733	S	S	*	*			cis	-174.6	163.4	-15.6	51.3	0	0	0	0	110.6
158	S	41.8	Very low	41.9	Very low	104 Å²	104	101.5 Å²	101.5	73%	0.727	74%	0.741	S	S	*	*			trans	56.1	150.8	148.5	53.6	0	0	0	0	120.7
159	S	41.5	Very low	41.8	Very low	95 Å²	95	101.5 Å²	101.5	66%	0.664	75%	0.747	S	S	*	*			cis	-178	163.7	-17.1	52.6	0	0	0	0	108.6
160	S	40.3	Very low	41.8	Very low	107 Å²	107	101.2 Å²	101.2	75%	0.748	75%	0.751	S	S	*	*			trans	59.9	155.3	156	45.7	0	0	0	0	119.5
161	S	40.9	Very low	42.4	Very low	100 Å²	100	102.7 Å²	102.7	70%	0.699	76%	0.758	S	S	*	*			cis	-171.9	-175.6	-20.6	54.4	0	0	0	0	110
162	S	40.5	Very low	42.4	Very low	95 Å²	95	108.6 Å²	108.6	66%	0.664	76%	0.764	S	S	*	*			trans	67.4	93.8	147.8	44.2	0	0	0	0	122.2
163	S	40.4	Very low	42.4	Very low	112 Å²	112	108.3 Å²	108.3	78%	0.783	77%	0.768	S	S	*	*				66	130.7	111.1	69	0	0	0	0	125.2
164	A	39	Very low	42.2	Very low	99 Å²	99	107.4 Å²	107.4	82%	0.818	77%	0.767	S	S	*	*				102.9	146.2	127.7	0	0	0	0	0	123.4
165	A	38.7	Very low	42.1	Very low	96 Å²	96	107.1 Å²	107.1	79%	0.793	77%	0.771	S	S	*	*			trans	82.4	102	149.5	0	0	0	0	0	123.2
166	A	39.7	Very low	41.8	Very low	105 Å²	105	111.3 Å²	111.3	87%	0.868	78%	0.779	S	S	*	*				37.7	135.4	127.1	0	0	0	0	0	124
167	A	41	Very low	41.5	Very low	108 Å²	108	110.7 Å²	110.7	89%	0.893	78%	0.781	S	S	*	*				-173.4	156.6	118.3	0	0	0	0	0	114.3
168	A	42.6	Very low	41.3	Very low	103 Å²	103	111 Å²	111	85%	0.851	78%	0.783	S	S	*	*			trans	-77.6	163	-164.8	0	0	0	0	0	119.5
169	A	41.4	Very low	40.9	Very low	106 Å²	106	112.8 Å²	112.8	88%	0.876	78%	0.784	S	S	*	*			trans	-167	153.1	133.5	0	0	0	0	0	112.7
170	A	43.3	Very low	40.6	Very low	94 Å²	94	116.2 Å²	116.2	78%	0.777	80%	0.795	S	S	*	*			trans	-149.3	-167.3	-179.2	0	0	0	0	0	108.8
171	P	55.2	Low	40.2	Very low	124 Å²	124	115.9 Å²	115.9	81%	0.805	79%	0.788	S	S	*	*			cis	-120.1	-135	-6.4	25.5	2.2	0	0	0	110.7
172	R	44.1	Very low	39.7	Very low	230 Å²	230	116.1 Å²	116.1	87%	0.868	79%	0.785	S	S	*	*			cis	-168.4	149.2	7.4	-164.6	-165.7	170.9	-163.2	-3.5	112
173	A	43.5	Very low	39.3	Very low	91 Å²	91	119.5 Å²	119.5	75%	0.752	79%	0.79	S	S	*	*			trans	65.5	153.3	157.1	0	0	0	0	0	118.7
174	A	40.6	Very low	38.8	Very low	88 Å²	88	118.4 Å²	118.4	73%	0.727	78%	0.783	S	S	*	*			cis	-162.9	140.4	-20	0	0	0	0	0	106.5
175	A	40.8	Very low	38.3	Very low	95 Å²	95	123.3 Å²	123.3	79%	0.785	79%	0.786	S	S	*	*				54.2	134.8	82.8	0	0	0	0	0	113.2
176	E	36.3	Very low	37.8	Very low	183 Å²	183	123.5 Å²	123.5	86%	0.855	78%	0.78	S	S	*	*			cis	-137.4	158.8	19.9	-70	171.8	132.1	0	0	110.3
177	A	36.5	Very low	37.4	Very low	94 Å²	94	124.5 Å²	124.5	78%	0.777	78%	0.775	S	S	*	*				60.4	146.4	75.7	0	0	0	0	0	114.7
178	S	39.5	Very low	37	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	76%	0.764	S	S	*	*			cis	-165.9	160.1	-0.8	39.6	0	0	0	0	112.3
179	D	33.2	Very low	36.3	Very low	142 Å²	142	127.9 Å²	127.9	76%	0.759	76%	0.759	S	S	*	*			trans	22.5	145.4	147.2	-51.1	-43.4	0	0	0	124
180	L	35.1	Very low	35.7	Very low	168 Å²	168	133.8 Å²	133.8	88%	0.88	76%	0.759	S	S	*	*				170.6	165.2	129.6	-89.1	159.1	0	0	0	110.3
181	T	32.6	Very low	35.1	Very low	99 Å²	99	135.7 Å²	135.7	61%	0.607	76%	0.755	S	S	*	*				-173.5	106.9	-68.9	-88.2	0	0	0	0	109.6
182	T	30.6	Very low	33.9	Very low	105 Å²	105	137.2 Å²	137.2	64%	0.644	76%	0.755	S	S	*	*			trans	58	155.9	149.4	66	0	0	0	0	123.5
183	H	32.1	Very low	33.6	Very low	166 Å²	166	131.7 Å²	131.7	77%	0.769	75%	0.749	S	S	*	*			trans	74.9	153.9	153.9	-66.9	-52.8	0	0	0	120
184	S	28.4	Very low	33	Very low	89 Å²	89	132.2 Å²	132.2	62%	0.622	75%	0.748	S	S	*	*			cis	-179.5	149.5	-35.4	-99.9	0	0	0	0	110.4
185	K	29.1	Very low	32.4	Very low	203 Å²	203	135.3 Å²	135.3	88%	0.883	75%	0.752	S	S	*	*			trans	71.4	161	174.2	-51.1	171.6	-177.8	177.3	0	113.7
186	C	28	Very low	32.2	Very low	99 Å²	99	138.8 Å²	138.8	67%	0.669	76%	0.756	S	S	*	*			cis	-156.3	159.7	-1.2	-137.7	0	0	0	0	111.4
187	T	31.7	Very low	32.2	Very low	126 Å²	126	135.8 Å²	135.8	77%	0.773	75%	0.75	S	S	*	*			trans	60.1	153.2	154	45.7	0	0	0	0	119.3
188	D	31.9	Very low	32	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	74%	0.739	S	S	*	*			cis	-151.4	168.5	0.2	-147.1	-1	0	0	0	115.1
189	Q	29.1	Very low	31.7	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.743	75%	0.749	S	S	*	*			trans	27.5	105.7	154	-73.6	173.7	74.5	0	0	121.6
190	R	28.5	Very low	31.8	Very low	230 Å²	230	141.4 Å²	141.4	87%	0.868	75%	0.745	S	S	*	*				178.4	144.7	113	-103.7	-176.8	164.2	169.5	-3.1	116.6
191	L	30.6	Very low	31.7	Very low	133 Å²	133	140.2 Å²	140.2	70%	0.696	74%	0.737	S	S	*	*			trans	59.1	111.5	145.9	-63.3	170.1	0	0	0	122.3
192	L	30.5	Very low	31.9	Very low	156 Å²	156	140.3 Å²	140.3	82%	0.817	73%	0.734	S	S	*	*			trans	66.7	-176.2	144.6	-54.6	177.9	0	0	0	116.5
193	P	36.6	Very low	32.2	Very low	114 Å²	114	138.3 Å²	138.3	74%	0.74	72%	0.719	S	S	*	*				-116.8	-141.8	-68.3	38.7	-27.4	0	0	0	111.6
194	S	30.4	Very low	32.5	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	71%	0.705	S	S	*	*			trans	75.7	122	178.2	82.3	0	0	0	0	114.7
195	N	29.6	Very low	32.8	Very low	153 Å²	153	137.2 Å²	137.2	82%	0.818	71%	0.711	S	S	*	*				70.5	99.4	65.6	-73.2	-36.2	0	0	0	114.4
196	I	36.5	Very low	33.2	Very low	168 Å²	168	133.7 Å²	133.7	86%	0.862	70%	0.7	S	S	*	*				177.3	155.6	116.5	-90.7	156	0	0	0	112.1
197	T	35	Very low	33.2	Very low	119 Å²	119	132.8 Å²	132.8	73%	0.73	70%	0.695	S	S	*	*			trans	-96.1	-177.2	-179.5	55.6	0	0	0	0	112.4
198	P	32.2	Very low	33.2	Very low	83 Å²	83	133.9 Å²	133.9	54%	0.539	70%	0.696	S	S	.	*			cis	-135.2	124.6	-28.9	26.7	-5.4	0	0	0	112.7	Y200	P198-Y200 VanDerWaalsContact O-CD2 3.26Å; P198-Y200 WeakPolarHBondContact O-CD2 3.25Å; P198-Y200 WeakPolarHBondContact O-CE2 3.16Å; P198-Y200 PolarHBondContact O-N 3.4Å; P198-Y200 VanDerWaalsContact O-N 3.11Å
199	E	33.4	Very low	33.2	Very low	198 Å²	198	135.5 Å²	135.5	93%	0.925	70%	0.699	S	S	*	*			trans	-68.7	111.3	176.2	-57.7	-170.1	143.5	0	0	111.1
200	Y	36.5	Very low	33.3	Very low	174 Å²	174	136.1 Å²	136.1	68%	0.682	70%	0.7	S	S	*	*				84.9	125.3	55.7	-70.7	-57.6	0	0	0	112.1	P198	P198-Y200 VanDerWaalsContact O-CD2 3.26Å; P198-Y200 WeakPolarHBondContact O-CD2 3.25Å; P198-Y200 WeakPolarHBondContact O-CE2 3.16Å; P198-Y200 PolarHBondContact O-N 3.4Å; P198-Y200 VanDerWaalsContact O-N 3.11Å
201	M	31.8	Very low	33.4	Very low	143 Å²	143	131.8 Å²	131.8	70%	0.704	69%	0.694	S	S	*	*			trans	-77.7	143.1	164.9	-72.9	-177	168.5	0	0	107.9	L525	M201-L525 HydrophobicContact CE-CD2 4.34Å
202	N	36.6	Very low	33.5	Very low	101 Å²	101	132.1 Å²	132.1	54%	0.54	70%	0.697	S	S	.	*			trans	-119.1	118.7	162.5	-67.9	-31.7	0	0	0	106.8	L204 R689	N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 HydrophobicContact CB-CD2 4.03Å; N202-L204 PolarHBondContact O-N 2.84Å; N202-R689 CarbonylContact C-O 3.48Å; N202-R689 WeakPolarHBondContact CA-O 3.39Å
203	I	37.5	Very low	33.9	Very low	64 Å²	64	132.7 Å²	132.7	33%	0.328	70%	0.699	S	S	.	*			trans	-67.1	106.9	141.7	-65.3	-172	0	0	0	105.7	N205 I688 R689	I203-N205 PolarHBondContact O-N 3.19Å; I203-I688 HydrophobicContact CD1-CG2 3.67Å; I203-I688 WeakPolarHBondContact CD1-O 3.25Å; I203-I688 VanDerWaalsContact CG1-O 3.24Å; I203-I688 WeakPolarHBondContact CG1-O 3.48Å; I203-R689 PolarHBondContact N-O 2.97Å
204	L	38.5	Very low	34.5	Very low	93 Å²	93	133.3 Å²	133.3	49%	0.487	70%	0.695	S	S	.	*			trans	-61.8	111.5	175.4	-61.9	172.2	0	0	0	108.5	N202 I206 W520	N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 HydrophobicContact CB-CD2 4.03Å; N202-L204 PolarHBondContact O-N 2.84Å; L204-I206 HydrophobicContact CB-CD1 4.3Å; L204-I206 HydrophobicContact CB-CG1 3.51Å; L204-I206 HydrophobicContact CD1-CG1 4.34Å; L204-I206 PolarHBondContact O-N 2.77Å; L204-W520 HydrophobicContact CD1-CZ2 4.23Å
205	N	34.1	Very low	35.6	Very low	139 Å²	139	131.8 Å²	131.8	74%	0.743	68%	0.679	S	S	*	*			trans	-69.4	87.9	151.4	-174.4	67.6	0	0	0	106	I203 S207	I203-N205 PolarHBondContact O-N 3.19Å; N205-S207 VanDerWaalsContact C-N 3.33Å; N205-S207 PolarHBondContact O-N 3.32Å
206	I	37.6	Very low	37.2	Very low	129 Å²	129	130.2 Å²	130.2	66%	0.662	68%	0.677	S	S	*	*			trans	-73.2	90.1	-174.4	-56.1	175.1	0	0	0	108.8	L204	L204-I206 HydrophobicContact CB-CD1 4.3Å; L204-I206 HydrophobicContact CB-CG1 3.51Å; L204-I206 HydrophobicContact CD1-CG1 4.34Å; L204-I206 PolarHBondContact O-N 2.77Å
207	S	28.3	Very low	38.7	Very low	80 Å²	80	123.5 Å²	123.5	56%	0.559	65%	0.645	S	S	*	*			trans	-61.6	141.3	159.9	-69.6	0	0	0	0	110.1	N205	N205-S207 VanDerWaalsContact C-N 3.33Å; N205-S207 PolarHBondContact O-N 3.32Å
208	N	32.2	Very low	40.5	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	62%	0.623	S	S	*	*	S	Bend	trans	70.5	49.3	154.6	-49	3	0	0	0	117.8
209	H	32.9	Very low	42.8	Very low	157 Å²	157	117.6 Å²	117.6	73%	0.727	60%	0.603	S	S	*	*	S	Bend	trans	-143	1.2	153.8	-147.9	-56.9	0	0	0	115.1
210	F	29.7	Very low	44.9	Very low	172 Å²	172	113.2 Å²	113.2	75%	0.754	58%	0.579	S	S	*	*			trans	-140.1	94.7	169.3	-72.3	-77	0	0	0	108.9
211	D	31.6	Very low	46.5	Very low	140 Å²	140	106 Å²	106	75%	0.749	55%	0.551	S	S	*	*			trans	-64.5	148	164.5	-63.5	-60.4	0	0	0	109.8
212	N	32.6	Very low	48	Very low	139 Å²	139	100.5 Å²	100.5	74%	0.743	53%	0.525	S	S	*	.	S	Bend	trans	82.2	104.8	-176	-47.6	-78	0	0	0	116.6
213	I	39.2	Very low	48.8	Very low	168 Å²	168	97.3 Å²	97.3	86%	0.862	51%	0.506	S	S	*	.			trans	59.9	70.3	146.8	-39.8	173	0	0	0	115.8
214	L	48.3	Very low	49	Very low	128 Å²	128	98 Å²	98	67%	0.67	51%	0.509	S	S	*	.			trans	-110.4	121.4	158.9	-71.1	173.7	0	0	0	110.3	L218	L214-L218 HydrophobicContact CD2-CD1 4.2Å
215	D	54.8	Low	49.5	Very low	71 Å²	71	94.7 Å²	94.7	38%	0.38	49%	0.491	S	S	.	.			trans	-65.2	124.2	178.2	165.8	14.1	0	0	0	110.6	S217 L218	D215-S217 PolarHBondContact O-N 3.19Å; D215-S217 VanDerWaalsContact OD1-CB 3.25Å; D215-S217 WeakPolarHBondContact OD1-CB 2.93Å; D215-S217 PolarHBondContact OD1-N 2.73Å; D215-S217 PolarHBondContact OD1-OG 2.89Å; D215-S217 PolarHBondContact OD2-OG 2.81Å; D215-L218 HydrophobicContact CB-CD1 4.03Å; D215-L218 HydrophobicContact CB-CG 4.04Å; D215-L218 VanDerWaalsContact O-CB 3.25Å; D215-L218 WeakPolarHBondContact O-CB 3.37Å; D215-L218 VanDerWaalsContact O-CG 3.27Å; D215-L218 WeakPolarHBondContact O-CG 3.5Å; D215-L218 PolarHBondContact O-N 2.64Å
216	P	61.7	Low	50	Low	120 Å²	120	96.3 Å²	96.3	78%	0.779	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-3.3	179.9	28.8	-36.2	0	0	0	114.2	L218	P216-L218 VanDerWaalsContact C-N 3.3Å
217	S	67.7	Low	50.1	Low	26 Å²	26	96.8 Å²	96.8	18%	0.182	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.7	167.8	92.6	0	0	0	0	114	D215 F219 R659 I660	D215-S217 PolarHBondContact O-N 3.19Å; D215-S217 VanDerWaalsContact OD1-CB 3.25Å; D215-S217 WeakPolarHBondContact OD1-CB 2.93Å; D215-S217 PolarHBondContact OD1-N 2.73Å; D215-S217 PolarHBondContact OD1-OG 2.89Å; D215-S217 PolarHBondContact OD2-OG 2.81Å; S217-F219 WeakPolarHBondContact O-CD2 3.35Å; S217-F219 WeakPolarHBondContact O-CE2 3.36Å; S217-R659 VanDerWaalsContact O-CA 3.23Å; S217-R659 WeakPolarHBondContact O-CA 3.46Å; S217-R659 WeakPolarHBondContact O-CB 3.36Å; S217-I660 PolarHBondContact O-N 3.4Å
218	L	72.7	Confident	50.6	Low	52 Å²	52	94 Å²	94	27%	0.272	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.2	-177.5	-64.8	171.5	0	0	0	113.2	L214 D215 P216 V651 R659	L214-L218 HydrophobicContact CD2-CD1 4.2Å; D215-L218 HydrophobicContact CB-CD1 4.03Å; D215-L218 HydrophobicContact CB-CG 4.04Å; D215-L218 VanDerWaalsContact O-CB 3.25Å; D215-L218 WeakPolarHBondContact O-CB 3.37Å; D215-L218 VanDerWaalsContact O-CG 3.27Å; D215-L218 WeakPolarHBondContact O-CG 3.5Å; D215-L218 PolarHBondContact O-N 2.64Å; P216-L218 VanDerWaalsContact C-N 3.3Å; L218-V651 HydrophobicContact CD2-CB 4.22Å; L218-V651 HydrophobicContact CD2-CG1 4.16Å; L218-V651 HydrophobicContact CD2-CG2 3.76Å; L218-R659 HydrophobicContact CD2-CB 4.33Å
219	F	80.5	Confident	50.8	Low	26 Å²	26	92 Å²	92	11%	0.114	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.5	178.4	-65.9	-89	0	0	0	110.9	S217 L657 F658 I660 I688	S217-F219 WeakPolarHBondContact O-CD2 3.35Å; S217-F219 WeakPolarHBondContact O-CE2 3.36Å; F219-L657 WeakPolarHBondContact O-CA 3.4Å; F219-F658 HydrophobicContact CB-CD1 3.84Å; F219-F658 HydrophobicContact CB-CD2 4.32Å; F219-F658 HydrophobicContact CB-CE1 3.25Å; F219-F658 HydrophobicContact CB-CE2 3.82Å; F219-F658 HydrophobicContact CB-CG 4.34Å; F219-F658 HydrophobicContact CB-CZ 3.26Å; F219-F658 HydrophobicContact CD2-CE2 4.21Å; F219-F658 HydrophobicContact CD2-CZ 4.35Å; F219-F658 HydrophobicContact CG-CE1 4.35Å; F219-F658 HydrophobicContact CG-CE2 4.22Å; F219-F658 AromaticContact CG-CZ 3.89Å; F219-F658 HydrophobicContact CG-CZ 3.89Å; F219-F658 PolarHBondContact N-O 3.11Å; F219-F658 VanDerWaalsContact O-CD1 3.3Å; F219-F658 WeakPolarHBondContact O-CD1 3.37Å; F219-F658 PolarHBondContact O-N 3.35Å; F219-I660 HydrophobicContact CD2-CD1 4.01Å; F219-I660 HydrophobicContact CD2-CG1 3.95Å; F219-I660 HydrophobicContact CE2-CB 4.49Å; F219-I660 HydrophobicContact CE2-CD1 3.52Å; F219-I660 HydrophobicContact CE2-CG1 3.77Å; F219-I660 HydrophobicContact CZ-CD1 4.08Å; F219-I688 HydrophobicContact CD1-CG2 3.74Å; F219-I688 HydrophobicContact CE1-CG2 3.6Å
220	Y	77.7	Confident	50.9	Low	107 Å²	107	91.7 Å²	91.7	42%	0.42	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.6	-178.2	-168.6	-103	0	0	0	111.7	N222 T655 L657	Y220-N222 HydrophobicContact CD1-CB 4.1Å; Y220-N222 HydrophobicContact CE1-CB 3.6Å; Y220-T655 WeakPolarHBondContact CE2-O 3.41Å; Y220-T655 VanDerWaalsContact CZ-O 3.26Å; Y220-T655 PolarHBondContact OH-O 3.27Å; Y220-T655 VanDerWaalsContact OH-O 3.13Å; Y220-L657 HydrophobicContact CD2-CD2 3.83Å; Y220-L657 HydrophobicContact CD2-CG 4.07Å
221	M	70.8	Confident	51.4	Low	22 Å²	22	87.9 Å²	87.9	11%	0.108	44%	0.444	C	S	.	.			trans	-85.3	108.7	161	-77.6	-66.2	169.5	0	0	107.9	Y223 W633 I636 G656 F658	M221-Y223 VanDerWaalsContact C-N 3.29Å; M221-Y223 PolarHBondContact O-N 3.09Å; M221-W633 HydrophobicContact CE-CB 4.01Å; M221-W633 HydrophobicContact SD-CB 4.44Å; M221-I636 HydrophobicContact CE-CB 4.01Å; M221-I636 HydrophobicContact CE-CD1 4.34Å; M221-I636 HydrophobicContact CE-CG2 3.75Å; M221-G656 PolarHBondContact N-O 3.3Å; M221-G656 WeakPolarHBondContact O-CA 3.07Å; M221-F658 HydrophobicContact CB-CD1 4.42Å; M221-F658 HydrophobicContact CB-CE1 4.47Å; M221-F658 HydrophobicContact CE-CE1 3.96Å; M221-F658 HydrophobicContact CE-CZ 4.07Å; M221-F658 HydrophobicContact CG-CD1 3.82Å; M221-F658 HydrophobicContact CG-CE1 3.59Å
222	N	63.6	Low	51.5	Low	28 Å²	28	86.8 Å²	86.8	15%	0.15	44%	0.439	C	S	.	.			trans	-68.4	90.4	172.5	-170.8	0.5	0	0	0	110.6	Y220 W521	Y220-N222 HydrophobicContact CD1-CB 4.1Å; Y220-N222 HydrophobicContact CE1-CB 3.6Å; N222-W521 HydrophobicContact CB-CZ2 4.44Å; N222-W521 PolarHBondContact ND2-NE1 3.31Å
223	Y	53.2	Low	51.7	Low	34 Å²	34	86.6 Å²	86.6	13%	0.133	43%	0.433	C	S	.	.			trans	-115.6	118.6	175.5	-170.1	-73.8	0	0	0	108.6	M221 M225 F533 Y534	M221-Y223 VanDerWaalsContact C-N 3.29Å; M221-Y223 PolarHBondContact O-N 3.09Å; Y223-M225 HydrophobicContact CD1-CB 3.73Å; Y223-M225 HydrophobicContact CD1-CG 3.9Å; Y223-M225 HydrophobicContact CE1-CB 4.05Å; Y223-M225 HydrophobicContact CE1-CG 3.81Å; Y223-M225 PolarHBondContact O-N 2.83Å; Y223-F533 HydrophobicContact CE2-CD1 4.01Å; Y223-F533 AromaticContact CE2-CD2 3.88Å; Y223-F533 HydrophobicContact CE2-CD2 3.88Å; Y223-F533 AromaticContact CE2-CE1 3.94Å; Y223-F533 HydrophobicContact CE2-CE1 3.94Å; Y223-F533 AromaticContact CE2-CE2 3.76Å; Y223-F533 HydrophobicContact CE2-CE2 3.76Å; Y223-F533 AromaticContact CE2-CG 3.97Å; Y223-F533 HydrophobicContact CE2-CG 3.97Å; Y223-F533 AromaticContact CE2-CZ 3.79Å; Y223-F533 HydrophobicContact CE2-CZ 3.79Å; Y223-F533 AromaticContact CZ-CE1 3.82Å; Y223-F533 AromaticContact CZ-CZ 3.92Å; Y223-F533 WeakPolarHBondContact OH-CD1 3.45Å; Y223-F533 WeakPolarHBondContact OH-CE1 3.45Å; Y223-F533 WeakPolarHBondContact OH-CZ 3.39Å; Y223-Y534 WeakPolarHBondContact OH-CE2 3.4Å; Y223-Y534 VanDerWaalsContact OH-CZ 3.31Å; Y223-Y534 PolarHBondContact OH-OH 2.94Å
224	I	42.4	Very low	51.5	Low	79 Å²	79	87.7 Å²	87.7	41%	0.405	43%	0.428	S	S	.	.			trans	-73.9	79.4	176.2	-54.6	177	0	0	0	108.8
225	M	48.2	Very low	50.8	Low	22 Å²	22	87.5 Å²	87.5	11%	0.108	43%	0.427	C	S	.	.			trans	-82.2	-21.3	-180	-140.6	177.2	76.3	0	0	112.5	Y223 H227 N228 K653	Y223-M225 HydrophobicContact CD1-CB 3.73Å; Y223-M225 HydrophobicContact CD1-CG 3.9Å; Y223-M225 HydrophobicContact CE1-CB 4.05Å; Y223-M225 HydrophobicContact CE1-CG 3.81Å; Y223-M225 PolarHBondContact O-N 2.83Å; M225-H227 PolarHBondContact O-N 3.16Å; M225-N228 PolarHBondContact O-N 3.34Å; M225-K653 HydrophobicContact CE-CB 4.39Å; M225-K653 HydrophobicContact CE-CD 3.89Å; M225-K653 HydrophobicContact CE-CG 3.98Å; M225-K653 HydrophobicContact SD-CD 3.9Å; M225-K653 WeakPolarHBondContact SD-CE 3.26Å; M225-K653 HydrophobicContact SD-CG 3.76Å; M225-K653 VanDerWaalsContact SD-O 3.4Å
226	K	43.7	Very low	50	Low	173 Å²	173	90.7 Å²	90.7	75%	0.752	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	6	178.5	-70.5	-169.9	173.6	-174.8	0	117
227	H	40.6	Very low	48.8	Very low	140 Å²	140	91.7 Å²	91.7	65%	0.648	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	3.3	-178.8	-80.5	-52.6	0	0	0	115.8	M225 I231	M225-H227 PolarHBondContact O-N 3.16Å; H227-I231 WeakPolarHBondContact O-CD1 3.37Å
228	N	37.6	Very low	47.3	Very low	22 Å²	22	97.3 Å²	97.3	12%	0.118	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-14.6	-172.7	-62.1	-81.2	0	0	0	115.9	M225 H230 I231 Y534	M225-N228 PolarHBondContact O-N 3.34Å; N228-H230 PolarHBondContact O-N 3.3Å; N228-I231 PolarHBondContact O-N 2.89Å; N228-Y534 VanDerWaalsContact CG-OH 3.29Å; N228-Y534 PolarHBondContact ND2-OH 3.44Å; N228-Y534 PolarHBondContact OD1-OH 3.21Å
229	D	37.6	Very low	45.4	Very low	106 Å²	106	102.6 Å²	102.6	57%	0.567	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-29.3	-177.6	-62.7	-42.9	0	0	0	112.7
230	H	35	Very low	43	Very low	150 Å²	150	108.2 Å²	108.2	69%	0.694	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.8	170.9	-93	-44.5	0	0	0	115.2	N228 E233	N228-H230 PolarHBondContact O-N 3.3Å; H230-E233 IonicContact ND1-OE2 2.78Å
231	I	39.1	Very low	40.8	Very low	92 Å²	92	113 Å²	113	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-80.4	-26	-176.4	-64.1	-177	0	0	0	111.5	H227 N228 E233 N235	H227-I231 WeakPolarHBondContact O-CD1 3.37Å; N228-I231 PolarHBondContact O-N 2.89Å; I231-E233 VanDerWaalsContact C-N 3.29Å; I231-E233 PolarHBondContact O-N 3.49Å; I231-N235 PolarHBondContact O-ND2 3.41Å
232	N	35.4	Very low	38.9	Very low	118 Å²	118	114.8 Å²	114.8	63%	0.631	57%	0.569	S	S	*	*	H	α-helix	trans	-73.7	-18.3	177.8	-69.8	-37.3	0	0	0	113.7
233	E	35.4	Very low	37.2	Very low	135 Å²	135	119.9 Å²	119.9	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-84.1	-29.3	179	-160.4	161.1	-140.2	0	0	112.2	H230 I231 N235	H230-E233 IonicContact ND1-OE2 2.78Å; I231-E233 VanDerWaalsContact C-N 3.29Å; I231-E233 PolarHBondContact O-N 3.49Å; E233-N235 PolarHBondContact O-N 3.44Å
234	Y	34.6	Very low	36.2	Very low	191 Å²	191	128.4 Å²	128.4	75%	0.749	63%	0.63	S	S	*	*	H	α-helix	trans	-78.2	-13.4	-179.8	-102.3	-89.2	0	0	0	115.3	N236	Y234-N236 VanDerWaalsContact C-N 3.35Å; Y234-N236 PolarHBondContact O-N 2.88Å
235	N	35.3	Very low	35.5	Very low	124 Å²	124	131 Å²	131	66%	0.663	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-7.8	-178.1	-79.7	-42.7	0	0	0	114.7	I231 E233	I231-N235 PolarHBondContact O-ND2 3.41Å; E233-N235 PolarHBondContact O-N 3.44Å
236	N	37.4	Very low	34.9	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-11.9	-179.1	-85.1	-29.5	0	0	0	115	Y234	Y234-N236 VanDerWaalsContact C-N 3.35Å; Y234-N236 PolarHBondContact O-N 2.88Å
237	N	37.1	Very low	34.4	Very low	141 Å²	141	135.5 Å²	135.5	75%	0.754	68%	0.681	S	S	*	*	S	Bend	trans	-114.9	8	-166.1	-78.5	-28.5	0	0	0	116.2
238	N	35.7	Very low	34.1	Very low	144 Å²	144	136.5 Å²	136.5	77%	0.77	69%	0.686	S	S	*	*			trans	-127.8	83.4	176.3	-82.3	-67.6	0	0	0	112.7
239	N	31.7	Very low	33.9	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	72%	0.72	S	S	*	*			trans	-62.5	136.4	157.9	-81.9	-70.6	0	0	0	110.2
240	H	31	Very low	33.7	Very low	144 Å²	144	148.6 Å²	148.6	67%	0.667	73%	0.733	S	S	*	*				143	132.1	126.5	-153.4	29.8	0	0	0	113
241	Y	31.5	Very low	33.7	Very low	206 Å²	206	146.6 Å²	146.6	81%	0.808	73%	0.731	S	S	*	*			trans	65.5	124.5	-178.7	-57.1	-77.2	0	0	0	117.7
242	G	30.4	Very low	33.3	Very low	60 Å²	60	146.4 Å²	146.4	62%	0.619	74%	0.739	S	S	*	*			trans	175.7	-37.6	172.1	0	0	0	0	0	117.8	Y244	G242-Y244 WeakPolarHBondContact O-CD2 3.47Å
243	N	28.4	Very low	33.2	Very low	135 Å²	135	148 Å²	148	72%	0.722	75%	0.747	S	S	*	*			trans	45.6	72.7	172.3	-168.2	20.1	0	0	0	117.3
244	Y	31.5	Very low	33.1	Very low	214 Å²	214	151.6 Å²	151.6	84%	0.839	76%	0.756	S	S	*	*			trans	-126.2	61.1	167.2	-78.7	-78	0	0	0	112	G242 T246	G242-Y244 WeakPolarHBondContact O-CD2 3.47Å; Y244-T246 VanDerWaalsContact C-N 3.34Å; Y244-T246 PolarHBondContact O-N 3.28Å
245	N	28.3	Very low	32.8	Very low	133 Å²	133	149.7 Å²	149.7	71%	0.711	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	76.7	-177.5	-71.6	-20.5	0	0	0	113.3
246	T	35.5	Very low	32.4	Very low	133 Å²	133	151.2 Å²	151.2	82%	0.816	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.6	-14.3	167.1	-21.3	0	0	0	0	116.6	Y244	Y244-T246 VanDerWaalsContact C-N 3.34Å; Y244-T246 PolarHBondContact O-N 3.28Å
247	L	34.2	Very low	31.9	Very low	156 Å²	156	153 Å²	153	82%	0.817	77%	0.771	S	S	*	*	S	Bend	trans	-115.5	0.3	-169.6	-139.9	72.7	0	0	0	116.6	K249	L247-K249 PolarHBondContact O-N 3.05Å
248	E	33.4	Very low	31.7	Very low	161 Å²	161	157.3 Å²	157.3	75%	0.752	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	26.3	-177.3	-73.4	-176.2	137	0	0	114.9
249	K	33.7	Very low	31.4	Very low	189 Å²	189	157 Å²	157	82%	0.822	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	13.2	-177.4	-72.7	-164.1	173.2	-172.5	0	116.1	L247	L247-K249 PolarHBondContact O-N 3.05Å
250	F	33.2	Very low	31.1	Very low	193 Å²	193	157.8 Å²	157.8	85%	0.846	78%	0.779	S	S	*	*	S	Bend	trans	-128.5	-4.6	179.1	-78.8	-75.5	0	0	0	115.4
251	T	35.4	Very low	30.9	Very low	108 Å²	108	155 Å²	155	66%	0.663	78%	0.776	S	S	*	*	S	Bend	trans	-98.7	-22.7	-177.2	41.4	0	0	0	0	114.3
252	S	30.7	Very low	30.8	Very low	89 Å²	89	150 Å²	150	62%	0.622	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-6.4	-171.8	-47.6	0	0	0	0	115.8
253	N	33.2	Very low	31	Very low	150 Å²	150	156.9 Å²	156.9	80%	0.802	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	18.5	-173.7	-75.3	16.7	0	0	0	114.3
254	Y	32.7	Very low	30.9	Very low	211 Å²	211	159.2 Å²	159.2	83%	0.827	80%	0.796	S	S	*	*	S	Bend	trans	-121.5	17.3	174.5	-92.7	-72.9	0	0	0	113.5
255	L	28.8	Very low	31	Very low	152 Å²	152	158.3 Å²	158.3	80%	0.796	80%	0.796	S	S	*	*	S	Bend	trans	-116.8	67.6	170.3	-70	178.8	0	0	0	110.4
256	N	26.6	Very low	31.1	Very low	156 Å²	156	158.6 Å²	158.6	83%	0.834	80%	0.797	S	S	*	*	S	Bend	trans	-164.5	160.8	157.9	-96.8	-36.1	0	0	0	108.5
257	E	27.7	Very low	31	Very low	176 Å²	176	159.3 Å²	159.3	82%	0.822	80%	0.795	S	S	*	*			trans	60	92.6	177.9	-56.7	-175.8	138.7	0	0	115.5
258	Y	31.2	Very low	31.1	Very low	231 Å²	231	156.8 Å²	156.8	91%	0.906	79%	0.788	S	S	*	*				-167.9	88.9	117.1	-97.2	-62.2	0	0	0	110.9
259	D	29.5	Very low	30.9	Very low	138 Å²	138	153.7 Å²	153.7	74%	0.738	78%	0.783	S	S	*	*			trans	14.4	113.3	160.3	-154	-7.5	0	0	0	120.2	S261	D259-S261 PolarHBondContact O-N 2.8Å; D259-S261 WeakPolarHBondContact OD1-CB 3.36Å; D259-S261 PolarHBondContact OD1-N 2.89Å
260	L	26.6	Very low	31.2	Very low	178 Å²	178	152.4 Å²	152.4	93%	0.932	78%	0.778	S	S	*	*			trans	-84.2	73.1	163.6	-86.2	78.6	0	0	0	110.5
261	S	26	Very low	31.3	Very low	85 Å²	85	149 Å²	149	59%	0.594	77%	0.768	S	S	*	*			trans	-152.6	141.4	170.2	-165.3	0	0	0	0	113.7	D259	D259-S261 PolarHBondContact O-N 2.8Å; D259-S261 WeakPolarHBondContact OD1-CB 3.36Å; D259-S261 PolarHBondContact OD1-N 2.89Å
262	S	30.8	Very low	31.4	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	77%	0.767	S	S	*	*	S	Bend	trans	79.9	71.9	170.4	-53.3	0	0	0	0	119.6
263	Q	33.1	Very low	31.5	Very low	205 Å²	205	151.5 Å²	151.5	96%	0.958	77%	0.77	S	S	*	*				-166.9	73.5	122.5	-106.1	160.2	106.8	0	0	112.8
264	M	26.5	Very low	31.7	Very low	184 Å²	184	152.9 Å²	152.9	91%	0.906	77%	0.772	S	S	*	*			trans	-131.3	91.5	171	-171	179.6	-173.7	0	0	110.2
265	K	34.6	Very low	31.5	Very low	194 Å²	194	150.1 Å²	150.1	84%	0.843	77%	0.769	S	S	*	*			trans	-143.9	114.2	168.3	-92.2	168.8	179.9	174.2	0	107.4
266	L	30.1	Very low	31.5	Very low	140 Å²	140	149 Å²	149	73%	0.733	76%	0.764	S	S	*	*				74.6	122.5	73	-76.1	170.7	0	0	0	110.1
267	L	32.6	Very low	31.9	Very low	148 Å²	148	149.7 Å²	149.7	78%	0.775	76%	0.762	S	S	*	*			cis	-154.3	-167.4	32.6	-87.5	130.1	0	0	0	111.4
268	P	36	Very low	31.8	Very low	102 Å²	102	148.7 Å²	148.7	66%	0.662	76%	0.761	S	S	*	*				-142.5	-146.5	-88.2	44	-20.4	0	0	0	113.6
269	C	30.4	Very low	31.7	Very low	96 Å²	96	142.2 Å²	142.2	65%	0.649	75%	0.75	S	S	*	*			trans	85	141.1	166.8	-59.9	0	0	0	0	117.4
270	K	38.8	Very low	31.6	Very low	163 Å²	163	143 Å²	143	71%	0.709	75%	0.752	S	S	*	*			cis	-162.9	149.7	-6.4	-114.1	170.1	-174.5	171.3	0	111.2
271	D	36.2	Very low	31.9	Very low	121 Å²	121	142.1 Å²	142.1	65%	0.647	75%	0.747	S	S	*	*			trans	59.3	142.1	139.6	-57.2	-6.3	0	0	0	120.4
272	N	37.4	Very low	31.9	Very low	119 Å²	119	144.7 Å²	144.7	64%	0.636	75%	0.754	S	S	*	*			cis	-164.3	143.7	-0.4	-112.6	-30.6	0	0	0	111.8
273	N	32	Very low	31.9	Very low	130 Å²	130	145.6 Å²	145.6	70%	0.695	75%	0.751	S	S	*	*			trans	42.4	147.1	146.8	-51.6	-43.1	0	0	0	121.3
274	Q	37.9	Very low	31.8	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	75%	0.749	S	S	*	*			cis	-145.9	144.5	38.3	-62.5	171.5	15.6	0	0	109.5
275	M	28.1	Very low	32.1	Very low	154 Å²	154	146.2 Å²	146.2	76%	0.759	74%	0.744	S	S	*	*				52	125.2	69.7	-72.1	-73	-147.6	0	0	112.7
276	N	29.9	Very low	32.3	Very low	128 Å²	128	139.2 Å²	139.2	68%	0.684	72%	0.719	S	S	*	*			cis	-144.6	170	0.5	-77.4	-74.6	0	0	0	107.2
277	Q	35.5	Very low	32.5	Very low	171 Å²	171	139.9 Å²	139.9	80%	0.799	72%	0.723	S	S	*	*			cis	-157.9	151.3	44.6	-76	-175.5	89	0	0	108
278	L	25.6	Very low	32.9	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	71%	0.713	S	S	*	*				43.9	129.5	81	-55.7	172.7	0	0	0	113.1
279	S	27.4	Very low	33.2	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	70%	0.704	S	S	*	*			cis	-164.3	153.4	14.1	52.5	0	0	0	0	113.6
280	I	27.7	Very low	33.7	Very low	154 Å²	154	137.9 Å²	137.9	79%	0.79	70%	0.699	S	S	*	*			trans	34.7	115.2	140.1	-45.8	160.1	0	0	0	118.5
281	I	32.6	Very low	34	Very low	161 Å²	161	136.7 Å²	136.7	83%	0.826	70%	0.696	S	S	*	*				-174.5	151.1	125.5	-98.3	159.1	0	0	0	109.3
282	N	27.8	Very low	34.7	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	69%	0.691	S	S	*	*			trans	-79.8	163.1	175.1	-72.3	-21.9	0	0	0	111.9
283	D	30.5	Very low	34.9	Very low	121 Å²	121	137.4 Å²	137.4	65%	0.647	69%	0.69	S	S	*	*				152	103.5	127.3	-74.2	-13.6	0	0	0	109	Y285	D283-Y285 HydrophobicContact CB-CD2 4.15Å; D283-Y285 PolarHBondContact O-N 3.01Å
284	Q	31	Very low	35.6	Very low	197 Å²	197	136.1 Å²	136.1	92%	0.921	68%	0.682	S	S	*	*				55.6	17.9	83	-69.3	-141.1	-27.1	0	0	116.5
285	Y	32.6	Very low	35.9	Very low	206 Å²	206	133.9 Å²	133.9	81%	0.808	67%	0.671	S	S	*	*			trans	-114.1	102.4	167.9	-80.3	-78.5	0	0	0	114.9	D283	D283-Y285 HydrophobicContact CB-CD2 4.15Å; D283-Y285 PolarHBondContact O-N 3.01Å
286	S	38.2	Very low	36.8	Very low	46 Å²	46	129.8 Å²	129.8	32%	0.322	66%	0.658	S	S	.	*			trans	52.3	87.4	146.8	-146	0	0	0	0	120.1	I288 D289	S286-I288 PolarHBondContact O-N 2.99Å; S286-I288 PolarHBondContact OG-N 2.61Å; S286-D289 WeakPolarHBondContact CB-OD2 3.12Å; S286-D289 PolarHBondContact OG-N 3.02Å; S286-D289 VanDerWaalsContact OG-N 3.12Å; S286-D289 PolarHBondContact OG-OD2 3.36Å
287	L	34.9	Very low	37.6	Very low	154 Å²	154	128.1 Å²	128.1	81%	0.806	65%	0.653	S	S	*	*	S	Bend	trans	-67.1	-19.3	151.5	-166.4	67.7	0	0	0	112
288	I	41.5	Very low	37.9	Very low	111 Å²	111	124.1 Å²	124.1	57%	0.569	64%	0.637	S	S	*	*	H	α-helix	trans	-79.6	-26.1	-169.5	-64.8	167.1	0	0	0	112.6	S286	S286-I288 PolarHBondContact O-N 2.99Å; S286-I288 PolarHBondContact OG-N 2.61Å
289	D	40.3	Very low	39	Very low	89 Å²	89	121.4 Å²	121.4	48%	0.476	62%	0.622	S	S	.	*	H	α-helix	trans	-84.4	-19.4	179.6	-65.7	-48.9	0	0	0	113.3	S286 Q293	S286-D289 WeakPolarHBondContact CB-OD2 3.12Å; S286-D289 PolarHBondContact OG-N 3.02Å; S286-D289 VanDerWaalsContact OG-N 3.12Å; S286-D289 PolarHBondContact OG-OD2 3.36Å; D289-Q293 WeakPolarHBondContact O-CG 3.2Å; D289-Q293 PolarHBondContact O-N 2.98Å
290	L	42.1	Very low	39.7	Very low	104 Å²	104	122.2 Å²	122.2	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-73.8	-43.2	173.6	-95.2	165.9	0	0	0	112.1	K292 Q293 I294	L290-K292 VanDerWaalsContact C-N 3.27Å; L290-K292 PolarHBondContact O-N 2.82Å; L290-Q293 PolarHBondContact O-N 3.17Å; L290-Q293 VanDerWaalsContact O-N 3.13Å; L290-I294 PolarHBondContact O-N 2.94Å
291	E	43.8	Very low	40.8	Very low	138 Å²	138	122.3 Å²	122.3	65%	0.645	61%	0.609	S	S	*	*	H	α-helix	trans	-59.7	-40.7	177.4	-159.9	163.1	-141.1	0	0	110.7	I294 E295	E291-I294 PolarHBondContact O-N 3.49Å; E291-E295 PolarHBondContact O-N 3.48Å
292	K	51.6	Low	41	Very low	125 Å²	125	120.2 Å²	120.2	54%	0.543	60%	0.598	S	S	.	*	H	α-helix	trans	-69	-29.8	173.8	-76.6	-178.7	176.7	174.9	0	115.5	L290 S296	L290-K292 VanDerWaalsContact C-N 3.27Å; L290-K292 PolarHBondContact O-N 2.82Å; K292-S296 VanDerWaalsContact O-CB 3.28Å; K292-S296 WeakPolarHBondContact O-CB 3.44Å; K292-S296 PolarHBondContact O-N 3.43Å
293	Q	40.9	Very low	41.6	Very low	130 Å²	130	120 Å²	120	61%	0.607	60%	0.596	S	S	*	*	H	α-helix	trans	-70.1	-38.2	175.6	-79.6	-178.5	11.9	0	0	110.9	D289 L290 S296 T297	D289-Q293 WeakPolarHBondContact O-CG 3.2Å; D289-Q293 PolarHBondContact O-N 2.98Å; L290-Q293 PolarHBondContact O-N 3.17Å; L290-Q293 VanDerWaalsContact O-N 3.13Å; Q293-S296 PolarHBondContact O-N 2.83Å; Q293-T297 PolarHBondContact O-N 3.28Å; Q293-T297 VanDerWaalsContact O-N 3.1Å; Q293-T297 PolarHBondContact O-OG1 2.96Å
294	I	47.8	Very low	42.3	Very low	104 Å²	104	119.7 Å²	119.7	53%	0.533	60%	0.599	S	S	.	*	H	α-helix	trans	-65.5	-49.7	175.2	-63	167.2	0	0	0	110.3	L290 E291 S296 T297 D298	L290-I294 PolarHBondContact O-N 2.94Å; E291-I294 PolarHBondContact O-N 3.49Å; I294-S296 PolarHBondContact O-N 2.68Å; I294-T297 PolarHBondContact O-N 3.22Å; I294-T297 PolarHBondContact O-OG1 2.78Å; I294-D298 PolarHBondContact O-N 3.06Å
295	E	43.9	Very low	42.8	Very low	131 Å²	131	115.7 Å²	115.7	61%	0.612	58%	0.584	S	S	*	*	H	α-helix	trans	-60.7	-27.8	175	-72.8	-170.9	139.2	0	0	113.5	E291 I299	E291-E295 PolarHBondContact O-N 3.48Å; E295-I299 WeakPolarHBondContact O-CD1 3.29Å; E295-I299 WeakPolarHBondContact O-CG1 3.18Å
296	S	47.9	Very low	43.1	Very low	68 Å²	68	112.1 Å²	112.1	48%	0.476	58%	0.578	S	S	.	*	H	α-helix	trans	-77.1	-38.5	177.6	-168.9	0	0	0	0	112.7	K292 Q293 I294 D298	K292-S296 VanDerWaalsContact O-CB 3.28Å; K292-S296 WeakPolarHBondContact O-CB 3.44Å; K292-S296 PolarHBondContact O-N 3.43Å; Q293-S296 PolarHBondContact O-N 2.83Å; I294-S296 PolarHBondContact O-N 2.68Å; S296-D298 VanDerWaalsContact C-N 3.33Å; S296-D298 PolarHBondContact O-N 2.87Å
297	T	46.5	Very low	43.5	Very low	93 Å²	93	115.6 Å²	115.6	57%	0.571	59%	0.592	S	S	*	*	H	α-helix	trans	-72	-26.6	-178.4	44.3	0	0	0	0	113.3	Q293 I294 I299	Q293-T297 PolarHBondContact O-N 3.28Å; Q293-T297 VanDerWaalsContact O-N 3.1Å; Q293-T297 PolarHBondContact O-OG1 2.96Å; I294-T297 PolarHBondContact O-N 3.22Å; I294-T297 PolarHBondContact O-OG1 2.78Å; T297-I299 VanDerWaalsContact C-N 3.26Å; T297-I299 PolarHBondContact O-N 2.78Å
298	D	42.4	Very low	43.8	Very low	88 Å²	88	112.8 Å²	112.8	47%	0.471	58%	0.582	S	S	.	*	H	α-helix	trans	-80	-0.6	179.8	-90	-35.7	0	0	0	114.8	I294 S296 W301	I294-D298 PolarHBondContact O-N 3.06Å; S296-D298 VanDerWaalsContact C-N 3.33Å; S296-D298 PolarHBondContact O-N 2.87Å; D298-W301 PolarHBondContact OD1-NE1 3.05Å
299	I	46.9	Very low	43.8	Very low	97 Å²	97	115 Å²	115	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-98.3	-45.9	177.6	-64.1	171.7	0	0	0	110.9	E295 T297 W301 M302 D303	E295-I299 WeakPolarHBondContact O-CD1 3.29Å; E295-I299 WeakPolarHBondContact O-CG1 3.18Å; T297-I299 VanDerWaalsContact C-N 3.26Å; T297-I299 PolarHBondContact O-N 2.78Å; I299-W301 VanDerWaalsContact C-N 3.3Å; I299-W301 PolarHBondContact O-N 3.18Å; I299-M302 PolarHBondContact O-N 3.09Å; I299-D303 PolarHBondContact O-N 2.82Å
300	D	42.3	Very low	43.9	Very low	111 Å²	111	115.4 Å²	115.4	59%	0.594	60%	0.596	S	S	*	*	H	α-helix	trans	-61.6	-31.5	-173.6	-71.3	-17.2	0	0	0	113.8	M302 T304	D300-M302 VanDerWaalsContact C-N 3.33Å; D300-T304 PolarHBondContact O-OG1 2.9Å; D300-T304 VanDerWaalsContact O-OG1 3.04Å
301	W	51.3	Low	44.2	Very low	156 Å²	156	116.3 Å²	116.3	59%	0.591	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-20	178.3	73.2	-92.9	0	0	0	113.8	D298 I299	D298-W301 PolarHBondContact OD1-NE1 3.05Å; I299-W301 VanDerWaalsContact C-N 3.3Å; I299-W301 PolarHBondContact O-N 3.18Å
302	M	35.7	Very low	44.5	Very low	118 Å²	118	114.9 Å²	114.9	58%	0.581	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-33.4	-174.7	-167.3	155.4	46.9	0	0	112.4	I299 D300 T304 L305	I299-M302 PolarHBondContact O-N 3.09Å; D300-M302 VanDerWaalsContact C-N 3.33Å; M302-T304 PolarHBondContact O-N 3.07Å; M302-L305 PolarHBondContact O-N 3.42Å
303	D	41.3	Very low	44.5	Very low	133 Å²	133	113.2 Å²	113.2	71%	0.711	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-10.3	171.8	-84.1	1.9	0	0	0	113.3	I299 L305	I299-D303 PolarHBondContact O-N 2.82Å; D303-L305 VanDerWaalsContact C-N 3.31Å; D303-L305 PolarHBondContact O-N 3.48Å
304	T	46.4	Very low	45.2	Very low	114 Å²	114	110 Å²	110	70%	0.699	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-5.2	179.1	-56.5	0	0	0	0	113.1	D300 M302	D300-T304 PolarHBondContact O-OG1 2.9Å; D300-T304 VanDerWaalsContact O-OG1 3.04Å; M302-T304 PolarHBondContact O-N 3.07Å
305	L	40.6	Very low	45.5	Very low	114 Å²	114	108.3 Å²	108.3	60%	0.597	58%	0.576	S	S	*	*			trans	-106.6	43.6	-178.1	-66	176.7	0	0	0	113.5	M302 D303 I307	M302-L305 PolarHBondContact O-N 3.42Å; D303-L305 VanDerWaalsContact C-N 3.31Å; D303-L305 PolarHBondContact O-N 3.48Å; L305-I307 PolarHBondContact O-N 3.24Å
306	D	39.6	Very low	46.2	Very low	130 Å²	130	106.5 Å²	106.5	70%	0.695	57%	0.574	S	S	*	*			trans	-74.7	72	178	-155.5	21	0	0	0	111.8	T308	D306-T308 PolarHBondContact O-N 3.42Å; D306-T308 VanDerWaalsContact OD1-CG2 3.22Å; D306-T308 WeakPolarHBondContact OD1-CG2 3.41Å
307	I	45.2	Very low	46.8	Very low	119 Å²	119	109.3 Å²	109.3	61%	0.61	58%	0.58	S	S	*	*			trans	-80.4	66.7	-175	-62.1	169.5	0	0	0	110	L305 L310	L305-I307 PolarHBondContact O-N 3.24Å; I307-L310 HydrophobicContact CG2-CB 4.29Å; I307-L310 HydrophobicContact CG2-CD1 3.65Å; I307-L310 HydrophobicContact CG2-CG 4.26Å
308	T	41.3	Very low	47.1	Very low	96 Å²	96	109.2 Å²	109.2	59%	0.589	58%	0.575	S	S	*	*			trans	-105	12	-177.4	69.6	0	0	0	0	114.1	D306	D306-T308 PolarHBondContact O-N 3.42Å; D306-T308 VanDerWaalsContact OD1-CG2 3.22Å; D306-T308 WeakPolarHBondContact OD1-CG2 3.41Å
309	N	42.7	Very low	47.4	Very low	156 Å²	156	111.6 Å²	111.6	83%	0.834	58%	0.582	S	S	*	*			trans	-131.7	7.1	-175.5	-77.6	-55.8	0	0	0	114.8
310	L	41.9	Very low	47.8	Very low	99 Å²	99	110 Å²	110	52%	0.518	58%	0.579	S	S	.	*			trans	-76.1	128.7	170.1	-91.9	168.2	0	0	0	109.5	I307 D314	I307-L310 HydrophobicContact CG2-CB 4.29Å; I307-L310 HydrophobicContact CG2-CD1 3.65Å; I307-L310 HydrophobicContact CG2-CG 4.26Å; L310-D314 HydrophobicContact CD2-CB 3.53Å; L310-D314 WeakPolarHBondContact CD2-OD2 3.5Å
311	H	49	Very low	48.5	Very low	122 Å²	122	108.5 Å²	108.5	57%	0.565	57%	0.574	S	S	*	*			trans	-78.2	162.7	-175.2	-151.4	-109.3	0	0	0	109.9	D313 D314	H311-D313 IonicContact CE1-OD2 2.81Å; H311-D313 IonicContact CG-OD2 2.61Å; H311-D313 IonicContact ND1-OD2 2.64Å; H311-D313 PolarHBondContact ND1-OD2 2.93Å; H311-D313 PolarHBondContact O-N 2.92Å; H311-D314 PolarHBondContact N-OD2 2.76Å; H311-D314 PolarHBondContact O-N 3.22Å
312	T	50	Low	48.5	Very low	109 Å²	109	105 Å²	105	67%	0.669	57%	0.57	S	S	*	*	H	α-helix	trans	-60.2	-23.9	-176.2	41.1	0	0	0	0	113.6
313	D	52.1	Low	49.2	Very low	90 Å²	90	104.4 Å²	104.4	48%	0.481	57%	0.569	S	S	.	*	H	α-helix	trans	-76.1	-38.1	-178	-46.8	-69.6	0	0	0	111.9	H311 V315 T316 Q317	H311-D313 IonicContact CE1-OD2 2.81Å; H311-D313 IonicContact CG-OD2 2.61Å; H311-D313 IonicContact ND1-OD2 2.64Å; H311-D313 PolarHBondContact ND1-OD2 2.93Å; H311-D313 PolarHBondContact O-N 2.92Å; D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 PolarHBondContact O-N 2.72Å; D313-T316 WeakPolarHBondContact O-CB 3.29Å; D313-T316 PolarHBondContact O-N 3.2Å; D313-T316 PolarHBondContact O-OG1 3.23Å; D313-Q317 PolarHBondContact O-N 3.4Å
314	D	54	Low	49.7	Very low	61 Å²	61	101.7 Å²	101.7	33%	0.326	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-38.5	-177.7	-55.9	-53.5	0	0	0	111.8	L310 H311 T316 Q317 I318	L310-D314 HydrophobicContact CD2-CB 3.53Å; L310-D314 WeakPolarHBondContact CD2-OD2 3.5Å; H311-D314 PolarHBondContact N-OD2 2.76Å; H311-D314 PolarHBondContact O-N 3.22Å; D314-T316 PolarHBondContact O-N 2.89Å; D314-Q317 PolarHBondContact O-N 3.26Å; D314-Q317 VanDerWaalsContact O-N 3.15Å; D314-I318 PolarHBondContact O-N 2.85Å
315	V	54.5	Low	49.5	Very low	69 Å²	69	101.6 Å²	101.6	42%	0.418	56%	0.555	S	S	.	*	H	α-helix	trans	-59.3	-34.9	175.6	-178.5	0	0	0	0	111.1	D313 I318 F319	D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 PolarHBondContact O-N 2.72Å; V315-I318 PolarHBondContact O-N 3.47Å; V315-F319 HydrophobicContact CG1-CD2 3.94Å; V315-F319 HydrophobicContact CG1-CE2 3.99Å; V315-F319 WeakPolarHBondContact O-CD2 3.32Å; V315-F319 PolarHBondContact O-N 3.08Å; V315-F319 VanDerWaalsContact O-N 3.14Å
316	T	58.9	Low	49.8	Very low	93 Å²	93	102.8 Å²	102.8	57%	0.571	56%	0.555	S	S	*	*	H	α-helix	trans	-71.7	-31.9	178.7	72.5	0	0	0	0	113	D313 D314 F319 S320	D313-T316 WeakPolarHBondContact O-CB 3.29Å; D313-T316 PolarHBondContact O-N 3.2Å; D313-T316 PolarHBondContact O-OG1 3.23Å; D314-T316 PolarHBondContact O-N 2.89Å; T316-F319 PolarHBondContact O-N 3.48Å; T316-S320 PolarHBondContact O-N 3.13Å; T316-S320 PolarHBondContact O-OG 3.5Å
317	Q	59.6	Low	50.1	Low	127 Å²	127	100.2 Å²	100.2	59%	0.593	55%	0.547	S	S	*	.	H	α-helix	trans	-70.9	-35.5	174.4	-63.5	-169	14.2	0	0	112	D313 D314 S320 T321	D313-Q317 PolarHBondContact O-N 3.4Å; D314-Q317 PolarHBondContact O-N 3.26Å; D314-Q317 VanDerWaalsContact O-N 3.15Å; Q317-S320 PolarHBondContact O-N 3Å; Q317-S320 PolarHBondContact O-OG 3.23Å; Q317-S320 VanDerWaalsContact O-OG 3.1Å; Q317-T321 WeakPolarHBondContact O-CB 3.22Å; Q317-T321 WeakPolarHBondContact O-CG2 3.34Å; Q317-T321 PolarHBondContact O-N 2.98Å; Q317-T321 PolarHBondContact O-OG1 3.04Å
318	I	53.5	Low	50	Low	91 Å²	91	98.7 Å²	98.7	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-63.6	-46.8	173.9	-65.8	165.5	0	0	0	110	D314 V315 S320 T321 V322	D314-I318 PolarHBondContact O-N 2.85Å; V315-I318 PolarHBondContact O-N 3.47Å; I318-S320 PolarHBondContact O-N 2.56Å; I318-T321 PolarHBondContact O-OG1 3.12Å; I318-T321 VanDerWaalsContact O-OG1 3.1Å; I318-V322 WeakPolarHBondContact O-CB 3.32Å; I318-V322 VanDerWaalsContact O-CG2 3.26Å; I318-V322 WeakPolarHBondContact O-CG2 3.34Å; I318-V322 PolarHBondContact O-N 3.45Å; I318-V322 VanDerWaalsContact O-N 3.14Å
319	F	48.1	Very low	50	Low	138 Å²	138	97.4 Å²	97.4	61%	0.605	54%	0.535	S	S	*	.	H	α-helix	trans	-71.5	-27.1	178.5	-82.7	-72.8	0	0	0	114.4	V315 T316 N323	V315-F319 HydrophobicContact CG1-CD2 3.94Å; V315-F319 HydrophobicContact CG1-CE2 3.99Å; V315-F319 WeakPolarHBondContact O-CD2 3.32Å; V315-F319 PolarHBondContact O-N 3.08Å; V315-F319 VanDerWaalsContact O-N 3.14Å; T316-F319 PolarHBondContact O-N 3.48Å; F319-N323 PolarHBondContact O-N 3.21Å; F319-N323 PolarHBondContact O-ND2 2.83Å; F319-N323 VanDerWaalsContact O-ND2 3.09Å
320	S	56.3	Low	50	Low	64 Å²	64	96.6 Å²	96.6	45%	0.448	53%	0.526	S	S	.	.	H	α-helix	trans	-73.9	-45.5	174.2	68	0	0	0	0	112	T316 Q317 I318 V322 N323 S324	T316-S320 PolarHBondContact O-N 3.13Å; T316-S320 PolarHBondContact O-OG 3.5Å; Q317-S320 PolarHBondContact O-N 3Å; Q317-S320 PolarHBondContact O-OG 3.23Å; Q317-S320 VanDerWaalsContact O-OG 3.1Å; I318-S320 PolarHBondContact O-N 2.56Å; S320-V322 PolarHBondContact O-N 3.37Å; S320-N323 PolarHBondContact O-N 3.27Å; S320-S324 PolarHBondContact O-N 3.38Å; S320-S324 PolarHBondContact O-OG 3.26Å
321	T	56	Low	50	Low	79 Å²	79	99.2 Å²	99.2	49%	0.485	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-40.8	178.7	49.1	0	0	0	0	112.8	Q317 I318 N323 S324 L325	Q317-T321 WeakPolarHBondContact O-CB 3.22Å; Q317-T321 WeakPolarHBondContact O-CG2 3.34Å; Q317-T321 PolarHBondContact O-N 2.98Å; Q317-T321 PolarHBondContact O-OG1 3.04Å; I318-T321 PolarHBondContact O-OG1 3.12Å; I318-T321 VanDerWaalsContact O-OG1 3.1Å; T321-N323 VanDerWaalsContact C-N 3.3Å; T321-N323 PolarHBondContact O-N 3.39Å; T321-S324 PolarHBondContact O-N 3.06Å; T321-L325 WeakPolarHBondContact O-CG 3.16Å; T321-L325 PolarHBondContact O-N 3.22Å
322	V	52.1	Low	49.7	Very low	82 Å²	82	99.3 Å²	99.3	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-34.2	175.4	171.7	0	0	0	0	112.2	I318 S320 K326	I318-V322 WeakPolarHBondContact O-CB 3.32Å; I318-V322 VanDerWaalsContact O-CG2 3.26Å; I318-V322 WeakPolarHBondContact O-CG2 3.34Å; I318-V322 PolarHBondContact O-N 3.45Å; I318-V322 VanDerWaalsContact O-N 3.14Å; S320-V322 PolarHBondContact O-N 3.37Å; V322-K326 PolarHBondContact O-N 3.47Å
323	N	49.6	Very low	49.3	Very low	106 Å²	106	100.4 Å²	100.4	57%	0.567	54%	0.541	S	S	*	.	H	α-helix	trans	-72	-41.9	174.5	-77.7	-33.2	0	0	0	112.4	F319 S320 T321 L325 K326 S327	F319-N323 PolarHBondContact O-N 3.21Å; F319-N323 PolarHBondContact O-ND2 2.83Å; F319-N323 VanDerWaalsContact O-ND2 3.09Å; S320-N323 PolarHBondContact O-N 3.27Å; T321-N323 VanDerWaalsContact C-N 3.3Å; T321-N323 PolarHBondContact O-N 3.39Å; N323-L325 VanDerWaalsContact C-N 3.33Å; N323-L325 PolarHBondContact O-N 3.04Å; N323-K326 WeakPolarHBondContact O-CB 3.5Å; N323-K326 PolarHBondContact O-N 2.83Å; N323-K326 VanDerWaalsContact O-N 3.09Å; N323-S327 PolarHBondContact O-N 2.88Å
324	S	52.3	Low	48.3	Very low	76 Å²	76	102.8 Å²	102.8	53%	0.531	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-38.2	175.9	-62	0	0	0	0	112.8	S320 T321 K326 S327 I328	S320-S324 PolarHBondContact O-N 3.38Å; S320-S324 PolarHBondContact O-OG 3.26Å; T321-S324 PolarHBondContact O-N 3.06Å; S324-K326 PolarHBondContact O-N 2.78Å; S324-S327 PolarHBondContact O-N 2.92Å; S324-I328 PolarHBondContact O-N 3.3Å
325	L	42.5	Very low	47.3	Very low	113 Å²	113	104.3 Å²	104.3	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-62.8	-29.5	174.3	-73.6	168.9	0	0	0	112.5	T321 N323 I328 S329	T321-L325 WeakPolarHBondContact O-CG 3.16Å; T321-L325 PolarHBondContact O-N 3.22Å; N323-L325 VanDerWaalsContact C-N 3.33Å; N323-L325 PolarHBondContact O-N 3.04Å; L325-I328 PolarHBondContact O-N 3.11Å; L325-S329 PolarHBondContact O-N 2.77Å
326	K	47	Very low	46.3	Very low	138 Å²	138	107.6 Å²	107.6	60%	0.6	58%	0.584	S	S	*	*	H	α-helix	trans	-72	-32.5	177.9	-165.5	173.1	-179.5	-178	0	113	V322 N323 S324 S329	V322-K326 PolarHBondContact O-N 3.47Å; N323-K326 WeakPolarHBondContact O-CB 3.5Å; N323-K326 PolarHBondContact O-N 2.83Å; N323-K326 VanDerWaalsContact O-N 3.09Å; S324-K326 PolarHBondContact O-N 2.78Å; K326-S329 WeakPolarHBondContact CA-OG 3.43Å; K326-S329 PolarHBondContact O-N 3.21Å; K326-S329 PolarHBondContact O-OG 3.18Å
327	S	44.8	Very low	45.1	Very low	76 Å²	76	112.7 Å²	112.7	53%	0.531	59%	0.594	S	S	.	*	H	α-helix	trans	-68.3	-38.2	171.4	-60.7	0	0	0	0	112.1	N323 S324 S329 E330	N323-S327 PolarHBondContact O-N 2.88Å; S324-S327 PolarHBondContact O-N 2.92Å; S327-S329 VanDerWaalsContact C-N 3.25Å; S327-S329 PolarHBondContact O-N 3.3Å; S327-E330 PolarHBondContact O-N 3.36Å; S327-E330 VanDerWaalsContact O-N 3.08Å
328	I	43.9	Very low	43.7	Very low	88 Å²	88	111.4 Å²	111.4	45%	0.451	60%	0.599	S	S	.	*	H	α-helix	trans	-63.4	-32.2	177.7	-65.9	167	0	0	0	111.5	S324 L325 E330 E331 I332	S324-I328 PolarHBondContact O-N 3.3Å; L325-I328 PolarHBondContact O-N 3.11Å; I328-E330 PolarHBondContact O-N 3.43Å; I328-E331 PolarHBondContact O-N 3.06Å; I328-I332 HydrophobicContact CG2-CD1 4Å; I328-I332 WeakPolarHBondContact O-CG1 3.43Å
329	S	41.3	Very low	42.6	Very low	69 Å²	69	111.3 Å²	111.3	48%	0.483	61%	0.612	S	S	.	*	H	α-helix	trans	-69.8	-7.4	174.9	47.5	0	0	0	0	115.6	L325 K326 S327	L325-S329 PolarHBondContact O-N 2.77Å; K326-S329 WeakPolarHBondContact CA-OG 3.43Å; K326-S329 PolarHBondContact O-N 3.21Å; K326-S329 PolarHBondContact O-OG 3.18Å; S327-S329 VanDerWaalsContact C-N 3.25Å; S327-S329 PolarHBondContact O-N 3.3Å
330	E	42.1	Very low	41.9	Very low	139 Å²	139	111.8 Å²	111.8	65%	0.65	63%	0.626	S	S	*	*	H	α-helix	trans	-97.1	-24.2	176.5	-68.4	178.3	170	0	0	112.7	S327 I328	S327-E330 PolarHBondContact O-N 3.36Å; S327-E330 VanDerWaalsContact O-N 3.08Å; I328-E330 PolarHBondContact O-N 3.43Å
331	E	42.1	Very low	40.7	Very low	154 Å²	154	114.5 Å²	114.5	72%	0.72	65%	0.645	S	S	*	*	H	α-helix	trans	-80.3	-24.5	177.6	-65.2	-171.4	135.8	0	0	113.9	I328 N333	I328-E331 PolarHBondContact O-N 3.06Å; E331-N333 VanDerWaalsContact C-N 3.29Å; E331-N333 PolarHBondContact O-N 3.28Å
332	I	43.3	Very low	39.7	Very low	124 Å²	124	116.4 Å²	116.4	64%	0.636	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-14.2	-173	-67.8	169.3	0	0	0	113.5	I328 N334	I328-I332 HydrophobicContact CG2-CD1 4Å; I328-I332 WeakPolarHBondContact O-CG1 3.43Å; I332-N334 VanDerWaalsContact C-N 3.25Å; I332-N334 PolarHBondContact O-N 3.02Å
333	N	40.6	Very low	38.6	Very low	132 Å²	132	119.4 Å²	119.4	71%	0.706	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	1	-177.9	-66.8	-50.2	0	0	0	114.8	E331	E331-N333 VanDerWaalsContact C-N 3.29Å; E331-N333 PolarHBondContact O-N 3.28Å
334	N	32	Very low	38.1	Very low	140 Å²	140	120.3 Å²	120.3	75%	0.749	70%	0.696	S	S	*	*	S	Bend	trans	-122	53.2	-175.1	-73.9	-45.7	0	0	0	113	I332	I332-N334 VanDerWaalsContact C-N 3.25Å; I332-N334 PolarHBondContact O-N 3.02Å
335	S	32.7	Very low	37.2	Very low	93 Å²	93	122 Å²	122	65%	0.65	71%	0.707	S	S	*	*			trans	-153.5	114.4	168.2	-46.6	0	0	0	0	114.5
336	D	33	Very low	36.9	Very low	138 Å²	138	122.2 Å²	122.2	74%	0.738	72%	0.718	S	S	*	*				69.2	127.2	124.8	-71.9	-29	0	0	0	125.2
337	Y	34	Very low	36.6	Very low	200 Å²	200	120.5 Å²	120.5	78%	0.784	72%	0.723	S	S	*	*			trans	87.6	95.7	135.8	-81.6	-129.1	0	0	0	121.7
338	S	30.5	Very low	36.4	Very low	99 Å²	99	121.4 Å²	121.4	69%	0.692	73%	0.73	S	S	*	*				43	109.6	98.2	-52.9	0	0	0	0	120.1
339	A	30	Very low	36.3	Very low	90 Å²	90	122.4 Å²	122.4	74%	0.744	75%	0.745	S	S	*	*			trans	52.4	123	136.2	0	0	0	0	0	121
340	T	34.7	Very low	36.2	Very low	147 Å²	147	124.6 Å²	124.6	90%	0.902	76%	0.76	S	S	*	*				-178.6	152.3	98.5	28.7	0	0	0	0	111.9
341	S	29.9	Very low	36	Very low	121 Å²	121	123.4 Å²	123.4	85%	0.846	77%	0.767	S	S	*	*			trans	-96.8	135	173.1	52.6	0	0	0	0	111.3
342	S	35.4	Very low	36.6	Very low	119 Å²	119	121.3 Å²	121.3	83%	0.832	77%	0.767	S	S	*	*			trans	-153.6	132	157.3	59.3	0	0	0	0	112.1
343	T	29.7	Very low	36.5	Very low	145 Å²	145	120.7 Å²	120.7	89%	0.89	77%	0.774	S	S	*	*			trans	-107.1	130	173.3	51.4	0	0	0	0	109.6
344	S	37.3	Very low	36.6	Very low	126 Å²	126	119.8 Å²	119.8	88%	0.881	78%	0.777	S	S	*	*			trans	-152.4	151.6	162.6	59.6	0	0	0	0	111.9
345	S	34.3	Very low	37.1	Very low	111 Å²	111	117.5 Å²	117.5	78%	0.776	77%	0.773	S	S	*	*			trans	-120.8	-177.2	-173.4	57.9	0	0	0	0	111.5
346	S	37.2	Very low	37.6	Very low	117 Å²	117	118.6 Å²	118.6	82%	0.818	78%	0.78	S	S	*	*			trans	90.8	150.6	179.9	88.9	0	0	0	0	113.8
347	S	39.2	Very low	38	Very low	102 Å²	102	116.4 Å²	116.4	71%	0.713	78%	0.781	S	S	*	*			cis	-152	168.4	-6	50.2	0	0	0	0	108.6
348	S	40.7	Very low	38.4	Very low	96 Å²	96	112 Å²	112	67%	0.671	78%	0.78	S	S	*	*				169.1	159.7	64.2	46.2	0	0	0	0	111.5
349	S	41.6	Very low	38.9	Very low	109 Å²	109	112 Å²	112	76%	0.762	78%	0.78	S	S	*	*			trans	48.1	144.8	153.3	43.9	0	0	0	0	122.3
350	S	40.8	Very low	39.4	Very low	115 Å²	115	112.7 Å²	112.7	80%	0.804	78%	0.779	S	S	*	*			cis	-164.1	156	-6.5	41.8	0	0	0	0	112.2
351	S	38	Very low	39.7	Very low	114 Å²	114	110.5 Å²	110.5	80%	0.797	77%	0.77	S	S	*	*			trans	-88	-158.5	-173.1	-26.3	0	0	0	0	112.7
352	P	53.9	Low	40.3	Very low	109 Å²	109	111 Å²	111	71%	0.708	77%	0.767	S	S	*	*			cis	-144	-176.4	8.4	44.6	-24.8	0	0	0	119
353	S	42.1	Very low	40.5	Very low	112 Å²	112	112.5 Å²	112.5	78%	0.783	76%	0.759	S	S	*	*			trans	81.4	143.8	148.6	77.2	0	0	0	0	119.6
354	S	42.2	Very low	41.1	Very low	112 Å²	112	112.4 Å²	112.4	78%	0.783	75%	0.748	S	S	*	*			cis	-170.8	-178.3	-20.1	64.6	0	0	0	0	108.6
355	S	42.7	Very low	41.1	Very low	93 Å²	93	111.7 Å²	111.7	65%	0.65	73%	0.734	S	S	*	*			cis	-158.3	164.7	2.7	72.7	0	0	0	0	110.7
356	S	43	Very low	41.6	Very low	115 Å²	115	112.6 Å²	112.6	80%	0.804	73%	0.73	S	S	*	*			trans	64.3	149.6	159.2	70.6	0	0	0	0	118.7
357	A	41	Very low	42	Very low	92 Å²	92	113.3 Å²	113.3	76%	0.76	73%	0.725	S	S	*	*			cis	-176.9	168.1	-13.2	0	0	0	0	0	106.8
358	S	42	Very low	42.3	Very low	108 Å²	108	112.7 Å²	112.7	76%	0.755	72%	0.721	S	S	*	*			cis	-176.5	151.9	-16	48.2	0	0	0	0	106.4
359	S	41.2	Very low	42.2	Very low	100 Å²	100	114.1 Å²	114.1	70%	0.699	72%	0.721	S	S	*	*			cis	-175.5	-170.4	-7.4	52.4	0	0	0	0	108.5
360	S	41.3	Very low	42.1	Very low	103 Å²	103	115.2 Å²	115.2	72%	0.72	72%	0.718	S	S	*	*			trans	67.2	143.1	157.3	43.9	0	0	0	0	119.3
361	S	40.8	Very low	42	Very low	101 Å²	101	117.8 Å²	117.8	71%	0.706	72%	0.715	S	S	*	*			cis	-169.9	150.5	-7	-106	0	0	0	0	112.5
362	V	41.4	Very low	42.3	Very low	131 Å²	131	118 Å²	118	79%	0.794	71%	0.707	S	S	*	*			trans	65.1	144.7	138.5	166.3	0	0	0	0	119.4
363	K	39.8	Very low	41.8	Very low	151 Å²	151	120.1 Å²	120.1	66%	0.657	71%	0.705	S	S	*	*			cis	175	155.1	-26.5	-144.2	178.5	175	-158.6	0	106.7
364	H	41.8	Very low	41.7	Very low	144 Å²	144	123.1 Å²	123.1	67%	0.667	70%	0.704	S	S	*	*			trans	66	159.9	158.5	-64	-31.7	0	0	0	114.9
365	N	38.9	Very low	41.3	Very low	110 Å²	110	124.4 Å²	124.4	59%	0.588	70%	0.698	S	S	*	*			cis	-163.2	174.9	-2.1	-129.5	28	0	0	0	111.3
366	D	44.4	Very low	40.9	Very low	130 Å²	130	128.1 Å²	128.1	70%	0.695	70%	0.702	S	S	*	*			trans	65.1	146.1	142.8	-60.9	-15.2	0	0	0	121.3
367	D	45.3	Very low	40.4	Very low	133 Å²	133	128.9 Å²	128.9	71%	0.711	69%	0.693	S	S	*	*			cis	-168.8	175.9	-24.4	-155.2	-8.3	0	0	0	110.4
368	S	45.4	Very low	40.1	Very low	89 Å²	89	131.1 Å²	131.1	62%	0.622	69%	0.692	S	S	*	*			trans	75.3	118.5	151.1	76.2	0	0	0	0	119.2
369	N	39	Very low	39.9	Very low	125 Å²	125	132.9 Å²	132.9	67%	0.668	69%	0.693	S	S	*	*				80.9	144.9	76.5	-65.7	-43.2	0	0	0	113.4
370	N	39.4	Very low	39.7	Very low	132 Å²	132	134.1 Å²	134.1	71%	0.706	69%	0.691	S	S	*	*			cis	-134.8	150.1	5.9	-92	-41	0	0	0	108.8
371	K	38.4	Very low	39.2	Very low	169 Å²	169	137.1 Å²	137.1	74%	0.735	70%	0.699	S	S	*	*				76.3	139.7	55.7	-85.6	179.6	177.1	165.1	0	116.2
372	D	45	Very low	39.1	Very low	119 Å²	119	140.5 Å²	140.5	64%	0.636	70%	0.703	S	S	*	*			trans	102.8	135.5	164.9	-65	-15	0	0	0	117.4
373	K	42.8	Very low	38.6	Very low	153 Å²	153	140.8 Å²	140.8	67%	0.665	70%	0.7	S	S	*	*			cis	-165.4	139.2	-8.1	-116	159.3	-168.3	146.3	0	112.9
374	K	39.5	Very low	38.5	Very low	175 Å²	175	140.8 Å²	140.8	76%	0.761	71%	0.707	S	S	*	*			trans	66.7	120.6	140.2	-74.2	-171.6	173.2	-155.5	0	120.9
375	H	33.9	Very low	38	Very low	140 Å²	140	141.2 Å²	141.2	65%	0.648	71%	0.714	S	S	*	*				77.6	140.4	91.4	-103.2	-81.4	0	0	0	113.1	E377	H375-E377 IonicContact CE1-OE2 3.96Å
376	F	34.6	Very low	38	Very low	171 Å²	171	143.1 Å²	143.1	75%	0.75	73%	0.725	S	S	*	*			cis	-150.5	148	31.8	-122.8	-86.9	0	0	0	106.9
377	E	33.2	Very low	37.5	Very low	131 Å²	131	145.4 Å²	145.4	61%	0.612	73%	0.731	S	S	*	*				43.7	133.4	68.5	-74.9	175.1	173.7	0	0	113.5	H375	H375-E377 IonicContact CE1-OE2 3.96Å
378	D	34	Very low	37.2	Very low	139 Å²	139	149 Å²	149	74%	0.743	74%	0.736	S	S	*	*			cis	-145.3	-165.8	-13	-91.9	-32.7	0	0	0	106.5
379	D	37	Very low	36.8	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	74%	0.744	S	S	*	*				172.5	176.4	57.6	-151.2	-19.7	0	0	0	111.9
380	L	37.9	Very low	36.6	Very low	127 Å²	127	151.3 Å²	151.3	67%	0.665	75%	0.75	S	S	*	*			trans	69.3	89.9	157.6	-74.6	158.6	0	0	0	120.8
381	L	31.4	Very low	36.5	Very low	166 Å²	166	152.2 Å²	152.2	87%	0.869	76%	0.755	S	S	*	*			trans	-58.5	151.9	140	-68.7	163.4	0	0	0	111
382	H	38.2	Very low	36.6	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.796	75%	0.752	S	S	*	*			trans	-144.7	131.6	153.3	-105	63.3	0	0	0	111.1
383	N	30.7	Very low	36.3	Very low	137 Å²	137	149.3 Å²	149.3	73%	0.733	76%	0.76	S	S	*	*			trans	-74.5	154.3	169.9	-70.4	-29.5	0	0	0	110.6
384	N	38.1	Very low	36.3	Very low	151 Å²	151	149.7 Å²	149.7	81%	0.807	77%	0.769	S	S	*	*			trans	-147	134.9	137.1	-89.4	-39.3	0	0	0	108.6
385	N	30.8	Very low	37	Very low	152 Å²	152	147.5 Å²	147.5	81%	0.813	77%	0.77	S	S	*	*			trans	-96.8	115.7	174.1	-65.8	-44.8	0	0	0	108.1
386	D	39.8	Very low	37.7	Very low	151 Å²	151	144.6 Å²	144.6	81%	0.807	77%	0.765	S	S	*	*			trans	-118.2	86.8	168.5	-79.2	-58.9	0	0	0	109.5
387	E	34.3	Very low	39.3	Very low	178 Å²	178	139.2 Å²	139.2	83%	0.832	75%	0.748	S	S	*	*			trans	-67.6	116.9	169.9	169.1	-171.9	-169.3	0	0	110.3
388	Y	38.7	Very low	40.6	Very low	208 Å²	208	138.7 Å²	138.7	82%	0.816	75%	0.746	S	S	*	*			trans	-157.3	124.9	155.9	-94.6	-62.4	0	0	0	114.9
389	N	35.8	Very low	41.9	Very low	147 Å²	147	134.8 Å²	134.8	79%	0.786	73%	0.733	S	S	*	*			trans	54.2	99.4	152.4	-62.4	-8.7	0	0	0	120.3
390	S	35.1	Very low	43.6	Very low	115 Å²	115	132.6 Å²	132.6	80%	0.804	72%	0.718	S	S	*	*			trans	-65.8	145.5	144.3	54	0	0	0	0	112.1
391	D	37.8	Very low	45.2	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	71%	0.71	S	S	*	*			trans	-160.2	164.9	136.9	-136	-31	0	0	0	114.4	T393	D391-T393 PolarHBondContact O-N 3.5Å
392	S	39.7	Very low	47.1	Very low	97 Å²	97	130.2 Å²	130.2	68%	0.678	69%	0.691	S	S	*	*			trans	69.5	20.4	163.4	-63.9	0	0	0	0	120	L394	S392-L394 VanDerWaalsContact C-N 3.26Å; S392-L394 PolarHBondContact O-N 3.02Å
393	T	39.9	Very low	48.6	Very low	130 Å²	130	127.1 Å²	127.1	80%	0.798	68%	0.68	S	S	*	*			trans	-73.7	77.9	159.2	47.3	0	0	0	0	111.1	D391 T395	D391-T393 PolarHBondContact O-N 3.5Å; T393-T395 VanDerWaalsContact C-N 3.29Å; T393-T395 PolarHBondContact O-N 3.38Å
394	L	41.4	Very low	50.8	Low	162 Å²	162	124.3 Å²	124.3	85%	0.848	67%	0.665	S	S	*	*			trans	-71.4	78.4	178.7	-73.9	176.2	0	0	0	112.5	S392 C396	S392-L394 VanDerWaalsContact C-N 3.26Å; S392-L394 PolarHBondContact O-N 3.02Å; L394-C396 PolarHBondContact O-N 3.08Å; L394-C396 VanDerWaalsContact O-N 3.16Å
395	T	54	Low	52.7	Low	128 Å²	128	119.7 Å²	119.7	79%	0.785	64%	0.64	S	S	*	*			trans	-69.2	101	162.7	43.2	0	0	0	0	109.4	T393 S397	T393-T395 VanDerWaalsContact C-N 3.29Å; T393-T395 PolarHBondContact O-N 3.38Å; T395-S397 PolarHBondContact O-N 3.41Å
396	C	49.5	Very low	55	Low	79 Å²	79	116.3 Å²	116.3	53%	0.534	62%	0.621	S	S	.	*			trans	-53.4	131.9	167.9	-76.6	0	0	0	0	109.6	L394 E400	L394-C396 PolarHBondContact O-N 3.08Å; L394-C396 VanDerWaalsContact O-N 3.16Å; C396-E400 VanDerWaalsContact CA-OE2 3.27Å; C396-E400 WeakPolarHBondContact CA-OE2 3.49Å; C396-E400 HydrophobicContact CB-CB 4.04Å
397	S	67.3	Low	56.8	Low	59 Å²	59	117.1 Å²	117.1	41%	0.413	61%	0.613	S	S	.	*			trans	-61.1	155.1	177	66	0	0	0	0	111.1	T395 A399 E400 Y401	T395-S397 PolarHBondContact O-N 3.41Å; S397-A399 PolarHBondContact O-N 3.32Å; S397-E400 PolarHBondContact N-OE2 3.44Å; S397-E400 WeakPolarHBondContact O-CA 3.33Å; S397-E400 WeakPolarHBondContact O-CB 3.48Å; S397-E400 PolarHBondContact O-N 3.14Å; S397-E400 WeakPolarHBondContact OG-CG 3.4Å; S397-E400 PolarHBondContact OG-N 3.29Å; S397-Y401 PolarHBondContact O-N 2.98Å
398	E	61.3	Low	58.9	Low	119 Å²	119	114.2 Å²	114.2	56%	0.556	60%	0.599	S	S	*	*	H	α-helix	trans	-50	-35.6	174.8	-177.1	70.3	-173.5	0	0	111.7	Y401 Y402	E398-Y401 PolarHBondContact O-N 3.38Å; E398-Y402 HydrophobicContact CG-CD2 4.24Å; E398-Y402 HydrophobicContact CG-CE2 3.68Å; E398-Y402 WeakPolarHBondContact O-CD2 3.47Å; E398-Y402 PolarHBondContact O-N 3.33Å; E398-Y402 VanDerWaalsContact O-N 3.11Å; E398-Y402 WeakPolarHBondContact OE1-CE2 2.95Å; E398-Y402 PolarHBondContact OE1-OH 3.02Å
399	A	62.4	Low	60.9	Low	58 Å²	58	109.8 Å²	109.8	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-68.9	-40.3	174.9	0	0	0	0	0	113.6	S397 N403	S397-A399 PolarHBondContact O-N 3.32Å; A399-N403 WeakPolarHBondContact O-CB 3.37Å; A399-N403 PolarHBondContact O-N 3.48Å; A399-N403 PolarHBondContact O-ND2 3.47Å
400	E	71.4	Confident	62.9	Low	97 Å²	97	107.9 Å²	107.9	45%	0.453	57%	0.57	S	S	.	*	H	α-helix	trans	-68	-37	173.2	-74.1	176	147.9	0	0	112	C396 S397 N403 N404	C396-E400 VanDerWaalsContact CA-OE2 3.27Å; C396-E400 WeakPolarHBondContact CA-OE2 3.49Å; C396-E400 HydrophobicContact CB-CB 4.04Å; S397-E400 PolarHBondContact N-OE2 3.44Å; S397-E400 WeakPolarHBondContact O-CA 3.33Å; S397-E400 WeakPolarHBondContact O-CB 3.48Å; S397-E400 PolarHBondContact O-N 3.14Å; S397-E400 WeakPolarHBondContact OG-CG 3.4Å; S397-E400 PolarHBondContact OG-N 3.29Å; E400-N403 PolarHBondContact O-N 3.42Å; E400-N404 VanDerWaalsContact O-CB 3.31Å; E400-N404 WeakPolarHBondContact O-CB 3.24Å; E400-N404 PolarHBondContact O-N 3.35Å; E400-N404 PolarHBondContact O-ND2 3.06Å; E400-N404 VanDerWaalsContact O-ND2 3.16Å
401	Y	72	Confident	65	Low	127 Å²	127	105.9 Å²	105.9	50%	0.498	55%	0.55	S	S	.	*	H	α-helix	trans	-58.8	-49	173.4	172.1	-105.2	0	0	0	111.2	S397 E398 N403 N404 L405	S397-Y401 PolarHBondContact O-N 2.98Å; E398-Y401 PolarHBondContact O-N 3.38Å; Y401-N403 PolarHBondContact O-N 3.15Å; Y401-N404 PolarHBondContact O-N 2.91Å; Y401-L405 HydrophobicContact CE1-CD2 4.45Å; Y401-L405 VanDerWaalsContact O-CB 3.27Å; Y401-L405 WeakPolarHBondContact O-CB 3.36Å; Y401-L405 PolarHBondContact O-N 3.42Å
402	Y	71.6	Confident	66.8	Low	117 Å²	117	107.5 Å²	107.5	46%	0.459	55%	0.545	S	S	.	.	H	α-helix	trans	-64.1	-41.2	176	-72.6	-57	0	0	0	113.1	E398 L405 I406	E398-Y402 HydrophobicContact CG-CD2 4.24Å; E398-Y402 HydrophobicContact CG-CE2 3.68Å; E398-Y402 WeakPolarHBondContact O-CD2 3.47Å; E398-Y402 PolarHBondContact O-N 3.33Å; E398-Y402 VanDerWaalsContact O-N 3.11Å; E398-Y402 WeakPolarHBondContact OE1-CE2 2.95Å; E398-Y402 PolarHBondContact OE1-OH 3.02Å; Y402-L405 HydrophobicContact CD1-CD2 4.49Å; Y402-L405 PolarHBondContact O-N 2.92Å; Y402-I406 VanDerWaalsContact O-CG1 3.27Å; Y402-I406 WeakPolarHBondContact O-CG1 3.39Å; Y402-I406 PolarHBondContact O-N 3.05Å
403	N	70.1	Confident	68.7	Low	107 Å²	107	109.4 Å²	109.4	57%	0.572	54%	0.541	S	S	*	.	H	α-helix	trans	-62.8	-44.9	176.4	-83.4	-60.4	0	0	0	112.1	A399 E400 Y401 L405 I406 R407	A399-N403 WeakPolarHBondContact O-CB 3.37Å; A399-N403 PolarHBondContact O-N 3.48Å; A399-N403 PolarHBondContact O-ND2 3.47Å; E400-N403 PolarHBondContact O-N 3.42Å; Y401-N403 PolarHBondContact O-N 3.15Å; N403-L405 PolarHBondContact O-N 3.2Å; N403-I406 PolarHBondContact O-N 3.41Å; N403-R407 WeakPolarHBondContact O-CB 3.41Å; N403-R407 PolarHBondContact O-N 3.1Å
404	N	75.6	Confident	70.5	Confident	77 Å²	77	110.1 Å²	110.1	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174.1	-84.1	-53	0	0	0	112	E400 Y401 I406 R407 Q408	E400-N404 VanDerWaalsContact O-CB 3.31Å; E400-N404 WeakPolarHBondContact O-CB 3.24Å; E400-N404 PolarHBondContact O-N 3.35Å; E400-N404 PolarHBondContact O-ND2 3.06Å; E400-N404 VanDerWaalsContact O-ND2 3.16Å; Y401-N404 PolarHBondContact O-N 2.91Å; N404-I406 VanDerWaalsContact C-N 3.35Å; N404-I406 PolarHBondContact O-N 3.2Å; N404-R407 PolarHBondContact O-N 3.33Å; N404-Q408 WeakPolarHBondContact O-CB 3.4Å; N404-Q408 WeakPolarHBondContact O-CG 3.36Å; N404-Q408 PolarHBondContact O-N 3.37Å
405	L	78.1	Confident	72.3	Confident	55 Å²	55	109 Å²	109	29%	0.288	52%	0.515	S	S	.	.	H	α-helix	trans	-64.6	-36.5	175.3	-178	60.9	0	0	0	112.3	Y401 Y402 N403 K409	Y401-L405 HydrophobicContact CE1-CD2 4.45Å; Y401-L405 VanDerWaalsContact O-CB 3.27Å; Y401-L405 WeakPolarHBondContact O-CB 3.36Å; Y401-L405 PolarHBondContact O-N 3.42Å; Y402-L405 HydrophobicContact CD1-CD2 4.49Å; Y402-L405 PolarHBondContact O-N 2.92Å; N403-L405 PolarHBondContact O-N 3.2Å; L405-K409 HydrophobicContact CG-CD 4.41Å; L405-K409 WeakPolarHBondContact O-CB 3.29Å; L405-K409 WeakPolarHBondContact O-CD 3.45Å; L405-K409 WeakPolarHBondContact O-CG 3.41Å; L405-K409 PolarHBondContact O-N 3.31Å
406	I	79.2	Confident	73.3	Confident	81 Å²	81	107.1 Å²	107.1	42%	0.415	50%	0.499	S	S	.	.	H	α-helix	trans	-67.8	-44.8	172.8	-69.4	163.2	0	0	0	110.5	Y402 N403 N404 Q408 K409 H410	Y402-I406 VanDerWaalsContact O-CG1 3.27Å; Y402-I406 WeakPolarHBondContact O-CG1 3.39Å; Y402-I406 PolarHBondContact O-N 3.05Å; N403-I406 PolarHBondContact O-N 3.41Å; N404-I406 VanDerWaalsContact C-N 3.35Å; N404-I406 PolarHBondContact O-N 3.2Å; I406-Q408 PolarHBondContact O-N 3.19Å; I406-K409 WeakPolarHBondContact O-CB 3.44Å; I406-K409 PolarHBondContact O-N 2.9Å; I406-H410 PolarHBondContact O-N 3.33Å
407	R	78.8	Confident	74.6	Confident	167 Å²	167	111.1 Å²	111.1	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-60.2	-45.5	176.4	-166.2	173.4	-177.4	-120.4	3.8	111.8	N403 N404 K409 H410 L411	N403-R407 WeakPolarHBondContact O-CB 3.41Å; N403-R407 PolarHBondContact O-N 3.1Å; N404-R407 PolarHBondContact O-N 3.33Å; R407-K409 PolarHBondContact O-N 2.92Å; R407-H410 PolarHBondContact O-N 2.72Å; R407-L411 HydrophobicContact CG-CD1 4.45Å; R407-L411 WeakPolarHBondContact O-CG 3.43Å; R407-L411 PolarHBondContact O-N 2.78Å
408	Q	77.1	Confident	74.9	Confident	118 Å²	118	113.7 Å²	113.7	55%	0.551	51%	0.511	S	S	*	.	H	α-helix	trans	-55.4	-48.1	171.2	-75.1	-86.3	19.2	0	0	112	N404 I406 H410 L411 R412	N404-Q408 WeakPolarHBondContact O-CB 3.4Å; N404-Q408 WeakPolarHBondContact O-CG 3.36Å; N404-Q408 PolarHBondContact O-N 3.37Å; I406-Q408 PolarHBondContact O-N 3.19Å; Q408-H410 VanDerWaalsContact C-N 3.35Å; Q408-H410 PolarHBondContact O-N 3.03Å; Q408-L411 PolarHBondContact O-N 3.39Å; Q408-R412 WeakPolarHBondContact O-CB 3.31Å; Q408-R412 PolarHBondContact O-N 3.01Å
409	K	80.3	Confident	75	Confident	114 Å²	114	113.8 Å²	113.8	50%	0.496	51%	0.511	S	S	.	.	H	α-helix	trans	-60.8	-40.3	177.2	-74.3	163	-176.6	167.8	0	111.8	L405 I406 R407 K413	L405-K409 HydrophobicContact CG-CD 4.41Å; L405-K409 WeakPolarHBondContact O-CB 3.29Å; L405-K409 WeakPolarHBondContact O-CD 3.45Å; L405-K409 WeakPolarHBondContact O-CG 3.41Å; L405-K409 PolarHBondContact O-N 3.31Å; I406-K409 WeakPolarHBondContact O-CB 3.44Å; I406-K409 PolarHBondContact O-N 2.9Å; R407-K409 PolarHBondContact O-N 2.92Å; K409-K413 WeakPolarHBondContact O-CG 3.43Å; K409-K413 PolarHBondContact O-N 3.39Å; K409-K413 VanDerWaalsContact O-N 3.11Å
410	H	78.8	Confident	75.2	Confident	108 Å²	108	118.4 Å²	118.4	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-68.8	-45.2	175.8	-73.4	141.6	0	0	0	113.1	I406 R407 Q408 R412 K413 Y414	I406-H410 PolarHBondContact O-N 3.33Å; R407-H410 PolarHBondContact O-N 2.72Å; Q408-H410 VanDerWaalsContact C-N 3.35Å; Q408-H410 PolarHBondContact O-N 3.03Å; H410-R412 VanDerWaalsContact C-N 3.3Å; H410-R412 PolarHBondContact O-N 3.25Å; H410-K413 WeakPolarHBondContact O-CB 3.32Å; H410-K413 PolarHBondContact O-N 2.63Å; H410-Y414 PolarHBondContact O-N 2.98Å
411	L	79.6	Confident	74.5	Confident	73 Å²	73	117 Å²	117	38%	0.382	52%	0.521	S	S	.	.	H	α-helix	trans	-59.6	-40	174.9	-70.5	170.7	0	0	0	111.9	R407 Q408 Y414 R415	R407-L411 HydrophobicContact CG-CD1 4.45Å; R407-L411 WeakPolarHBondContact O-CG 3.43Å; R407-L411 PolarHBondContact O-N 2.78Å; Q408-L411 PolarHBondContact O-N 3.39Å; L411-Y414 PolarHBondContact O-N 3.12Å; L411-R415 VanDerWaalsContact O-CG 3.31Å; L411-R415 WeakPolarHBondContact O-CG 3.22Å; L411-R415 PolarHBondContact O-N 3.15Å
412	R	75.8	Confident	73.8	Confident	184 Å²	184	117.5 Å²	117.5	69%	0.694	53%	0.526	S	S	*	.	H	α-helix	trans	-64.3	-42.5	175.5	-164.7	172.8	-174.6	170.9	2.2	112.2	Q408 H410 I416	Q408-R412 WeakPolarHBondContact O-CB 3.31Å; Q408-R412 PolarHBondContact O-N 3.01Å; H410-R412 VanDerWaalsContact C-N 3.3Å; H410-R412 PolarHBondContact O-N 3.25Å; R412-I416 HydrophobicContact CG-CD1 4.31Å; R412-I416 WeakPolarHBondContact O-CD1 3.46Å; R412-I416 VanDerWaalsContact O-CG1 3.3Å; R412-I416 WeakPolarHBondContact O-CG1 3.39Å; R412-I416 PolarHBondContact O-N 3.43Å; R412-I416 VanDerWaalsContact O-N 3.14Å
413	K	79.1	Confident	72.9	Confident	138 Å²	138	119 Å²	119	60%	0.6	54%	0.537	S	S	*	.	H	α-helix	trans	-59.7	-45.7	172.3	-74	172.6	-179.7	175.6	0	111.6	K409 H410 I416 K417	K409-K413 WeakPolarHBondContact O-CG 3.43Å; K409-K413 PolarHBondContact O-N 3.39Å; K409-K413 VanDerWaalsContact O-N 3.11Å; H410-K413 WeakPolarHBondContact O-CB 3.32Å; H410-K413 PolarHBondContact O-N 2.63Å; K413-I416 PolarHBondContact O-N 3.28Å; K413-K417 PolarHBondContact O-N 3.43Å
414	Y	76.3	Confident	71.9	Confident	144 Å²	144	122.2 Å²	122.2	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-63.4	-47.7	179.5	179.9	-89.7	0	0	0	112.3	H410 L411 I416 K417 K418	H410-Y414 PolarHBondContact O-N 2.98Å; L411-Y414 PolarHBondContact O-N 3.12Å; Y414-I416 VanDerWaalsContact C-N 3.34Å; Y414-I416 PolarHBondContact O-N 3.05Å; Y414-K417 WeakPolarHBondContact O-CB 3.16Å; Y414-K417 PolarHBondContact O-N 3.38Å; Y414-K417 VanDerWaalsContact O-N 3.08Å; Y414-K418 HydrophobicContact CE1-CD 3.98Å; Y414-K418 PolarHBondContact O-N 2.66Å
415	R	79.8	Confident	70.6	Confident	140 Å²	140	122.7 Å²	122.7	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-54.5	-48.4	175.3	-71.5	170.3	-174.2	143.9	0.4	111	L411 K417 K418 H419	L411-R415 VanDerWaalsContact O-CG 3.31Å; L411-R415 WeakPolarHBondContact O-CG 3.22Å; L411-R415 PolarHBondContact O-N 3.15Å; R415-K417 VanDerWaalsContact C-N 3.33Å; R415-K417 PolarHBondContact O-N 3.17Å; R415-K418 PolarHBondContact O-N 3.22Å; R415-K418 VanDerWaalsContact O-N 3.15Å; R415-H419 PolarHBondContact O-CD2 3.39Å; R415-H419 VanDerWaalsContact O-CD2 3.22Å; R415-H419 PolarHBondContact O-N 3.11Å
416	I	74.5	Confident	69	Low	88 Å²	88	124.5 Å²	124.5	45%	0.451	57%	0.572	S	S	.	*	H	α-helix	trans	-60.5	-40	177.2	-67.3	165.7	0	0	0	111.7	R412 K413 Y414 H419 K420	R412-I416 HydrophobicContact CG-CD1 4.31Å; R412-I416 WeakPolarHBondContact O-CD1 3.46Å; R412-I416 VanDerWaalsContact O-CG1 3.3Å; R412-I416 WeakPolarHBondContact O-CG1 3.39Å; R412-I416 PolarHBondContact O-N 3.43Å; R412-I416 VanDerWaalsContact O-N 3.14Å; K413-I416 PolarHBondContact O-N 3.28Å; Y414-I416 VanDerWaalsContact C-N 3.34Å; Y414-I416 PolarHBondContact O-N 3.05Å; I416-H419 PolarHBondContact O-N 3.14Å; I416-K420 HydrophobicContact CG2-CD 4.23Å; I416-K420 WeakPolarHBondContact O-CB 3.42Å; I416-K420 WeakPolarHBondContact O-CG 3.28Å; I416-K420 PolarHBondContact O-N 3.43Å
417	K	76.8	Confident	67.2	Low	162 Å²	162	130 Å²	130	70%	0.704	59%	0.593	S	S	*	*	H	α-helix	trans	-64.1	-40.8	175.6	-163.1	177.3	-179.6	-176.2	0	111.7	K413 Y414 R415 K420 S421	K413-K417 PolarHBondContact O-N 3.43Å; Y414-K417 WeakPolarHBondContact O-CB 3.16Å; Y414-K417 PolarHBondContact O-N 3.38Å; Y414-K417 VanDerWaalsContact O-N 3.08Å; R415-K417 VanDerWaalsContact C-N 3.33Å; R415-K417 PolarHBondContact O-N 3.17Å; K417-K420 PolarHBondContact O-N 3.23Å; K417-S421 PolarHBondContact O-N 2.95Å; K417-S421 PolarHBondContact O-OG 3.48Å
418	K	73.8	Confident	65.3	Low	113 Å²	113	126.1 Å²	126.1	49%	0.491	59%	0.592	S	S	.	*	H	α-helix	trans	-68.4	-34.4	178.1	-166.7	168.2	-176	171	0	113.3	Y414 R415 S421 K422	Y414-K418 HydrophobicContact CE1-CD 3.98Å; Y414-K418 PolarHBondContact O-N 2.66Å; R415-K418 PolarHBondContact O-N 3.22Å; R415-K418 VanDerWaalsContact O-N 3.15Å; K418-S421 PolarHBondContact O-OG 3.18Å; K418-S421 VanDerWaalsContact O-OG 3.06Å; K418-K422 PolarHBondContact O-N 2.89Å
419	H	65	Low	63.3	Low	121 Å²	121	127.3 Å²	127.3	56%	0.56	60%	0.602	S	S	*	*	H	α-helix	trans	-70.1	-41.1	169.5	-76.1	-79.7	0	0	0	112	R415 I416 S421 K422 H423	R415-H419 PolarHBondContact O-CD2 3.39Å; R415-H419 VanDerWaalsContact O-CD2 3.22Å; R415-H419 PolarHBondContact O-N 3.11Å; I416-H419 PolarHBondContact O-N 3.14Å; H419-S421 VanDerWaalsContact C-N 3.34Å; H419-S421 PolarHBondContact O-N 3.19Å; H419-K422 PolarHBondContact O-N 2.94Å; H419-H423 PolarHBondContact O-CD2 3.46Å; H419-H423 VanDerWaalsContact O-CD2 3.3Å; H419-H423 PolarHBondContact O-N 3.37Å
420	K	64.7	Low	61.3	Low	155 Å²	155	130.3 Å²	130.3	67%	0.674	62%	0.624	S	S	*	*	H	α-helix	trans	-67.4	-27.8	178.4	-75.4	-176.6	177.4	-173.5	0	113.9	I416 K417	I416-K420 HydrophobicContact CG2-CD 4.23Å; I416-K420 WeakPolarHBondContact O-CB 3.42Å; I416-K420 WeakPolarHBondContact O-CG 3.28Å; I416-K420 PolarHBondContact O-N 3.43Å; K417-K420 PolarHBondContact O-N 3.23Å
421	S	57.4	Low	59.6	Low	68 Å²	68	132.3 Å²	132.3	48%	0.476	63%	0.633	S	S	.	*	H	α-helix	trans	-74.5	-46	170.9	57.2	0	0	0	0	112	K417 K418 H419 H423 K424 S425	K417-S421 PolarHBondContact O-N 2.95Å; K417-S421 PolarHBondContact O-OG 3.48Å; K418-S421 PolarHBondContact O-OG 3.18Å; K418-S421 VanDerWaalsContact O-OG 3.06Å; H419-S421 VanDerWaalsContact C-N 3.34Å; H419-S421 PolarHBondContact O-N 3.19Å; S421-H423 VanDerWaalsContact C-N 3.28Å; S421-H423 PolarHBondContact O-N 3.07Å; S421-K424 PolarHBondContact O-N 3.26Å; S421-S425 PolarHBondContact O-N 2.92Å; S421-S425 PolarHBondContact O-OG 2.91Å
422	K	57.9	Low	57.6	Low	138 Å²	138	139.9 Å²	139.9	60%	0.6	66%	0.658	S	S	*	*	H	α-helix	trans	-56.1	-38.3	178.2	-79.8	-166.9	170.7	-163.2	0	113.5	K418 H419 K424 S425 S426	K418-K422 PolarHBondContact O-N 2.89Å; H419-K422 PolarHBondContact O-N 2.94Å; K422-K424 VanDerWaalsContact C-N 3.27Å; K422-K424 PolarHBondContact O-N 3.28Å; K422-S425 PolarHBondContact O-OG 3.5Å; K422-S425 VanDerWaalsContact O-OG 3.08Å; K422-S426 PolarHBondContact O-OG 3.27Å
423	H	53.3	Low	55.7	Low	148 Å²	148	134.2 Å²	134.2	69%	0.685	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-5.6	175.5	-73.4	-65.3	0	0	0	114.8	H419 S421	H419-H423 PolarHBondContact O-CD2 3.46Å; H419-H423 VanDerWaalsContact O-CD2 3.3Å; H419-H423 PolarHBondContact O-N 3.37Å; S421-H423 VanDerWaalsContact C-N 3.28Å; S421-H423 PolarHBondContact O-N 3.07Å
424	K	49.1	Very low	54	Low	174 Å²	174	132.5 Å²	132.5	76%	0.757	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-18.5	178.7	-153.2	176.4	-177.3	-170.5	0	113.4	S421 K422 S426	S421-K424 PolarHBondContact O-N 3.26Å; K422-K424 VanDerWaalsContact C-N 3.27Å; K422-K424 PolarHBondContact O-N 3.28Å; K424-S426 VanDerWaalsContact C-N 3.34Å
425	S	46.5	Very low	52.2	Low	88 Å²	88	133 Å²	133	62%	0.615	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-9.7	172.1	47.6	0	0	0	0	114.3	S421 K422	S421-S425 PolarHBondContact O-N 2.92Å; S421-S425 PolarHBondContact O-OG 2.91Å; K422-S425 PolarHBondContact O-OG 3.5Å; K422-S425 VanDerWaalsContact O-OG 3.08Å
426	S	44.8	Very low	50.5	Low	92 Å²	92	130.8 Å²	130.8	64%	0.643	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	12.4	-176.7	-52.6	0	0	0	0	114.7	K422 K424	K422-S426 PolarHBondContact O-OG 3.27Å; K424-S426 VanDerWaalsContact C-N 3.34Å
427	F	41.7	Very low	48.9	Very low	196 Å²	196	132 Å²	132	86%	0.86	70%	0.698	S	S	*	*	S	Bend	trans	-135.4	30.9	-172.3	-106.9	-80.2	0	0	0	113.8
428	S	38.5	Very low	47.3	Very low	86 Å²	86	129 Å²	129	60%	0.601	70%	0.697	S	S	*	*	S	Bend	trans	-157	70.4	172.8	60.4	0	0	0	0	111.2
429	N	36.7	Very low	45.7	Very low	143 Å²	143	129.1 Å²	129.1	77%	0.765	71%	0.712	S	S	*	*			trans	-172.5	100.2	154.4	-100.6	0.3	0	0	0	110.2
430	N	38.2	Very low	44.6	Very low	178 Å²	178	128.3 Å²	128.3	95%	0.952	72%	0.72	S	S	*	*			trans	-154.6	125.4	146.4	-108.5	-15.6	0	0	0	105.8
431	Q	41.9	Very low	43.5	Very low	149 Å²	149	125.8 Å²	125.8	70%	0.696	72%	0.722	S	S	*	*			trans	-142.8	114.7	-146.2	-178.1	-178.3	-13.9	0	0	111.2
432	Y	38.6	Very low	42.8	Very low	232 Å²	232	127.9 Å²	127.9	91%	0.91	74%	0.737	S	S	*	*			trans	63.3	155.7	159.3	-78.1	-113.5	0	0	0	118.9
433	G	35.4	Very low	42	Very low	66 Å²	66	126.3 Å²	126.3	68%	0.68	74%	0.743	S	S	*	*			trans	100.2	128.3	174.4	0	0	0	0	0	114.6
434	S	43.6	Very low	41.5	Very low	102 Å²	102	124.9 Å²	124.9	71%	0.713	75%	0.75	S	S	*	*			cis	-154.2	152.2	-10.1	-50.5	0	0	0	0	111.3
435	D	39.3	Very low	41	Very low	153 Å²	153	121.8 Å²	121.8	82%	0.818	75%	0.749	S	S	*	*			trans	65.9	153.8	148.8	-48.9	-32.5	0	0	0	122.2
436	S	42.4	Very low	40.8	Very low	95 Å²	95	122.8 Å²	122.8	66%	0.664	76%	0.756	S	S	*	*			cis	-168.8	164	-36.2	62.2	0	0	0	0	109.8
437	S	41.7	Very low	40.9	Very low	113 Å²	113	122.9 Å²	122.9	79%	0.79	76%	0.756	S	S	*	*			trans	70.7	152.7	167.3	90.3	0	0	0	0	116.7
438	S	42.5	Very low	41.1	Very low	99 Å²	99	120 Å²	120	69%	0.692	75%	0.75	S	S	*	*			cis	-157.4	157	-2.4	37.5	0	0	0	0	112.5
439	S	41.7	Very low	41.6	Very low	115 Å²	115	121.7 Å²	121.7	80%	0.804	75%	0.752	S	S	*	*			trans	65.6	150.4	162.4	75	0	0	0	0	118
440	S	41.5	Very low	42.2	Very low	104 Å²	104	121.6 Å²	121.6	73%	0.727	75%	0.752	S	S	*	*			cis	-170.1	166.9	-17	49.2	0	0	0	0	106.8
441	S	40.1	Very low	42.9	Very low	103 Å²	103	120.5 Å²	120.5	72%	0.72	75%	0.746	S	S	*	*			cis	-167.8	174.6	17.3	-12.6	0	0	0	0	108.1
442	S	43.2	Very low	43.5	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	75%	0.754	S	S	*	*			cis	177.8	96.3	-28.9	53.7	0	0	0	0	111.7
443	S	41.5	Very low	43.9	Very low	106 Å²	106	116.6 Å²	116.6	74%	0.741	75%	0.746	S	S	*	*			trans	-162	107.4	170.7	55.9	0	0	0	0	111
444	S	42.9	Very low	44.7	Very low	117 Å²	117	123 Å²	123	82%	0.818	76%	0.758	S	S	*	*				65.4	131.8	79.7	71.3	0	0	0	0	113.4
445	C	37.9	Very low	45.1	Very low	109 Å²	109	126.7 Å²	126.7	74%	0.736	76%	0.764	S	S	*	*			cis	-149.9	142	17.9	56.6	0	0	0	0	110.2
446	S	43.3	Very low	45.8	Very low	110 Å²	110	126.5 Å²	126.5	77%	0.769	76%	0.758	S	S	*	*				69.7	142.7	91.3	-51.5	0	0	0	0	116.1
447	S	45.7	Very low	46.2	Very low	93 Å²	93	128.2 Å²	128.2	65%	0.65	76%	0.756	S	S	*	*			cis	-171.9	173.9	-18.9	-77.5	0	0	0	0	108.2
448	N	46.7	Very low	46.7	Very low	136 Å²	136	129.7 Å²	129.7	73%	0.727	75%	0.75	S	S	*	*			trans	74.4	149.4	165	-56.7	55.4	0	0	0	116.9
449	D	49.1	Very low	47.3	Very low	121 Å²	121	132.3 Å²	132.3	65%	0.647	75%	0.752	S	S	*	*			cis	-166.5	168.3	-21.1	-92.7	-19.1	0	0	0	107.7
450	D	49.9	Very low	48	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	74%	0.743	S	S	*	*			trans	60.7	116	165.2	-48.6	-26.7	0	0	0	116.9
451	D	52	Low	48.8	Very low	156 Å²	156	132.3 Å²	132.3	83%	0.834	73%	0.726	S	S	*	*				86.8	153.5	66.9	-84.2	-14	0	0	0	114.1
452	D	54	Low	49.8	Very low	161 Å²	161	132.9 Å²	132.9	86%	0.861	72%	0.717	S	S	*	*			trans	81.6	166.7	-171.2	-66.8	-34.8	0	0	0	118.5
453	D	47.4	Very low	50.7	Low	138 Å²	138	131.9 Å²	131.9	74%	0.738	70%	0.7	S	S	*	*			trans	70.7	69.6	175.8	-62.5	-24.2	0	0	0	120.4	E455	D453-E455 PolarHBondContact O-N 2.89Å; D453-E455 VanDerWaalsContact O-N 3.07Å
454	E	51.3	Low	52.1	Low	200 Å²	200	129 Å²	129	94%	0.935	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-4.2	170.4	-81.6	-166	142.6	0	0	115.9
455	E	53.9	Low	53.5	Low	179 Å²	179	128.9 Å²	128.9	84%	0.836	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-20.5	-178.6	-65.6	-164.6	159.8	0	0	114.5	D453 E457	D453-E455 PolarHBondContact O-N 2.89Å; D453-E455 VanDerWaalsContact O-N 3.07Å; E455-E457 VanDerWaalsContact C-N 3.29Å; E455-E457 PolarHBondContact O-N 3.48Å
456	E	53.3	Low	55.3	Low	150 Å²	150	127.6 Å²	127.6	70%	0.701	65%	0.646	S	S	*	*	H	α-helix	trans	-69.6	-22.3	179.2	-70.3	-154.8	149.1	0	0	113.5	E458 E459 E460	E456-E458 PolarHBondContact O-N 3.44Å; E456-E459 PolarHBondContact O-N 3.22Å; E456-E459 VanDerWaalsContact O-N 3.16Å; E456-E460 PolarHBondContact O-N 3.31Å; E456-E460 VanDerWaalsContact O-N 3.16Å
457	E	50.3	Low	56.9	Low	131 Å²	131	127.8 Å²	127.8	61%	0.612	63%	0.633	S	S	*	*	H	α-helix	trans	-71.2	-13.3	-173.7	-137.4	-158.5	-143.6	0	0	113.2	E455 K461	E455-E457 VanDerWaalsContact C-N 3.29Å; E455-E457 PolarHBondContact O-N 3.48Å; E457-K461 VanDerWaalsContact O-CD 3.32Å; E457-K461 WeakPolarHBondContact O-CD 3.47Å; E457-K461 VanDerWaalsContact O-CE 3.32Å; E457-K461 WeakPolarHBondContact O-CE 3.3Å; E457-K461 WeakPolarHBondContact O-CG 3.46Å; E457-K461 PolarHBondContact O-NZ 2.9Å; E457-K461 WeakPolarHBondContact OE2-CE 3.41Å; E457-K461 IonicContact OE2-NZ 3.24Å; E457-K461 PolarHBondContact OE2-NZ 3.16Å
458	E	52.1	Low	58.3	Low	143 Å²	143	129.6 Å²	129.6	67%	0.668	63%	0.629	S	S	*	*	H	α-helix	trans	-83.6	-38.5	169.2	-75.3	-106.9	106.9	0	0	112.1	E456 K461 E462	E456-E458 PolarHBondContact O-N 3.44Å; E458-K461 CarbonylContact O-C 3.59Å; E458-K461 WeakPolarHBondContact O-CB 3.39Å; E458-K461 PolarHBondContact O-N 2.98Å; E458-E462 PolarHBondContact O-N 2.85Å
459	E	56.1	Low	59.8	Low	155 Å²	155	127.7 Å²	127.7	72%	0.724	62%	0.616	S	S	*	*	H	α-helix	trans	-66.8	-41.3	177.3	-75.2	-145	140.1	0	0	112.1	E456 K461 E462 E463	E456-E459 PolarHBondContact O-N 3.22Å; E456-E459 VanDerWaalsContact O-N 3.16Å; E459-K461 VanDerWaalsContact C-N 3.26Å; E459-K461 PolarHBondContact O-N 3.35Å; E459-E462 PolarHBondContact O-N 2.92Å; E459-E462 VanDerWaalsContact O-N 3.15Å; E459-E463 WeakPolarHBondContact O-CB 3.17Å; E459-E463 PolarHBondContact O-N 3.05Å
460	E	56	Low	61.3	Low	134 Å²	134	127.7 Å²	127.7	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-59.7	-37.2	171.7	-102.2	-116.4	127.5	0	0	111.6	E456 T464	E456-E460 PolarHBondContact O-N 3.31Å; E456-E460 VanDerWaalsContact O-N 3.16Å; E460-T464 VanDerWaalsContact O-CB 3.29Å; E460-T464 WeakPolarHBondContact O-CB 3.32Å; E460-T464 WeakPolarHBondContact O-CG2 3.23Å; E460-T464 PolarHBondContact O-N 2.74Å; E460-T464 PolarHBondContact O-OG1 2.93Å
461	K	57.4	Low	62.8	Low	85 Å²	85	127.3 Å²	127.3	37%	0.37	60%	0.602	S	S	.	*	H	α-helix	trans	-70	-35.5	176.2	-71.2	178.1	-157.4	104.2	0	111.8	E457 E458 E459 T464 K465	E457-K461 VanDerWaalsContact O-CD 3.32Å; E457-K461 WeakPolarHBondContact O-CD 3.47Å; E457-K461 VanDerWaalsContact O-CE 3.32Å; E457-K461 WeakPolarHBondContact O-CE 3.3Å; E457-K461 WeakPolarHBondContact O-CG 3.46Å; E457-K461 PolarHBondContact O-NZ 2.9Å; E457-K461 WeakPolarHBondContact OE2-CE 3.41Å; E457-K461 IonicContact OE2-NZ 3.24Å; E457-K461 PolarHBondContact OE2-NZ 3.16Å; E458-K461 CarbonylContact O-C 3.59Å; E458-K461 WeakPolarHBondContact O-CB 3.39Å; E458-K461 PolarHBondContact O-N 2.98Å; E459-K461 VanDerWaalsContact C-N 3.26Å; E459-K461 PolarHBondContact O-N 3.35Å; K461-T464 PolarHBondContact O-OG1 3.38Å; K461-K465 WeakPolarHBondContact O-CE 3.44Å; K461-K465 WeakPolarHBondContact O-CG 3.48Å; K461-K465 PolarHBondContact O-N 2.86Å
462	E	61.6	Low	63.9	Low	115 Å²	115	128.5 Å²	128.5	54%	0.537	60%	0.595	S	S	.	*	H	α-helix	trans	-72.4	-49.9	174.6	-168.2	95.7	-63.5	0	0	111.8	E458 E459 T464 K465 E466	E458-E462 PolarHBondContact O-N 2.85Å; E459-E462 PolarHBondContact O-N 2.92Å; E459-E462 VanDerWaalsContact O-N 3.15Å; E462-T464 VanDerWaalsContact C-N 3.28Å; E462-T464 PolarHBondContact O-N 2.77Å; E462-K465 CarbonylContact O-C 3.54Å; E462-K465 WeakPolarHBondContact O-CA 3.39Å; E462-K465 VanDerWaalsContact O-CB 3.29Å; E462-K465 WeakPolarHBondContact O-CB 3.48Å; E462-K465 PolarHBondContact O-N 3.16Å; E462-K465 IonicContact OE1-NZ 3.65Å; E462-K465 PolarHBondContact OE1-NZ 2.87Å; E462-E466 WeakPolarHBondContact O-CB 3.46Å; E462-E466 PolarHBondContact O-N 3.43Å
463	E	63	Low	65.2	Low	90 Å²	90	127.3 Å²	127.3	42%	0.421	58%	0.582	S	S	.	*	H	α-helix	trans	-66.4	-32.1	-177.8	-155.2	-131.6	175.9	0	0	111	E459 E466 K467	E459-E463 WeakPolarHBondContact O-CB 3.17Å; E459-E463 PolarHBondContact O-N 3.05Å; E463-E466 PolarHBondContact O-N 2.82Å; E463-K467 VanDerWaalsContact O-CB 3.26Å; E463-K467 WeakPolarHBondContact O-CB 3.43Å; E463-K467 VanDerWaalsContact O-CG 3.25Å; E463-K467 WeakPolarHBondContact O-CG 3.36Å; E463-K467 PolarHBondContact O-N 2.86Å; E463-K467 WeakPolarHBondContact OE1-CE 3.2Å; E463-K467 IonicContact OE1-NZ 2.77Å; E463-K467 PolarHBondContact OE1-NZ 2.98Å; E463-K467 VanDerWaalsContact OE2-CE 3.32Å; E463-K467 WeakPolarHBondContact OE2-CE 3.48Å; E463-K467 IonicContact OE2-NZ 2.56Å; E463-K467 PolarHBondContact OE2-NZ 3.43Å
464	T	69.4	Low	66.8	Low	45 Å²	45	127.5 Å²	127.5	28%	0.276	58%	0.576	S	S	.	*	H	α-helix	trans	-73.6	-28.2	169	63.6	0	0	0	0	114	E460 K461 E462 K468	E460-T464 VanDerWaalsContact O-CB 3.29Å; E460-T464 WeakPolarHBondContact O-CB 3.32Å; E460-T464 WeakPolarHBondContact O-CG2 3.23Å; E460-T464 PolarHBondContact O-N 2.74Å; E460-T464 PolarHBondContact O-OG1 2.93Å; K461-T464 PolarHBondContact O-OG1 3.38Å; E462-T464 VanDerWaalsContact C-N 3.28Å; E462-T464 PolarHBondContact O-N 2.77Å; T464-K468 WeakPolarHBondContact O-CB 3.19Å; T464-K468 WeakPolarHBondContact O-CD 3.4Å; T464-K468 WeakPolarHBondContact O-CG 3.03Å; T464-K468 PolarHBondContact O-N 2.79Å; T464-K468 VanDerWaalsContact O-N 3.11Å
465	K	73.1	Confident	68.1	Low	114 Å²	114	123 Å²	123	50%	0.496	56%	0.555	S	S	.	*	H	α-helix	trans	-64	-46.8	166.1	-72.2	166	-137.8	157	0	109.8	K461 E462 K468 E469	K461-K465 WeakPolarHBondContact O-CE 3.44Å; K461-K465 WeakPolarHBondContact O-CG 3.48Å; K461-K465 PolarHBondContact O-N 2.86Å; E462-K465 CarbonylContact O-C 3.54Å; E462-K465 WeakPolarHBondContact O-CA 3.39Å; E462-K465 VanDerWaalsContact O-CB 3.29Å; E462-K465 WeakPolarHBondContact O-CB 3.48Å; E462-K465 PolarHBondContact O-N 3.16Å; E462-K465 IonicContact OE1-NZ 3.65Å; E462-K465 PolarHBondContact OE1-NZ 2.87Å; K465-K468 CarbonylContact O-C 3.54Å; K465-K468 WeakPolarHBondContact O-CA 3.39Å; K465-K468 WeakPolarHBondContact O-CB 3.49Å; K465-K468 PolarHBondContact O-N 3.24Å; K465-K468 VanDerWaalsContact O-N 3.13Å; K465-E469 PolarHBondContact O-N 3.1Å
466	E	75.3	Confident	69	Low	83 Å²	83	119.8 Å²	119.8	39%	0.388	54%	0.543	S	S	.	.	H	α-helix	trans	-70.1	-40.2	-174.1	-153.8	-105.3	-179	0	0	111.5	E462 E463 K468 E469 K470	E462-E466 WeakPolarHBondContact O-CB 3.46Å; E462-E466 PolarHBondContact O-N 3.43Å; E463-E466 PolarHBondContact O-N 2.82Å; E466-K468 PolarHBondContact O-N 2.88Å; E466-E469 PolarHBondContact O-N 3.42Å; E466-K470 WeakPolarHBondContact O-CB 3.27Å; E466-K470 WeakPolarHBondContact O-CG 3.31Å; E466-K470 PolarHBondContact O-N 3.08Å; E466-K470 WeakPolarHBondContact OE1-CE 3.24Å; E466-K470 IonicContact OE1-NZ 2.68Å; E466-K470 PolarHBondContact OE1-NZ 3Å; E466-K470 WeakPolarHBondContact OE2-CD 3.39Å; E466-K470 WeakPolarHBondContact OE2-CE 3.47Å; E466-K470 IonicContact OE2-NZ 2.62Å; E466-K470 PolarHBondContact OE2-NZ 3.41Å
467	K	76.3	Confident	70.2	Confident	113 Å²	113	118 Å²	118	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-58.5	-42.2	166.2	-76.6	167.5	172.4	164	0	112.5	E463 K471	E463-K467 VanDerWaalsContact O-CB 3.26Å; E463-K467 WeakPolarHBondContact O-CB 3.43Å; E463-K467 VanDerWaalsContact O-CG 3.25Å; E463-K467 WeakPolarHBondContact O-CG 3.36Å; E463-K467 PolarHBondContact O-N 2.86Å; E463-K467 WeakPolarHBondContact OE1-CE 3.2Å; E463-K467 IonicContact OE1-NZ 2.77Å; E463-K467 PolarHBondContact OE1-NZ 2.98Å; E463-K467 VanDerWaalsContact OE2-CE 3.32Å; E463-K467 WeakPolarHBondContact OE2-CE 3.48Å; E463-K467 IonicContact OE2-NZ 2.56Å; E463-K467 PolarHBondContact OE2-NZ 3.43Å; K467-K471 WeakPolarHBondContact O-CB 2.97Å; K467-K471 PolarHBondContact O-N 3.39Å
468	K	75.8	Confident	71.6	Confident	132 Å²	132	118.7 Å²	118.7	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-65	-38.2	174.2	-75.1	161.6	-168.2	150.2	0	111.5	T464 K465 E466 K471 R472	T464-K468 WeakPolarHBondContact O-CB 3.19Å; T464-K468 WeakPolarHBondContact O-CD 3.4Å; T464-K468 WeakPolarHBondContact O-CG 3.03Å; T464-K468 PolarHBondContact O-N 2.79Å; T464-K468 VanDerWaalsContact O-N 3.11Å; K465-K468 CarbonylContact O-C 3.54Å; K465-K468 WeakPolarHBondContact O-CA 3.39Å; K465-K468 WeakPolarHBondContact O-CB 3.49Å; K465-K468 PolarHBondContact O-N 3.24Å; K465-K468 VanDerWaalsContact O-N 3.13Å; E466-K468 PolarHBondContact O-N 2.88Å; K468-K471 WeakPolarHBondContact O-CB 3.34Å; K468-K471 PolarHBondContact O-N 2.66Å; K468-R472 WeakPolarHBondContact O-CG 3.31Å; K468-R472 PolarHBondContact O-N 2.83Å
469	E	77.9	Confident	72.5	Confident	96 Å²	96	116.5 Å²	116.5	45%	0.449	53%	0.529	S	S	.	.	H	α-helix	trans	-74.3	-43.9	179.6	-151.8	-155	119.4	0	0	112.6	K465 E466 K471 R472 K473	K465-E469 PolarHBondContact O-N 3.1Å; E466-E469 PolarHBondContact O-N 3.42Å; E469-K471 PolarHBondContact O-N 2.77Å; E469-R472 CarbonylContact O-C 3.11Å; E469-R472 WeakPolarHBondContact O-CA 3.16Å; E469-R472 PolarHBondContact O-N 2.73Å; E469-K473 PolarHBondContact O-N 3.1Å; E469-K473 WeakPolarHBondContact OE1-CD 3.49Å; E469-K473 WeakPolarHBondContact OE1-CE 3.46Å; E469-K473 IonicContact OE1-NZ 3.18Å; E469-K473 PolarHBondContact OE1-NZ 3.37Å
470	K	81.2	Confident	73.2	Confident	120 Å²	120	113.4 Å²	113.4	52%	0.522	52%	0.517	S	S	.	.	H	α-helix	trans	-53.2	-40.8	169.8	-78.5	172.5	171.8	159	0	111	E466 K474	E466-K470 WeakPolarHBondContact O-CB 3.27Å; E466-K470 WeakPolarHBondContact O-CG 3.31Å; E466-K470 PolarHBondContact O-N 3.08Å; E466-K470 WeakPolarHBondContact OE1-CE 3.24Å; E466-K470 IonicContact OE1-NZ 2.68Å; E466-K470 PolarHBondContact OE1-NZ 3Å; E466-K470 WeakPolarHBondContact OE2-CD 3.39Å; E466-K470 WeakPolarHBondContact OE2-CE 3.47Å; E466-K470 IonicContact OE2-NZ 2.62Å; E466-K470 PolarHBondContact OE2-NZ 3.41Å; K470-K474 WeakPolarHBondContact O-CB 3.19Å; K470-K474 PolarHBondContact O-N 3.1Å
471	K	82.2	Confident	73.9	Confident	133 Å²	133	110.3 Å²	110.3	58%	0.578	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-46.8	172.3	-172.7	176.5	179.3	179.7	0	112.5	K467 K468 E469 K474 E475	K467-K471 WeakPolarHBondContact O-CB 2.97Å; K467-K471 PolarHBondContact O-N 3.39Å; K468-K471 WeakPolarHBondContact O-CB 3.34Å; K468-K471 PolarHBondContact O-N 2.66Å; E469-K471 PolarHBondContact O-N 2.77Å; K471-K474 PolarHBondContact O-N 3.14Å; K471-E475 WeakPolarHBondContact CE-OE1 3.26Å; K471-E475 PolarHBondContact O-N 3.49Å
472	R	75.2	Confident	74.2	Confident	181 Å²	181	115.1 Å²	115.1	68%	0.683	52%	0.521	S	S	*	.	H	α-helix	trans	-62.7	-40.8	177	-73.1	175.1	71.6	173.7	0.4	112.8	K468 E469 E475 N476	K468-R472 WeakPolarHBondContact O-CG 3.31Å; K468-R472 PolarHBondContact O-N 2.83Å; E469-R472 CarbonylContact O-C 3.11Å; E469-R472 WeakPolarHBondContact O-CA 3.16Å; E469-R472 PolarHBondContact O-N 2.73Å; R472-E475 PolarHBondContact O-N 2.65Å; R472-N476 WeakPolarHBondContact O-CB 3.36Å; R472-N476 PolarHBondContact O-N 3.1Å
473	K	80.6	Confident	74.2	Confident	137 Å²	137	115.2 Å²	115.2	60%	0.596	52%	0.524	S	S	*	.	H	α-helix	trans	-58.5	-49.2	172.6	-82.4	165.8	162.6	157.7	0	110.6	E469 E475 N476 E477	E469-K473 PolarHBondContact O-N 3.1Å; E469-K473 WeakPolarHBondContact OE1-CD 3.49Å; E469-K473 WeakPolarHBondContact OE1-CE 3.46Å; E469-K473 IonicContact OE1-NZ 3.18Å; E469-K473 PolarHBondContact OE1-NZ 3.37Å; K473-E475 PolarHBondContact O-N 3.09Å; K473-N476 PolarHBondContact O-N 3.38Å; K473-E477 WeakPolarHBondContact O-CB 3.49Å; K473-E477 PolarHBondContact O-N 3.13Å
474	K	80.9	Confident	74	Confident	142 Å²	142	117 Å²	117	62%	0.617	53%	0.53	S	S	*	.	H	α-helix	trans	-67.7	-29.9	179.1	-154.5	164.1	-168.4	166.3	0	113.8	K470 K471 K478	K470-K474 WeakPolarHBondContact O-CB 3.19Å; K470-K474 PolarHBondContact O-N 3.1Å; K471-K474 PolarHBondContact O-N 3.14Å; K474-K478 WeakPolarHBondContact O-CG 3.48Å; K474-K478 PolarHBondContact O-N 3.04Å; K474-K478 VanDerWaalsContact O-N 3.09Å
475	E	77.6	Confident	73.2	Confident	105 Å²	105	121.6 Å²	121.6	49%	0.491	55%	0.554	S	S	.	*	H	α-helix	trans	-74.9	-41.6	171.4	-76.9	-178.5	-167.7	0	0	112.6	K471 R472 K473 E477 K478 L479	K471-E475 WeakPolarHBondContact CE-OE1 3.26Å; K471-E475 PolarHBondContact O-N 3.49Å; R472-E475 PolarHBondContact O-N 2.65Å; K473-E475 PolarHBondContact O-N 3.09Å; E475-E477 VanDerWaalsContact C-N 3.33Å; E475-E477 PolarHBondContact O-N 3.42Å; E475-K478 PolarHBondContact O-N 2.86Å; E475-L479 WeakPolarHBondContact O-CG 3.47Å; E475-L479 PolarHBondContact O-N 3.47Å
476	N	74	Confident	71.8	Confident	111 Å²	111	123.8 Å²	123.8	59%	0.594	56%	0.563	S	S	*	*	H	α-helix	trans	-61.5	-40.8	172.1	-93.4	-17.7	0	0	0	111.5	R472 K473 L479 N480	R472-N476 WeakPolarHBondContact O-CB 3.36Å; R472-N476 PolarHBondContact O-N 3.1Å; K473-N476 PolarHBondContact O-N 3.38Å; N476-L479 CarbonylContact O-C 3.54Å; N476-L479 PolarHBondContact O-N 3.41Å; N476-N480 WeakPolarHBondContact O-CB 3.09Å; N476-N480 PolarHBondContact O-N 3.49Å
477	E	78.7	Confident	70.2	Confident	114 Å²	114	125 Å²	125	53%	0.533	58%	0.577	S	S	.	*	H	α-helix	trans	-63.4	-45.5	174.5	-171.8	-175.5	-164.8	0	0	111.7	K473 E475 L479 N480 N481	K473-E477 WeakPolarHBondContact O-CB 3.49Å; K473-E477 PolarHBondContact O-N 3.13Å; E475-E477 VanDerWaalsContact C-N 3.33Å; E475-E477 PolarHBondContact O-N 3.42Å; E477-L479 VanDerWaalsContact C-N 3.28Å; E477-L479 PolarHBondContact O-N 3.48Å; E477-N480 PolarHBondContact O-N 2.98Å; E477-N480 VanDerWaalsContact O-N 3.16Å; E477-N481 WeakPolarHBondContact O-CB 3.47Å; E477-N481 PolarHBondContact O-N 3.5Å
478	K	79.3	Confident	68.2	Low	145 Å²	145	129 Å²	129	63%	0.63	59%	0.59	S	S	*	*	H	α-helix	trans	-58.3	-37.9	171.7	-82	-179.1	175.4	-179.2	0	112.4	K474 E475 R482	K474-K478 WeakPolarHBondContact O-CG 3.48Å; K474-K478 PolarHBondContact O-N 3.04Å; K474-K478 VanDerWaalsContact O-N 3.09Å; E475-K478 PolarHBondContact O-N 2.86Å; K478-R482 WeakPolarHBondContact O-CB 3.49Å; K478-R482 VanDerWaalsContact O-CG 3.24Å; K478-R482 WeakPolarHBondContact O-CG 3.26Å; K478-R482 PolarHBondContact O-N 3.11Å
479	L	72.1	Confident	66.4	Low	97 Å²	97	127 Å²	127	51%	0.508	59%	0.59	S	S	.	*	H	α-helix	trans	-69.8	-40.4	174.4	-73.6	172.2	0	0	0	112.1	E475 N476 E477 R482 L483	E475-L479 WeakPolarHBondContact O-CG 3.47Å; E475-L479 PolarHBondContact O-N 3.47Å; N476-L479 CarbonylContact O-C 3.54Å; N476-L479 PolarHBondContact O-N 3.41Å; E477-L479 VanDerWaalsContact C-N 3.28Å; E477-L479 PolarHBondContact O-N 3.48Å; L479-R482 CarbonylContact O-C 3.46Å; L479-R482 PolarHBondContact O-N 3.48Å; L479-L483 WeakPolarHBondContact O-CB 3.39Å; L479-L483 VanDerWaalsContact O-CG 3.29Å; L479-L483 WeakPolarHBondContact O-CG 3.46Å; L479-L483 PolarHBondContact O-N 3.05Å
480	N	69.9	Low	64.5	Low	90 Å²	90	127.2 Å²	127.2	48%	0.481	60%	0.598	S	S	.	*	H	α-helix	trans	-68.9	-38.7	179.9	-151	8.5	0	0	0	111.1	N476 E477 L483 K484	N476-N480 WeakPolarHBondContact O-CB 3.09Å; N476-N480 PolarHBondContact O-N 3.49Å; E477-N480 PolarHBondContact O-N 2.98Å; E477-N480 VanDerWaalsContact O-N 3.16Å; N480-L483 CarbonylContact O-C 3.57Å; N480-L483 PolarHBondContact O-N 2.82Å; N480-L483 VanDerWaalsContact O-N 3.17Å; N480-K484 WeakPolarHBondContact O-CG 3.48Å; N480-K484 PolarHBondContact O-N 2.89Å
481	N	69.9	Low	62.4	Low	69 Å²	69	127.6 Å²	127.6	37%	0.369	61%	0.605	S	S	.	*	H	α-helix	trans	-70.6	-34.7	172.2	-68.7	-19	0	0	0	111.9	E477 L483 K484 N485	E477-N481 WeakPolarHBondContact O-CB 3.47Å; E477-N481 PolarHBondContact O-N 3.5Å; N481-L483 VanDerWaalsContact C-N 3.28Å; N481-L483 PolarHBondContact O-N 2.83Å; N481-K484 PolarHBondContact O-N 3.36Å; N481-N485 WeakPolarHBondContact O-CB 3.01Å; N481-N485 VanDerWaalsContact O-CG 3.23Å; N481-N485 PolarHBondContact O-N 3.16Å; N481-N485 PolarHBondContact O-OD1 2.91Å
482	R	64.7	Low	60.3	Low	186 Å²	186	124.8 Å²	124.8	70%	0.702	60%	0.602	S	S	*	*	H	α-helix	trans	-66.3	-27	167.7	-74.7	178.4	92.8	165.3	9.5	113.1	K478 L479 N485 F486	K478-R482 WeakPolarHBondContact O-CB 3.49Å; K478-R482 VanDerWaalsContact O-CG 3.24Å; K478-R482 WeakPolarHBondContact O-CG 3.26Å; K478-R482 PolarHBondContact O-N 3.11Å; L479-R482 CarbonylContact O-C 3.46Å; L479-R482 PolarHBondContact O-N 3.48Å; R482-N485 CarbonylContact O-C 3.59Å; R482-F486 WeakPolarHBondContact O-CB 3.46Å; R482-F486 PolarHBondContact O-N 3.42Å
483	L	60.8	Low	58.5	Low	117 Å²	117	122 Å²	122	61%	0.613	60%	0.601	S	S	*	*	H	α-helix	trans	-79.9	-38.1	174.7	-76.1	164.1	0	0	0	112.4	L479 N480 N481 N485 F486 T487	L479-L483 WeakPolarHBondContact O-CB 3.39Å; L479-L483 VanDerWaalsContact O-CG 3.29Å; L479-L483 WeakPolarHBondContact O-CG 3.46Å; L479-L483 PolarHBondContact O-N 3.05Å; N480-L483 CarbonylContact O-C 3.57Å; N480-L483 PolarHBondContact O-N 2.82Å; N480-L483 VanDerWaalsContact O-N 3.17Å; N481-L483 VanDerWaalsContact C-N 3.28Å; N481-L483 PolarHBondContact O-N 2.83Å; L483-N485 VanDerWaalsContact C-N 3.3Å; L483-N485 PolarHBondContact O-N 3.25Å; L483-F486 CarbonylContact O-C 3.25Å; L483-F486 VanDerWaalsContact O-CA 3.31Å; L483-F486 WeakPolarHBondContact O-CA 3.47Å; L483-F486 PolarHBondContact O-N 2.93Å; L483-T487 PolarHBondContact O-N 2.81Å
484	K	60	Low	56.5	Low	126 Å²	126	122.2 Å²	122.2	55%	0.548	61%	0.607	S	S	.	*	H	α-helix	trans	-59.9	-41.3	167.6	-70.9	173.5	-178.7	177.3	0	111	N480 N481 F486 T487	N480-K484 WeakPolarHBondContact O-CG 3.48Å; N480-K484 PolarHBondContact O-N 2.89Å; N481-K484 PolarHBondContact O-N 3.36Å; K484-F486 PolarHBondContact O-N 3.05Å; K484-T487 WeakPolarHBondContact O-CB 3.41Å; K484-T487 PolarHBondContact O-N 2.91Å; K484-T487 PolarHBondContact O-OG1 3.05Å
485	N	51.6	Low	54.4	Low	143 Å²	143	124.3 Å²	124.3	77%	0.765	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-6.5	172.7	-63.7	8.7	0	0	0	113.4	N481 R482 L483	N481-N485 WeakPolarHBondContact O-CB 3.01Å; N481-N485 VanDerWaalsContact O-CG 3.23Å; N481-N485 PolarHBondContact O-N 3.16Å; N481-N485 PolarHBondContact O-OD1 2.91Å; R482-N485 CarbonylContact O-C 3.59Å; L483-N485 VanDerWaalsContact C-N 3.3Å; L483-N485 PolarHBondContact O-N 3.25Å
486	F	43.4	Very low	52.3	Low	160 Å²	160	122.4 Å²	122.4	70%	0.702	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	26.9	164.5	-105.2	-88.7	0	0	0	111.7	R482 L483 K484 Y488	R482-F486 WeakPolarHBondContact O-CB 3.46Å; R482-F486 PolarHBondContact O-N 3.42Å; L483-F486 CarbonylContact O-C 3.25Å; L483-F486 VanDerWaalsContact O-CA 3.31Å; L483-F486 WeakPolarHBondContact O-CA 3.47Å; L483-F486 PolarHBondContact O-N 2.93Å; K484-F486 PolarHBondContact O-N 3.05Å; F486-Y488 PolarHBondContact O-N 2.91Å; F486-Y488 VanDerWaalsContact O-N 3.09Å
487	T	42.6	Very low	50.6	Low	109 Å²	109	125.5 Å²	125.5	67%	0.669	62%	0.617	S	S	*	*			trans	-52.6	118	155.9	-64.2	0	0	0	0	107	L483 K484	L483-T487 PolarHBondContact O-N 2.81Å; K484-T487 WeakPolarHBondContact O-CB 3.41Å; K484-T487 PolarHBondContact O-N 2.91Å; K484-T487 PolarHBondContact O-OG1 3.05Å
488	Y	33.8	Very low	48.5	Very low	195 Å²	195	128.4 Å²	128.4	77%	0.765	63%	0.63	S	S	*	*			trans	-56.3	144.7	180	-81.6	-108	0	0	0	109.3	F486 T490	F486-Y488 PolarHBondContact O-N 2.91Å; F486-Y488 VanDerWaalsContact O-N 3.09Å; Y488-T490 PolarHBondContact O-N 2.78Å
489	P	37.9	Very low	46.5	Very low	90 Å²	90	128.7 Å²	128.7	58%	0.584	63%	0.634	S	S	*	*			trans	-65.4	87.4	159.9	29.2	-32.5	0	0	0	107.9	I491	P489-I491 PolarHBondContact O-N 3.39Å
490	T	38.5	Very low	44.7	Very low	101 Å²	101	131.4 Å²	131.4	62%	0.62	64%	0.641	S	S	*	*			trans	-49.7	126.4	166	-62.2	0	0	0	0	106.9	Y488 S492 N493	Y488-T490 PolarHBondContact O-N 2.78Å; T490-S492 PolarHBondContact O-N 2.96Å; T490-N493 PolarHBondContact O-N 2.83Å
491	I	37.2	Very low	42.9	Very low	129 Å²	129	138.9 Å²	138.9	66%	0.662	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-18.7	-157.5	-68.5	172.1	0	0	0	113.2	P489 N493 L494	P489-I491 PolarHBondContact O-N 3.39Å; I491-N493 PolarHBondContact O-N 3.29Å; I491-L494 PolarHBondContact O-N 3.05Å
492	S	38.2	Very low	41.3	Very low	73 Å²	73	141.6 Å²	141.6	51%	0.51	68%	0.682	S	S	.	*	H	α-helix	trans	-45.8	-40.1	165.9	-164.1	0	0	0	0	114.6	T490 L494 Y495 N496	T490-S492 PolarHBondContact O-N 2.96Å; S492-L494 PolarHBondContact O-N 3.19Å; S492-Y495 PolarHBondContact O-N 3.06Å; S492-N496 PolarHBondContact O-ND2 2.9Å
493	N	37.9	Very low	39.8	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	69%	0.686	S	S	*	*	H	α-helix	trans	-79.4	-12.5	-174.4	-79.1	7.4	0	0	0	114.9	T490 I491	T490-N493 PolarHBondContact O-N 2.83Å; I491-N493 PolarHBondContact O-N 3.29Å
494	L	37.8	Very low	38.5	Very low	140 Å²	140	136.4 Å²	136.4	73%	0.733	68%	0.684	S	S	*	*	H	α-helix	trans	-96.2	-9.2	173.7	-89.7	162.5	0	0	0	113.5	I491 S492	I491-L494 PolarHBondContact O-N 3.05Å; S492-L494 PolarHBondContact O-N 3.19Å
495	Y	36	Very low	37.3	Very low	187 Å²	187	139.1 Å²	139.1	73%	0.733	70%	0.696	S	S	*	*	H	α-helix	trans	-91.5	-18.9	173.8	-146.1	-107.9	0	0	0	112.8	S492	S492-Y495 PolarHBondContact O-N 3.06Å
496	N	35.3	Very low	36.4	Very low	65 Å²	65	141 Å²	141	35%	0.348	70%	0.7	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	-10.5	-171.1	-93.2	-87.6	0	0	0	115.8	S492 K500	S492-N496 PolarHBondContact O-ND2 2.9Å; N496-K500 WeakPolarHBondContact OD1-CE 3.18Å; N496-K500 PolarHBondContact OD1-NZ 3Å
497	H	36.4	Very low	35.9	Very low	175 Å²	175	144.8 Å²	144.8	81%	0.81	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-9.4	-175.9	-155.1	-59.3	0	0	0	114
498	H	35.3	Very low	35.5	Very low	176 Å²	176	149.3 Å²	149.3	82%	0.815	72%	0.716	S	S	*	*	S	Bend	trans	-108.1	-4.7	-178.1	-114.3	-76.7	0	0	0	115.2
499	Q	37	Very low	35.5	Very low	151 Å²	151	146.6 Å²	146.6	71%	0.706	71%	0.71	S	S	*	*	S	Bend	trans	-128.7	26.9	-173	-68.8	-71.9	67.5	0	0	113.7
500	K	34.8	Very low	35.1	Very low	154 Å²	154	147.6 Å²	147.6	67%	0.67	72%	0.719	S	S	*	*			trans	-120.8	49.1	-179.1	-77.6	-177.6	170.4	167.8	0	114.6	N496	N496-K500 WeakPolarHBondContact OD1-CE 3.18Å; N496-K500 PolarHBondContact OD1-NZ 3Å
501	R	32.3	Very low	35.1	Very low	247 Å²	247	148 Å²	148	93%	0.932	73%	0.726	S	S	*	*	S	Bend	trans	-138.5	68.8	144.3	-75.3	-175.6	172.3	-173.1	-2.8	105.4
502	T	35.9	Very low	35	Very low	126 Å²	126	151.9 Å²	151.9	77%	0.773	74%	0.738	S	S	*	*	S	Bend		-140.6	175.3	88.5	42.4	0	0	0	0	115.2
503	S	32.3	Very low	35.1	Very low	114 Å²	114	156.9 Å²	156.9	80%	0.797	75%	0.753	S	S	*	*			trans	-40.5	158.1	157.1	-96	0	0	0	0	114.5
504	S	33.7	Very low	35	Very low	80 Å²	80	158.2 Å²	158.2	56%	0.559	76%	0.759	S	S	*	*			cis	-174.4	153.7	-3.2	143.5	0	0	0	0	109.9
505	K	35.9	Very low	35	Very low	183 Å²	183	156.8 Å²	156.8	80%	0.796	75%	0.752	S	S	*	*			trans	63.2	119.8	162.7	-71.2	163.8	-164.4	180	0	116.6
506	H	32.9	Very low	35.5	Very low	183 Å²	183	155 Å²	155	85%	0.847	76%	0.755	S	S	*	*				63.4	103.6	89.3	-81.1	-90.8	0	0	0	115
507	Y	32.2	Very low	36	Very low	238 Å²	238	160 Å²	160	93%	0.933	78%	0.776	S	S	*	*				-150.7	165.8	125.9	-134	-98.7	0	0	0	110.9
508	R	33.8	Very low	36.3	Very low	204 Å²	204	157.5 Å²	157.5	77%	0.77	77%	0.765	S	S	*	*			trans	-153.1	138.3	-171.3	-177.8	-164.1	166.3	-167.2	-9	111.3
509	E	33.8	Very low	36.8	Very low	139 Å²	139	151.8 Å²	151.8	65%	0.65	75%	0.745	S	S	*	*			trans	66.6	154.7	168.3	-113.7	70.2	-92.3	0	0	117.8
510	S	29.5	Very low	37.5	Very low	110 Å²	110	152.7 Å²	152.7	77%	0.769	74%	0.742	S	S	*	*			trans	58.3	94.1	158.6	-162.5	0	0	0	0	119.8
511	S	39.2	Very low	37.5	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	72%	0.723	S	S	*	*				-157.9	160.4	103.7	-103.7	0	0	0	0	111.3
512	K	35.6	Very low	38.1	Very low	211 Å²	211	140.6 Å²	140.6	92%	0.917	70%	0.702	S	S	*	*			trans	-103.1	98.5	-179.1	-68.6	179.2	-177.1	175.7	0	110.3
513	E	39.1	Very low	38.7	Very low	178 Å²	178	140.9 Å²	140.9	83%	0.832	69%	0.692	S	S	*	*			trans	-111.4	125	163.4	-71.9	177.2	-175.5	0	0	108.7	N515	E513-N515 PolarHBondContact O-N 2.96Å; E513-N515 VanDerWaalsContact O-N 3.13Å
514	I	35.5	Very low	39.5	Very low	152 Å²	152	141.9 Å²	141.9	78%	0.779	68%	0.684	S	S	*	*			trans	-80.1	94.6	174.8	-63.4	173.2	0	0	0	106.2	D516	I514-D516 PolarHBondContact O-N 3.25Å
515	N	38.8	Very low	40.1	Very low	109 Å²	109	140.9 Å²	140.9	58%	0.583	67%	0.672	S	S	*	*			trans	-80.3	100.6	176.9	-177.8	-15	0	0	0	109.4	E513 Q517 E518	E513-N515 PolarHBondContact O-N 2.96Å; E513-N515 VanDerWaalsContact O-N 3.13Å; N515-Q517 PolarHBondContact O-N 2.81Å; N515-Q517 WeakPolarHBondContact OD1-CB 3.35Å; N515-Q517 PolarHBondContact OD1-N 2.97Å; N515-E518 PolarHBondContact O-N 2.77Å
516	D	45.8	Very low	41.2	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-3	-179.3	-63	-45.4	0	0	0	114.6	I514	I514-D516 PolarHBondContact O-N 3.25Å
517	Q	46	Very low	42.4	Very low	169 Å²	169	131.4 Å²	131.4	79%	0.79	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-3.2	169	-56.7	-158	13.5	0	0	114.3	N515 S519	N515-Q517 PolarHBondContact O-N 2.81Å; N515-Q517 WeakPolarHBondContact OD1-CB 3.35Å; N515-Q517 PolarHBondContact OD1-N 2.97Å; Q517-S519 PolarHBondContact O-N 3.22Å
518	E	43.8	Very low	43.7	Very low	122 Å²	122	126.1 Å²	126.1	57%	0.57	61%	0.609	S	S	*	*	S	Bend	trans	-72.3	111.7	173.2	178.5	132.9	-83.9	0	0	110.8	N515 W520 K523	N515-E518 PolarHBondContact O-N 2.77Å; E518-W520 PolarHBondContact O-N 3.4Å; E518-K523 VanDerWaalsContact CD-CE 3.48Å; E518-K523 WeakPolarHBondContact OE1-CE 3.27Å; E518-K523 IonicContact OE1-NZ 2.72Å; E518-K523 PolarHBondContact OE1-NZ 3Å; E518-K523 WeakPolarHBondContact OE2-CE 3.09Å; E518-K523 IonicContact OE2-NZ 3.8Å; E518-K523 PolarHBondContact OE2-NZ 3.3Å
519	S	45	Very low	44.9	Very low	56 Å²	56	119 Å²	119	39%	0.392	59%	0.585	S	S	.	*			trans	-47.3	112.6	177.4	-86.3	0	0	0	0	113.1	Q517 W521	Q517-S519 PolarHBondContact O-N 3.22Å; S519-W521 PolarHBondContact O-N 3.38Å
520	W	52.4	Low	46.1	Very low	170 Å²	170	117.6 Å²	117.6	64%	0.644	58%	0.575	S	S	*	*	S	Bend	trans	-55.3	-20.4	-179.7	66.2	-98.5	0	0	0	115.1	L204 E518	L204-W520 HydrophobicContact CD1-CZ2 4.23Å; E518-W520 PolarHBondContact O-N 3.4Å
521	W	34.8	Very low	47.8	Very low	72 Å²	72	118.9 Å²	118.9	27%	0.273	57%	0.566	S	S	.	*	S	Bend	trans	-68.3	125.9	176.1	-42.6	81.5	0	0	0	111.2	N222 S519 K523 T526	N222-W521 HydrophobicContact CB-CZ2 4.44Å; N222-W521 PolarHBondContact ND2-NE1 3.31Å; S519-W521 PolarHBondContact O-N 3.38Å; W521-K523 PolarHBondContact O-N 3.48Å; W521-K523 VanDerWaalsContact O-N 3.1Å; W521-T526 HydrophobicContact CB-CG2 4.36Å
522	P	44.1	Very low	48.8	Very low	75 Å²	75	115.2 Å²	115.2	49%	0.487	54%	0.538	S	S	.	.			trans	-53.4	121.4	177	-29.9	36.6	0	0	0	112.5	H524 L525	P522-H524 VanDerWaalsContact CB-CE1 3.49Å; P522-H524 WeakPolarHBondContact CB-CE1 3.31Å; P522-H524 WeakPolarHBondContact CB-ND1 3.42Å; P522-H524 PolarHBondContact O-N 3.03Å; P522-L525 PolarHBondContact O-N 3.37Å
523	K	49.1	Very low	50	Low	132 Å²	132	106.7 Å²	106.7	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-51	-9.4	-173.9	-64.3	171.3	178.1	168.5	0	116.4	E518 W521 T526 K527	E518-K523 VanDerWaalsContact CD-CE 3.48Å; E518-K523 WeakPolarHBondContact OE1-CE 3.27Å; E518-K523 IonicContact OE1-NZ 2.72Å; E518-K523 PolarHBondContact OE1-NZ 3Å; E518-K523 WeakPolarHBondContact OE2-CE 3.09Å; E518-K523 IonicContact OE2-NZ 3.8Å; E518-K523 PolarHBondContact OE2-NZ 3.3Å; W521-K523 PolarHBondContact O-N 3.48Å; W521-K523 VanDerWaalsContact O-N 3.1Å; K523-T526 PolarHBondContact O-OG1 2.88Å; K523-K527 VanDerWaalsContact O-CB 3.23Å; K523-K527 WeakPolarHBondContact O-CB 3.48Å
524	H	49.2	Very low	50.7	Low	135 Å²	135	102.9 Å²	102.9	63%	0.625	48%	0.48	S	S	*	.	H	α-helix	trans	-84.8	-27	173.3	73.9	-92.2	0	0	0	113.8	P522 R528	P522-H524 VanDerWaalsContact CB-CE1 3.49Å; P522-H524 WeakPolarHBondContact CB-CE1 3.31Å; P522-H524 WeakPolarHBondContact CB-ND1 3.42Å; P522-H524 PolarHBondContact O-N 3.03Å; H524-R528 WeakPolarHBondContact O-CB 3.44Å; H524-R528 PolarHBondContact O-N 2.8Å
525	L	46.5	Very low	52	Low	59 Å²	59	98.3 Å²	98.3	31%	0.309	46%	0.459	S	S	.	.	H	α-helix	trans	-75.1	-50.3	-179.3	-158.2	75.1	0	0	0	110	M201 P522 K527 R528 M529	M201-L525 HydrophobicContact CE-CD2 4.34Å; P522-L525 PolarHBondContact O-N 3.37Å; L525-K527 VanDerWaalsContact C-N 3.33Å; L525-K527 PolarHBondContact O-N 2.89Å; L525-R528 PolarHBondContact O-N 3.02Å; L525-R528 VanDerWaalsContact O-N 3.08Å; L525-M529 WeakPolarHBondContact O-CG 3.48Å; L525-M529 PolarHBondContact O-N 3.48Å
526	T	58.9	Low	52.8	Low	26 Å²	26	96.9 Å²	96.9	16%	0.16	46%	0.455	C	S	.	.	H	α-helix	trans	-56.8	-44.4	171.1	52.8	0	0	0	0	111.5	W521 K523 R528 M529 Y530	W521-T526 HydrophobicContact CB-CG2 4.36Å; K523-T526 PolarHBondContact O-OG1 2.88Å; T526-R528 VanDerWaalsContact C-N 3.31Å; T526-R528 PolarHBondContact O-N 3.29Å; T526-M529 PolarHBondContact O-N 2.93Å; T526-Y530 VanDerWaalsContact O-CB 3.26Å; T526-Y530 WeakPolarHBondContact O-CB 3.36Å; T526-Y530 PolarHBondContact O-N 2.88Å
527	K	57.4	Low	53.3	Low	142 Å²	142	94 Å²	94	62%	0.617	45%	0.446	S	S	*	.	H	α-helix	trans	-64.7	-30.3	175.9	-170.2	162.9	-171.1	161.2	0	113.6	K523 L525 K531	K523-K527 VanDerWaalsContact O-CB 3.23Å; K523-K527 WeakPolarHBondContact O-CB 3.48Å; L525-K527 VanDerWaalsContact C-N 3.33Å; L525-K527 PolarHBondContact O-N 2.89Å; K527-K531 WeakPolarHBondContact O-CB 3.31Å; K527-K531 PolarHBondContact O-N 3.19Å; K527-K531 VanDerWaalsContact O-N 3.1Å
528	R	60.2	Low	53.9	Low	127 Å²	127	87.1 Å²	87.1	48%	0.479	41%	0.413	S	S	.	.	H	α-helix	trans	-72.6	-47.4	170.5	178.9	175.2	166.8	-153.5	-17.8	111.3	H524 L525 T526 Y530 K531 D532 E631	H524-R528 WeakPolarHBondContact O-CB 3.44Å; H524-R528 PolarHBondContact O-N 2.8Å; L525-R528 PolarHBondContact O-N 3.02Å; L525-R528 VanDerWaalsContact O-N 3.08Å; T526-R528 VanDerWaalsContact C-N 3.31Å; T526-R528 PolarHBondContact O-N 3.29Å; R528-Y530 VanDerWaalsContact C-N 3.32Å; R528-Y530 PolarHBondContact O-N 2.97Å; R528-K531 PolarHBondContact O-N 3.15Å; R528-K531 VanDerWaalsContact O-N 3.16Å; R528-D532 WeakPolarHBondContact CG-OD2 3.19Å; R528-D532 IonicContact CZ-OD2 3.05Å; R528-D532 IonicContact NE-OD2 2.73Å; R528-D532 PolarHBondContact NE-OD2 3.39Å; R528-D532 IonicContact NH2-OD2 2.65Å; R528-D532 PolarHBondContact NH2-OD2 3.1Å; R528-D532 WeakPolarHBondContact O-CB 3.45Å; R528-D532 PolarHBondContact O-N 3.05Å; R528-E631 IonicContact NH2-OE1 2.63Å
529	M	57.9	Low	54.4	Low	54 Å²	54	84 Å²	84	27%	0.266	40%	0.4	S	S	.	.	H	α-helix	trans	-58.9	-44.3	177.7	-68.5	171.5	70.3	0	0	111.2	L525 T526 D532 F533 W633	L525-M529 WeakPolarHBondContact O-CG 3.48Å; L525-M529 PolarHBondContact O-N 3.48Å; T526-M529 PolarHBondContact O-N 2.93Å; M529-D532 PolarHBondContact O-N 3.21Å; M529-F533 WeakPolarHBondContact O-CB 3.36Å; M529-F533 PolarHBondContact O-N 3.1Å; M529-W633 HydrophobicContact CB-CH2 4.12Å; M529-W633 HydrophobicContact CB-CZ3 4.27Å; M529-W633 HydrophobicContact CE-CD2 4.36Å; M529-W633 HydrophobicContact CE-CE3 3.92Å; M529-W633 HydrophobicContact CE-CZ3 4.09Å; M529-W633 HydrophobicContact CG-CH2 3.83Å; M529-W633 HydrophobicContact CG-CZ2 4.15Å; M529-W633 HydrophobicContact CG-CZ3 4.13Å
530	Y	60.3	Low	54.7	Low	109 Å²	109	85.9 Å²	85.9	43%	0.427	41%	0.413	S	S	.	.	H	α-helix	trans	-57.2	-49.6	172.5	-173.9	-81.1	0	0	0	111.5	T526 R528 F533 Y534	T526-Y530 VanDerWaalsContact O-CB 3.26Å; T526-Y530 WeakPolarHBondContact O-CB 3.36Å; T526-Y530 PolarHBondContact O-N 2.88Å; R528-Y530 VanDerWaalsContact C-N 3.32Å; R528-Y530 PolarHBondContact O-N 2.97Å; Y530-F533 WeakPolarHBondContact O-CB 3.48Å; Y530-F533 PolarHBondContact O-N 3.4Å; Y530-Y534 AromaticContact CD1-CD2 3.69Å; Y530-Y534 HydrophobicContact CD1-CD2 3.69Å; Y530-Y534 HydrophobicContact CD1-CE2 4.22Å; Y530-Y534 AromaticContact CD2-CD2 3.95Å; Y530-Y534 HydrophobicContact CD2-CD2 3.95Å; Y530-Y534 AromaticContact CD2-CE2 3.65Å; Y530-Y534 HydrophobicContact CD2-CE2 3.65Å; Y530-Y534 AromaticContact CE1-CD2 3.52Å; Y530-Y534 HydrophobicContact CE1-CD2 3.52Å; Y530-Y534 AromaticContact CE1-CE2 3.91Å; Y530-Y534 HydrophobicContact CE1-CE2 3.91Å; Y530-Y534 HydrophobicContact CE1-CG 4.32Å; Y530-Y534 AromaticContact CE2-CD2 3.8Å; Y530-Y534 HydrophobicContact CE2-CD2 3.8Å; Y530-Y534 AromaticContact CE2-CE2 3.3Å; Y530-Y534 HydrophobicContact CE2-CE2 3.3Å; Y530-Y534 AromaticContact CG-CD2 3.88Å; Y530-Y534 HydrophobicContact CG-CD2 3.88Å; Y530-Y534 HydrophobicContact CG-CE2 4.09Å; Y530-Y534 AromaticContact CZ-CD2 3.57Å; Y530-Y534 AromaticContact CZ-CE2 3.43Å; Y530-Y534 VanDerWaalsContact CZ-CE2 3.43Å; Y530-Y534 VanDerWaalsContact O-CD2 3.31Å; Y530-Y534 WeakPolarHBondContact O-CD2 3.27Å; Y530-Y534 PolarHBondContact O-N 3.05Å
531	K	64.5	Low	54.7	Low	137 Å²	137	79.4 Å²	79.4	60%	0.596	39%	0.391	S	S	*	.	H	α-helix	trans	-64.7	-46.1	178.2	-176.3	172.4	-179.8	174.8	0	112.5	K527 R528 F533 T535	K527-K531 WeakPolarHBondContact O-CB 3.31Å; K527-K531 PolarHBondContact O-N 3.19Å; K527-K531 VanDerWaalsContact O-N 3.1Å; R528-K531 PolarHBondContact O-N 3.15Å; R528-K531 VanDerWaalsContact O-N 3.16Å; K531-F533 VanDerWaalsContact C-N 3.25Å; K531-F533 PolarHBondContact O-N 3.24Å; K531-T535 HydrophobicContact CG-CG2 3.93Å; K531-T535 WeakPolarHBondContact O-CB 3.5Å; K531-T535 WeakPolarHBondContact O-CG2 3.5Å; K531-T535 PolarHBondContact O-N 3Å; K531-T535 PolarHBondContact O-OG1 3.46Å
532	D	61.2	Low	55.5	Low	33 Å²	33	83.3 Å²	83.3	18%	0.176	41%	0.41	C	S	.	.	H	α-helix	trans	-63.3	-35.3	180	-71.6	-7.4	0	0	0	109.7	R528 M529 T535 W538 W633	R528-D532 WeakPolarHBondContact CG-OD2 3.19Å; R528-D532 IonicContact CZ-OD2 3.05Å; R528-D532 IonicContact NE-OD2 2.73Å; R528-D532 PolarHBondContact NE-OD2 3.39Å; R528-D532 IonicContact NH2-OD2 2.65Å; R528-D532 PolarHBondContact NH2-OD2 3.1Å; R528-D532 WeakPolarHBondContact O-CB 3.45Å; R528-D532 PolarHBondContact O-N 3.05Å; M529-D532 PolarHBondContact O-N 3.21Å; D532-T535 PolarHBondContact O-OG1 2.96Å; D532-W538 PolarHBondContact O-NE1 2.84Å; D532-W633 HydrophobicContact CB-CH2 4.5Å
533	F	59	Low	56	Low	32 Å²	32	82.1 Å²	82.1	14%	0.14	40%	0.403	C	S	.	.	H	α-helix	trans	-64	-64.1	171.1	-178.1	-90.6	0	0	0	112.8	Y223 M529 Y530 K531 T535 T536 L637 Q641	Y223-F533 HydrophobicContact CE2-CD1 4.01Å; Y223-F533 AromaticContact CE2-CD2 3.88Å; Y223-F533 HydrophobicContact CE2-CD2 3.88Å; Y223-F533 AromaticContact CE2-CE1 3.94Å; Y223-F533 HydrophobicContact CE2-CE1 3.94Å; Y223-F533 AromaticContact CE2-CE2 3.76Å; Y223-F533 HydrophobicContact CE2-CE2 3.76Å; Y223-F533 AromaticContact CE2-CG 3.97Å; Y223-F533 HydrophobicContact CE2-CG 3.97Å; Y223-F533 AromaticContact CE2-CZ 3.79Å; Y223-F533 HydrophobicContact CE2-CZ 3.79Å; Y223-F533 AromaticContact CZ-CE1 3.82Å; Y223-F533 AromaticContact CZ-CZ 3.92Å; Y223-F533 WeakPolarHBondContact OH-CD1 3.45Å; Y223-F533 WeakPolarHBondContact OH-CE1 3.45Å; Y223-F533 WeakPolarHBondContact OH-CZ 3.39Å; M529-F533 WeakPolarHBondContact O-CB 3.36Å; M529-F533 PolarHBondContact O-N 3.1Å; Y530-F533 WeakPolarHBondContact O-CB 3.48Å; Y530-F533 PolarHBondContact O-N 3.4Å; K531-F533 VanDerWaalsContact C-N 3.25Å; K531-F533 PolarHBondContact O-N 3.24Å; F533-T535 VanDerWaalsContact C-N 3.28Å; F533-T535 PolarHBondContact O-N 2.91Å; F533-T536 PolarHBondContact O-N 3.01Å; F533-T536 VanDerWaalsContact O-N 3.16Å; F533-L637 HydrophobicContact CD2-CD2 3.59Å; F533-L637 HydrophobicContact CD2-CG 4.19Å; F533-L637 HydrophobicContact CE2-CD1 4.23Å; F533-L637 HydrophobicContact CE2-CD2 3.86Å; F533-L637 HydrophobicContact CE2-CG 4.04Å; F533-Q641 VanDerWaalsContact CE2-OE1 3.23Å; F533-Q641 VanDerWaalsContact CZ-NE2 3.28Å
534	Y	55.4	Low	56.4	Low	98 Å²	98	76.5 Å²	76.5	38%	0.384	38%	0.38	S	S	.	.	H	α-helix	trans	-67.5	-23.2	-172.5	-80.4	-77.4	0	0	0	114.2	Y223 N228 Y530 T536	Y223-Y534 WeakPolarHBondContact OH-CE2 3.4Å; Y223-Y534 VanDerWaalsContact OH-CZ 3.31Å; Y223-Y534 PolarHBondContact OH-OH 2.94Å; N228-Y534 VanDerWaalsContact CG-OH 3.29Å; N228-Y534 PolarHBondContact ND2-OH 3.44Å; N228-Y534 PolarHBondContact OD1-OH 3.21Å; Y530-Y534 AromaticContact CD1-CD2 3.69Å; Y530-Y534 HydrophobicContact CD1-CD2 3.69Å; Y530-Y534 HydrophobicContact CD1-CE2 4.22Å; Y530-Y534 AromaticContact CD2-CD2 3.95Å; Y530-Y534 HydrophobicContact CD2-CD2 3.95Å; Y530-Y534 AromaticContact CD2-CE2 3.65Å; Y530-Y534 HydrophobicContact CD2-CE2 3.65Å; Y530-Y534 AromaticContact CE1-CD2 3.52Å; Y530-Y534 HydrophobicContact CE1-CD2 3.52Å; Y530-Y534 AromaticContact CE1-CE2 3.91Å; Y530-Y534 HydrophobicContact CE1-CE2 3.91Å; Y530-Y534 HydrophobicContact CE1-CG 4.32Å; Y530-Y534 AromaticContact CE2-CD2 3.8Å; Y530-Y534 HydrophobicContact CE2-CD2 3.8Å; Y530-Y534 AromaticContact CE2-CE2 3.3Å; Y530-Y534 HydrophobicContact CE2-CE2 3.3Å; Y530-Y534 AromaticContact CG-CD2 3.88Å; Y530-Y534 HydrophobicContact CG-CD2 3.88Å; Y530-Y534 HydrophobicContact CG-CE2 4.09Å; Y530-Y534 AromaticContact CZ-CD2 3.57Å; Y530-Y534 AromaticContact CZ-CE2 3.43Å; Y530-Y534 VanDerWaalsContact CZ-CE2 3.43Å; Y530-Y534 VanDerWaalsContact O-CD2 3.31Å; Y530-Y534 WeakPolarHBondContact O-CD2 3.27Å; Y530-Y534 PolarHBondContact O-N 3.05Å; Y534-T536 PolarHBondContact O-N 3.42Å
535	T	61.5	Low	56.7	Low	56 Å²	56	73.8 Å²	73.8	34%	0.344	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.7	176.5	51.6	0	0	0	0	113.8	K531 D532 F533 S537	K531-T535 HydrophobicContact CG-CG2 3.93Å; K531-T535 WeakPolarHBondContact O-CB 3.5Å; K531-T535 WeakPolarHBondContact O-CG2 3.5Å; K531-T535 PolarHBondContact O-N 3Å; K531-T535 PolarHBondContact O-OG1 3.46Å; D532-T535 PolarHBondContact O-OG1 2.96Å; F533-T535 VanDerWaalsContact C-N 3.28Å; F533-T535 PolarHBondContact O-N 2.91Å; T535-S537 PolarHBondContact O-N 2.98Å; T535-S537 PolarHBondContact O-OG 3.4Å
536	T	57	Low	57.2	Low	80 Å²	80	75.4 Å²	75.4	49%	0.491	38%	0.378	S	S	.	.			trans	52.5	4.6	-179.1	67.7	0	0	0	0	115.8	F533 Y534 W538 L539 S540	F533-T536 PolarHBondContact O-N 3.01Å; F533-T536 VanDerWaalsContact O-N 3.16Å; Y534-T536 PolarHBondContact O-N 3.42Å; T536-W538 PolarHBondContact O-N 3.35Å; T536-L539 HydrophobicContact CG2-CD1 3.96Å; T536-L539 WeakPolarHBondContact O-CA 3.4Å; T536-L539 VanDerWaalsContact O-CB 3.24Å; T536-L539 WeakPolarHBondContact O-CB 3.21Å; T536-L539 PolarHBondContact O-N 2.92Å; T536-S540 PolarHBondContact O-N 3.03Å
537	S	55.5	Low	57	Low	90 Å²	90	77.4 Å²	77.4	63%	0.629	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.9	-161.9	-59.8	0	0	0	0	113.5	T535	T535-S537 PolarHBondContact O-N 2.98Å; T535-S537 PolarHBondContact O-OG 3.4Å
538	W	58.6	Low	56.7	Low	25 Å²	25	74 Å²	74	10%	0.095	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-19	172.4	58.2	-86.8	0	0	0	113.1	D532 T536 S540 N541 M630 Y638	D532-W538 PolarHBondContact O-NE1 2.84Å; T536-W538 PolarHBondContact O-N 3.35Å; W538-S540 VanDerWaalsContact C-N 3.29Å; W538-N541 PolarHBondContact O-ND2 3.49Å; W538-M630 HydrophobicContact CE3-CG 4.29Å; W538-M630 HydrophobicContact CE3-SD 3.46Å; W538-M630 HydrophobicContact CH2-SD 4.42Å; W538-M630 HydrophobicContact CZ3-SD 3.31Å; W538-M630 WeakPolarHBondContact CZ3-SD 3.26Å; W538-Y638 HydrophobicContact CH2-CD2 4.15Å; W538-Y638 AromaticContact CZ3-CD2 3.82Å; W538-Y638 HydrophobicContact CZ3-CD2 3.82Å; W538-Y638 HydrophobicContact CZ3-CG 4.2Å
539	L	54.3	Low	56.4	Low	56 Å²	56	74.6 Å²	74.6	29%	0.293	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.2	170.4	-56.5	177.9	0	0	0	111.1	T536 N541 Y638	T536-L539 HydrophobicContact CG2-CD1 3.96Å; T536-L539 WeakPolarHBondContact O-CA 3.4Å; T536-L539 VanDerWaalsContact O-CB 3.24Å; T536-L539 WeakPolarHBondContact O-CB 3.21Å; T536-L539 PolarHBondContact O-N 2.92Å; L539-N541 PolarHBondContact O-N 3.17Å; L539-Y638 HydrophobicContact CD2-CD2 3.43Å; L539-Y638 VanDerWaalsContact CD2-CD2 3.43Å; L539-Y638 HydrophobicContact CD2-CE2 3.66Å
540	S	52.1	Low	56.1	Low	95 Å²	95	78.5 Å²	78.5	66%	0.664	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	1	176.3	-172.3	0	0	0	0	114.9	T536 W538 K542	T536-S540 PolarHBondContact O-N 3.03Å; W538-S540 VanDerWaalsContact C-N 3.29Å; S540-K542 VanDerWaalsContact C-N 3.32Å; S540-K542 PolarHBondContact O-N 2.98Å
541	N	51.1	Low	55.5	Low	34 Å²	34	76.1 Å²	76.1	18%	0.182	39%	0.386	C	S	.	.			trans	-72	81.5	169.5	-77.7	-61.7	0	0	0	110.7	W538 L539 S543 L544	W538-N541 PolarHBondContact O-ND2 3.49Å; L539-N541 PolarHBondContact O-N 3.17Å; N541-S543 PolarHBondContact O-N 3.41Å; N541-L544 PolarHBondContact O-N 3.39Å
542	K	51.8	Low	54.5	Low	155 Å²	155	74.6 Å²	74.6	67%	0.674	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.9	-31.4	176.4	-63.3	-172.6	177.1	-173.5	0	114.7	S540 L544 D545 D546	S540-K542 VanDerWaalsContact C-N 3.32Å; S540-K542 PolarHBondContact O-N 2.98Å; K542-L544 PolarHBondContact O-N 2.92Å; K542-D545 PolarHBondContact O-N 3.13Å; K542-D546 WeakPolarHBondContact O-CB 3.37Å; K542-D546 PolarHBondContact O-N 2.96Å
543	S	55.1	Low	53.8	Low	49 Å²	49	78.1 Å²	78.1	34%	0.343	40%	0.403	S	S	.	.	H	α-helix	trans	-45.7	-25.6	171.4	-173.6	0	0	0	0	114.7	N541 H547	N541-S543 PolarHBondContact O-N 3.41Å; S543-H547 WeakPolarHBondContact O-CB 3.49Å; S543-H547 PolarHBondContact O-CD2 3.11Å
544	L	56.4	Low	53.3	Low	15 Å²	15	81.4 Å²	81.4	8%	0.079	42%	0.422	C	S	.	.	H	α-helix	trans	-80.5	-53.6	176.6	-174.8	146.3	0	0	0	111.1	N541 K542 D546 H547 Y548 M630 Y638 Y673	N541-L544 PolarHBondContact O-N 3.39Å; K542-L544 PolarHBondContact O-N 2.92Å; L544-D546 VanDerWaalsContact C-N 3.33Å; L544-D546 PolarHBondContact O-N 3.24Å; L544-H547 WeakPolarHBondContact O-CB 3.15Å; L544-H547 PolarHBondContact O-N 3.27Å; L544-H547 VanDerWaalsContact O-N 3.1Å; L544-Y548 HydrophobicContact CD1-CE2 4.5Å; L544-Y548 HydrophobicContact CD2-CD2 3.68Å; L544-Y548 HydrophobicContact CD2-CE2 3.5Å; L544-Y548 VanDerWaalsContact CD2-CE2 3.5Å; L544-Y548 HydrophobicContact CG-CD2 4.17Å; L544-Y548 HydrophobicContact CG-CE2 3.76Å; L544-Y548 WeakPolarHBondContact O-CD2 3.43Å; L544-Y548 PolarHBondContact O-N 3.29Å; L544-M630 HydrophobicContact CD1-CE 3.69Å; L544-Y638 HydrophobicContact CD1-CD1 4.07Å; L544-Y638 HydrophobicContact CD1-CE1 3.97Å; L544-Y638 HydrophobicContact CD2-CD1 4.39Å; L544-Y638 HydrophobicContact CD2-CE1 3.47Å; L544-Y638 VanDerWaalsContact CD2-CE1 3.47Å; L544-Y638 HydrophobicContact CD2-CE2 4.18Å; L544-Y638 WeakPolarHBondContact CD2-OH 3.44Å; L544-Y638 HydrophobicContact CG-CE1 4.34Å; L544-Y673 HydrophobicContact CD1-CD2 4.34Å; L544-Y673 HydrophobicContact CD1-CE2 4.25Å
545	D	56.6	Low	52.9	Low	77 Å²	77	82 Å²	82	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-38.8	178.3	-64.7	-36.6	0	0	0	112.7	K542 H547 Y548 K549	K542-D545 PolarHBondContact O-N 3.13Å; D545-H547 PolarHBondContact O-N 3.4Å; D545-Y548 PolarHBondContact O-N 3.09Å; D545-K549 WeakPolarHBondContact O-CG 3.3Å; D545-K549 PolarHBondContact O-N 3.33Å
546	D	56.8	Low	52	Low	93 Å²	93	86 Å²	86	50%	0.497	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-32.3	176	-67.3	-34.6	0	0	0	111.3	K542 L544 K550	K542-D546 WeakPolarHBondContact O-CB 3.37Å; K542-D546 PolarHBondContact O-N 2.96Å; L544-D546 VanDerWaalsContact C-N 3.33Å; L544-D546 PolarHBondContact O-N 3.24Å; D546-K550 WeakPolarHBondContact O-CB 3.37Å; D546-K550 PolarHBondContact O-N 3.16Å
547	H	55.1	Low	51.2	Low	69 Å²	69	86.6 Å²	86.6	32%	0.319	46%	0.458	S	S	.	.	H	α-helix	trans	-72.2	-43.3	171.8	-88.5	-121.9	0	0	0	112.3	S543 L544 D545 K549 K550 I551 H672	S543-H547 WeakPolarHBondContact O-CB 3.49Å; S543-H547 PolarHBondContact O-CD2 3.11Å; L544-H547 WeakPolarHBondContact O-CB 3.15Å; L544-H547 PolarHBondContact O-N 3.27Å; L544-H547 VanDerWaalsContact O-N 3.1Å; D545-H547 PolarHBondContact O-N 3.4Å; H547-K549 PolarHBondContact O-N 3.23Å; H547-K550 WeakPolarHBondContact O-CB 3.21Å; H547-K550 PolarHBondContact O-N 2.84Å; H547-K550 VanDerWaalsContact O-N 3.15Å; H547-I551 WeakPolarHBondContact O-CG1 3.33Å; H547-I551 PolarHBondContact O-N 3.44Å; H547-H672 AromaticContact CE1-NE2 3.88Å; H547-H672 AromaticContact CG-NE2 3.94Å; H547-H672 AromaticContact ND1-CD2 3.62Å; H547-H672 AromaticContact ND1-NE2 2.96Å; H547-H672 PolarHBondContact ND1-NE2 3.41Å
548	Y	50.6	Low	50.5	Low	70 Å²	70	87.1 Å²	87.1	28%	0.275	46%	0.462	S	S	.	.	H	α-helix	trans	-63.5	-40.8	176.5	-77	-76.8	0	0	0	112.6	L544 D545 K550 I551 N552 Y638 R639	L544-Y548 HydrophobicContact CD1-CE2 4.5Å; L544-Y548 HydrophobicContact CD2-CD2 3.68Å; L544-Y548 HydrophobicContact CD2-CE2 3.5Å; L544-Y548 VanDerWaalsContact CD2-CE2 3.5Å; L544-Y548 HydrophobicContact CG-CD2 4.17Å; L544-Y548 HydrophobicContact CG-CE2 3.76Å; L544-Y548 WeakPolarHBondContact O-CD2 3.43Å; L544-Y548 PolarHBondContact O-N 3.29Å; D545-Y548 PolarHBondContact O-N 3.09Å; Y548-K550 VanDerWaalsContact C-N 3.28Å; Y548-K550 PolarHBondContact O-N 3.33Å; Y548-I551 PolarHBondContact O-N 3.44Å; Y548-N552 PolarHBondContact O-N 3.47Å; Y548-Y638 HydrophobicContact CE2-CE1 4.47Å; Y548-R639 VanDerWaalsContact OH-CD 3.28Å; Y548-R639 WeakPolarHBondContact OH-CD 3.24Å; Y548-R639 PolarHBondContact OH-NH1 2.98Å
549	K	53.3	Low	49.6	Very low	140 Å²	140	90 Å²	90	61%	0.609	49%	0.486	S	S	*	.	H	α-helix	trans	-61	-37.7	172.9	-74	177.7	179.4	174	0	112	D545 H547 N553	D545-K549 WeakPolarHBondContact O-CG 3.3Å; D545-K549 PolarHBondContact O-N 3.33Å; H547-K549 PolarHBondContact O-N 3.23Å; K549-N553 WeakPolarHBondContact O-CB 3.38Å; K549-N553 PolarHBondContact O-N 3.02Å; K549-N553 PolarHBondContact O-OD1 2.99Å
550	K	51	Low	48.6	Very low	135 Å²	135	94.4 Å²	94.4	59%	0.587	51%	0.51	S	S	*	.	H	α-helix	trans	-69.2	-34.5	176	-165.4	168.7	-174.3	173.7	0	113	D546 H547 Y548 N554	D546-K550 WeakPolarHBondContact O-CB 3.37Å; D546-K550 PolarHBondContact O-N 3.16Å; H547-K550 WeakPolarHBondContact O-CB 3.21Å; H547-K550 PolarHBondContact O-N 2.84Å; H547-K550 VanDerWaalsContact O-N 3.15Å; Y548-K550 VanDerWaalsContact C-N 3.28Å; Y548-K550 PolarHBondContact O-N 3.33Å; K550-N554 VanDerWaalsContact O-CB 3.26Å; K550-N554 WeakPolarHBondContact O-CB 2.98Å; K550-N554 VanDerWaalsContact O-CG 3.27Å; K550-N554 PolarHBondContact O-N 3.49Å; K550-N554 PolarHBondContact O-OD1 3.05Å
551	I	48.2	Very low	48	Very low	60 Å²	60	95.5 Å²	95.5	31%	0.308	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-50.7	174	-69.3	163.8	0	0	0	110.4	H547 Y548 N553 N554 N555	H547-I551 WeakPolarHBondContact O-CG1 3.33Å; H547-I551 PolarHBondContact O-N 3.44Å; Y548-I551 PolarHBondContact O-N 3.44Å; I551-N553 PolarHBondContact O-N 3.4Å; I551-N554 PolarHBondContact O-N 3.32Å; I551-N555 PolarHBondContact O-N 3.22Å; I551-N555 VanDerWaalsContact O-N 3.15Å
552	N	44.3	Very low	47.6	Very low	105 Å²	105	100.5 Å²	100.5	56%	0.561	54%	0.544	S	S	*	.	H	α-helix	trans	-65.8	-40.2	-179.4	-73.8	9.4	0	0	0	112.5	Y548 N556	Y548-N552 PolarHBondContact O-N 3.47Å; N552-N556 PolarHBondContact O-N 2.67Å
553	N	46	Very low	46.9	Very low	107 Å²	107	96.8 Å²	96.8	57%	0.572	55%	0.55	S	S	*	*	H	α-helix	trans	-67.8	-40.3	177.5	-74.2	9.6	0	0	0	112.1	K549 I551 N555 N556 S557	K549-N553 WeakPolarHBondContact O-CB 3.38Å; K549-N553 PolarHBondContact O-N 3.02Å; K549-N553 PolarHBondContact O-OD1 2.99Å; I551-N553 PolarHBondContact O-N 3.4Å; N553-N555 PolarHBondContact O-N 3.34Å; N553-N556 PolarHBondContact O-N 3.48Å; N553-S557 VanDerWaalsContact O-CB 3.3Å; N553-S557 WeakPolarHBondContact O-CB 3.49Å; N553-S557 PolarHBondContact O-N 3.12Å; N553-S557 VanDerWaalsContact O-N 3.12Å; N553-S557 PolarHBondContact O-OG 3.33Å
554	N	48.2	Very low	46.1	Very low	100 Å²	100	99.9 Å²	99.9	54%	0.535	57%	0.571	S	S	.	*	H	α-helix	trans	-67.3	-34.9	179.7	-80.2	18.7	0	0	0	112.7	K550 I551 N556 S557	K550-N554 VanDerWaalsContact O-CB 3.26Å; K550-N554 WeakPolarHBondContact O-CB 2.98Å; K550-N554 VanDerWaalsContact O-CG 3.27Å; K550-N554 PolarHBondContact O-N 3.49Å; K550-N554 PolarHBondContact O-OD1 3.05Å; I551-N554 PolarHBondContact O-N 3.32Å; N554-N556 VanDerWaalsContact C-N 3.32Å; N554-S557 PolarHBondContact O-N 3.31Å
555	N	46.9	Very low	45.4	Very low	112 Å²	112	106.9 Å²	106.9	60%	0.599	61%	0.609	S	S	*	*	H	α-helix	trans	-74.2	-22	178.3	-70.1	-5.3	0	0	0	113.2	I551 N553 S558	I551-N555 PolarHBondContact O-N 3.22Å; I551-N555 VanDerWaalsContact O-N 3.15Å; N553-N555 PolarHBondContact O-N 3.34Å; N555-S558 PolarHBondContact O-OG 3.39Å
556	N	43.1	Very low	44.6	Very low	138 Å²	138	108.4 Å²	108.4	74%	0.738	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	2.5	175	-73.8	1	0	0	0	113.9	N552 N553 N554	N552-N556 PolarHBondContact O-N 2.67Å; N553-N556 PolarHBondContact O-N 3.48Å; N554-N556 VanDerWaalsContact C-N 3.32Å
557	S	40.6	Very low	43.9	Very low	93 Å²	93	111.3 Å²	111.3	65%	0.65	64%	0.641	S	S	*	*	S	Bend	trans	-114	13.4	-179.1	-54	0	0	0	0	113.6	N553 N554	N553-S557 VanDerWaalsContact O-CB 3.3Å; N553-S557 WeakPolarHBondContact O-CB 3.49Å; N553-S557 PolarHBondContact O-N 3.12Å; N553-S557 VanDerWaalsContact O-N 3.12Å; N553-S557 PolarHBondContact O-OG 3.33Å; N554-S557 PolarHBondContact O-N 3.31Å
558	S	40.8	Very low	43.3	Very low	102 Å²	102	112.2 Å²	112.2	71%	0.713	66%	0.656	S	S	*	*	S	Bend	trans	-99.3	0.8	-179.2	51.9	0	0	0	0	114	N555	N555-S558 PolarHBondContact O-OG 3.39Å
559	S	39.2	Very low	43	Very low	86 Å²	86	116.7 Å²	116.7	60%	0.601	68%	0.684	S	S	*	*	S	Bend	trans	-113.9	147.8	172.5	47.4	0	0	0	0	110.9
560	N	33.9	Very low	42.3	Very low	147 Å²	147	113.4 Å²	113.4	79%	0.786	69%	0.69	S	S	*	*			trans	61.9	65.2	-177.5	-68.4	-0.6	0	0	0	117.1
561	S	39.5	Very low	42.1	Very low	119 Å²	119	112.1 Å²	112.1	83%	0.832	70%	0.698	S	S	*	*			trans	-105.8	63.8	151.9	64.3	0	0	0	0	111.1	G563	S561-G563 PolarHBondContact O-N 2.95Å
562	N	41.8	Very low	41.9	Very low	139 Å²	139	117 Å²	117	74%	0.743	72%	0.724	S	S	*	*			trans	-70.9	96	177.5	-80.2	-6.3	0	0	0	110.8	S564	N562-S564 PolarHBondContact O-N 3.36Å
563	G	37.5	Very low	42	Very low	77 Å²	77	116.4 Å²	116.4	79%	0.794	73%	0.729	S	S	*	*			trans	-66	100.3	171.4	0	0	0	0	0	111	S561 N565	S561-G563 PolarHBondContact O-N 2.95Å; G563-N565 PolarHBondContact O-N 2.94Å
564	S	38.2	Very low	41.9	Very low	113 Å²	113	119 Å²	119	79%	0.79	74%	0.742	S	S	*	*			trans	-67.9	112.9	177.5	-62.4	0	0	0	0	110.3	N562	N562-S564 PolarHBondContact O-N 3.36Å
565	N	41.8	Very low	41.6	Very low	163 Å²	163	117 Å²	117	87%	0.872	75%	0.746	S	S	*	*			trans	-137.4	97.7	171.2	-154.1	22.5	0	0	0	108.5	G563	G563-N565 PolarHBondContact O-N 2.94Å
566	S	39.9	Very low	41.5	Very low	109 Å²	109	118.5 Å²	118.5	76%	0.762	75%	0.754	S	S	*	*			trans	-123.2	117.3	-169.9	-56.7	0	0	0	0	109.7
567	N	42.1	Very low	41.6	Very low	154 Å²	154	117.6 Å²	117.6	82%	0.824	75%	0.75	S	S	*	*			trans	-145.6	102.8	176.8	-134	8.8	0	0	0	113
568	S	43.4	Very low	42	Very low	88 Å²	88	119.3 Å²	119.3	62%	0.615	75%	0.751	S	S	*	*			trans	60.8	135.3	150	63.5	0	0	0	0	122
569	N	43.1	Very low	42.3	Very low	164 Å²	164	120.6 Å²	120.6	88%	0.877	75%	0.75	S	S	*	*			trans	72.9	132.3	164.6	-43	-31.3	0	0	0	114.7
570	G	39.4	Very low	42.5	Very low	71 Å²	71	123.6 Å²	123.6	73%	0.732	76%	0.759	S	S	*	*			cis	140.6	140.4	8	0	0	0	0	0	107.9
571	S	45.7	Very low	43.1	Very low	108 Å²	108	123.3 Å²	123.3	76%	0.755	76%	0.758	S	S	*	*			cis	-159.3	165.9	16.4	-44	0	0	0	0	110.8
572	N	44.2	Very low	43.1	Very low	161 Å²	161	122.3 Å²	122.3	86%	0.861	75%	0.747	S	S	*	*			trans	66.9	149.6	158.9	-62.4	-0.3	0	0	0	117.5
573	S	47.2	Very low	43.2	Very low	93 Å²	93	123.7 Å²	123.7	65%	0.65	75%	0.749	S	S	*	*			cis	-151.7	148	1.9	50.3	0	0	0	0	112.5
574	N	43.3	Very low	43.2	Very low	161 Å²	161	127.6 Å²	127.6	86%	0.861	75%	0.746	S	S	*	*			trans	44.3	128.3	143.3	-48	-2.6	0	0	0	119.8
575	G	42.3	Very low	43.1	Very low	60 Å²	60	129.7 Å²	129.7	62%	0.619	75%	0.748	S	S	*	*			cis	164.1	-179.2	0.2	0	0	0	0	0	112.1
576	N	43.7	Very low	42.6	Very low	142 Å²	142	128.4 Å²	128.4	76%	0.759	75%	0.746	S	S	*	*			trans	69.9	141.5	166.6	-62.2	60.2	0	0	0	116.5
577	D	46.6	Very low	42.7	Very low	120 Å²	120	128.4 Å²	128.4	64%	0.642	74%	0.744	S	S	*	*			cis	-160.6	161.5	-5.8	-99.7	-21.6	0	0	0	111.8
578	N	49.2	Very low	42.4	Very low	128 Å²	128	128.5 Å²	128.5	68%	0.684	74%	0.744	S	S	*	*			trans	72.6	120.3	163.2	-55.3	-41.9	0	0	0	117.7
579	N	46.8	Very low	42.1	Very low	129 Å²	129	130.4 Å²	130.4	69%	0.69	75%	0.747	S	S	*	*				78.3	131.2	64.3	-62.3	0.6	0	0	0	112.3
580	D	42.5	Very low	41.6	Very low	149 Å²	149	131.1 Å²	131.1	80%	0.797	75%	0.745	S	S	*	*			cis	-136.1	-158.9	-2.6	-73.6	-48.8	0	0	0	108.6
581	D	47.4	Very low	41.6	Very low	142 Å²	142	135.8 Å²	135.8	76%	0.759	75%	0.752	S	S	*	*			cis	-153.4	-166.6	13.5	178.1	30.7	0	0	0	109.8
582	T	40	Very low	41	Very low	98 Å²	98	139.8 Å²	139.8	60%	0.601	76%	0.756	S	S	*	*			trans	-151.6	139.3	-171.6	-71.4	0	0	0	0	116.3
583	Q	43.3	Very low	40.8	Very low	167 Å²	167	136.8 Å²	136.8	78%	0.78	75%	0.745	S	S	*	*			trans	-169.7	117.2	147.7	-99.8	143.2	102.2	0	0	109.2
584	Q	37.4	Very low	40.4	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.743	76%	0.755	S	S	*	*				65.2	135.4	79.5	-64.4	-168.4	55.3	0	0	113.7
585	L	35.4	Very low	40.2	Very low	157 Å²	157	139.2 Å²	139.2	82%	0.822	75%	0.75	S	S	*	*			cis	-144.7	177.3	45.9	-77.6	161.5	0	0	0	114.7
586	T	32.3	Very low	40.1	Very low	137 Å²	137	143.5 Å²	143.5	84%	0.84	76%	0.757	S	S	*	*			trans	-133.3	-149.8	-168.1	58.3	0	0	0	0	114.4
587	P	40.7	Very low	39.9	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	75%	0.753	S	S	*	*				-128.8	-168.8	-126.8	39.9	-17.4	0	0	0	115.9
588	L	35.9	Very low	39.6	Very low	156 Å²	156	146.5 Å²	146.5	82%	0.817	76%	0.76	S	S	*	*			trans	-161.6	135.3	151.2	-137.8	72.4	0	0	0	117.7
589	N	37.2	Very low	39.1	Very low	128 Å²	128	146.9 Å²	146.9	68%	0.684	77%	0.767	S	S	*	*			trans	1.5	135.1	146.6	-51.2	-3.9	0	0	0	119
590	E	33.1	Very low	38.5	Very low	178 Å²	178	151.7 Å²	151.7	83%	0.832	78%	0.775	S	S	*	*				75.7	119.2	57.2	-174	-177.7	-129.8	0	0	115.3
591	L	40.3	Very low	38.4	Very low	169 Å²	169	150.1 Å²	150.1	89%	0.885	78%	0.776	S	S	*	*			trans	-171.7	157.9	150.5	-106.5	166.5	0	0	0	113.8
592	K	33.2	Very low	38.3	Very low	192 Å²	192	152.6 Å²	152.6	84%	0.835	78%	0.78	S	S	*	*			trans	-158.5	-175.5	-175	-112	177.1	-176.3	169.4	0	107.9
593	P	39.3	Very low	38.1	Very low	98 Å²	98	157.5 Å²	157.5	64%	0.636	79%	0.793	S	S	*	*			cis	-129.5	-141.5	-33.7	39.3	-19.7	0	0	0	110.5
594	K	39.1	Very low	38.3	Very low	196 Å²	196	157.7 Å²	157.7	85%	0.852	79%	0.793	S	S	*	*			trans	101.1	145.9	168.6	-59.1	153.8	-174.1	171	0	114.8
595	S	38	Very low	38.8	Very low	110 Å²	110	156.8 Å²	156.8	77%	0.769	79%	0.793	S	S	*	*			cis	-168.9	-172	-16.1	-173.8	0	0	0	0	110.5
596	I	40.8	Very low	38.9	Very low	149 Å²	149	158.5 Å²	158.5	76%	0.764	79%	0.794	S	S	*	*			trans	90.2	86.4	160.5	-46.3	-177.7	0	0	0	119.7
597	H	40.5	Very low	38.9	Very low	146 Å²	146	157.6 Å²	157.6	68%	0.676	79%	0.792	S	S	*	*				38.3	131.5	123.4	-72.1	-38	0	0	0	126.3
598	K	39.7	Very low	38.7	Very low	180 Å²	180	157.6 Å²	157.6	78%	0.783	79%	0.794	S	S	*	*			trans	66.3	156.2	134.9	-58.4	171.5	-171.7	175.4	0	116.3
599	V	39.2	Very low	39.2	Very low	136 Å²	136	158.8 Å²	158.8	82%	0.824	80%	0.795	S	S	*	*			cis	-135.3	165.7	22.4	174.3	0	0	0	0	111.2
600	R	32.6	Very low	39.4	Very low	230 Å²	230	157.1 Å²	157.1	87%	0.868	79%	0.793	S	S	*	*			trans	-112.1	128.5	178.1	152.3	-177	157.6	170.9	-5.6	111.7
601	S	41.2	Very low	40.2	Very low	116 Å²	116	158.1 Å²	158.1	81%	0.811	80%	0.798	S	S	*	*			trans	-155.3	162.9	166.4	42.5	0	0	0	0	111.6
602	K	44.8	Very low	40.2	Very low	193 Å²	193	155.2 Å²	155.2	84%	0.839	79%	0.792	S	S	*	*			trans	-104.1	164.3	-169.4	-66.1	177.3	177.8	177.1	0	112.6
603	K	37.1	Very low	40.8	Very low	201 Å²	201	155 Å²	155	87%	0.874	79%	0.793	S	S	*	*			trans	-0.3	134.7	158.2	-65.1	-178	174.8	-175.2	0	117.3
604	Q	47.7	Very low	40.9	Very low	171 Å²	171	155.7 Å²	155.7	80%	0.799	80%	0.801	S	S	*	*				-177	149.7	124.6	-91.6	-71.7	14.2	0	0	110.4
605	L	46.5	Very low	41.4	Very low	141 Å²	141	154.2 Å²	154.2	74%	0.738	80%	0.797	S	S	*	*			trans	54.8	100.2	153	-60.4	165.7	0	0	0	123.2
606	K	37.5	Very low	41.8	Very low	193 Å²	193	154 Å²	154	84%	0.839	80%	0.795	S	S	*	*				56.1	147.1	107.1	-160	166.8	-177.7	175.2	0	121.9
607	C	32.4	Very low	42	Very low	118 Å²	118	155.5 Å²	155.5	80%	0.797	80%	0.799	S	S	*	*			trans	79.8	154.1	173.6	97.6	0	0	0	0	116
608	S	36.2	Very low	42.5	Very low	108 Å²	108	155.5 Å²	155.5	76%	0.755	80%	0.803	S	S	*	*			cis	-166.3	142.6	-25.4	-103.5	0	0	0	0	111.8
609	H	46.4	Very low	43	Very low	182 Å²	182	152.4 Å²	152.4	84%	0.843	80%	0.801	S	S	*	*			trans	64.5	147.7	153.4	-123.5	49.9	0	0	0	121.7
610	S	42.5	Very low	42.9	Very low	92 Å²	92	151.3 Å²	151.3	64%	0.643	79%	0.791	S	S	*	*			trans	53.8	103.3	152.5	-58.1	0	0	0	0	121.5
611	Q	50	Low	43.7	Very low	200 Å²	200	144 Å²	144	94%	0.935	77%	0.769	S	S	*	*				-170	160.1	92.3	-98.1	175.4	15.1	0	0	112
612	S	39.4	Very low	43.9	Very low	108 Å²	108	145.5 Å²	145.5	76%	0.755	76%	0.763	S	S	*	*			trans	-97.2	127.3	-169.4	55.8	0	0	0	0	113.4
613	H	45.2	Very low	44	Very low	186 Å²	186	140.5 Å²	140.5	86%	0.861	75%	0.745	S	S	*	*			trans	-128.6	131.6	152.6	-85.9	-51.9	0	0	0	111.3
614	S	41.4	Very low	44.2	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	74%	0.74	S	S	*	*			trans	-83.4	111.5	-174.8	52.9	0	0	0	0	111.8
615	H	50	Low	44.2	Very low	164 Å²	164	140.8 Å²	140.8	76%	0.759	74%	0.735	S	S	*	*			trans	-115.5	122.5	160.4	-77.5	-66.5	0	0	0	110.4	H617	H615-H617 PolarHBondContact O-N 2.78Å
616	S	46.6	Very low	44.3	Very low	105 Å²	105	141 Å²	141	73%	0.734	73%	0.729	S	S	*	*			trans	-73.3	95.8	-175.8	52.7	0	0	0	0	111.1	L618	S616-L618 PolarHBondContact O-N 3.2Å
617	H	45.6	Very low	45.2	Very low	182 Å²	182	136.1 Å²	136.1	84%	0.843	71%	0.713	S	S	*	*			trans	-71.2	68.5	165	-75.5	-73.8	0	0	0	110.9	H615 P619	H615-H617 PolarHBondContact O-N 2.78Å; H617-P619 WeakPolarHBondContact O-CD 3.26Å
618	L	50.1	Low	47	Very low	145 Å²	145	136.1 Å²	136.1	76%	0.759	70%	0.699	S	S	*	*			trans	-59.8	120.2	159.4	-78	163.8	0	0	0	107.3	S616 N620	S616-L618 PolarHBondContact O-N 3.2Å; L618-N620 PolarHBondContact O-N 3.25Å
619	P	49.9	Very low	49.2	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	69%	0.687	S	S	*	*			trans	-64.7	115.1	178.4	25.8	-32.7	0	0	0	108.4	H617 N621	H617-P619 WeakPolarHBondContact O-CD 3.26Å; P619-N621 VanDerWaalsContact C-N 3.32Å; P619-N621 PolarHBondContact O-N 3.05Å
620	N	39	Very low	51.1	Low	112 Å²	112	127.7 Å²	127.7	60%	0.599	65%	0.648	S	S	*	*			trans	-68	89.3	-171.9	-169.8	10.9	0	0	0	110.9	L618 H622 D623	L618-N620 PolarHBondContact O-N 3.25Å; N620-H622 PolarHBondContact O-N 3.41Å; N620-D623 PolarHBondContact O-N 2.79Å
621	N	47.4	Very low	53.4	Low	77 Å²	77	126.4 Å²	126.4	41%	0.412	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-69	-10	-168.3	-152.4	17	0	0	0	112.7	P619 D623 R624 Y625	P619-N621 VanDerWaalsContact C-N 3.32Å; P619-N621 PolarHBondContact O-N 3.05Å; N621-D623 VanDerWaalsContact C-N 3.25Å; N621-D623 PolarHBondContact O-N 2.73Å; N621-R624 PolarHBondContact O-N 2.88Å; N621-R624 VanDerWaalsContact O-N 3.11Å; N621-R624 VanDerWaalsContact OD1-CZ 3.26Å; N621-R624 PolarHBondContact OD1-NE 2.75Å; N621-R624 PolarHBondContact OD1-NH2 2.87Å; N621-Y625 WeakPolarHBondContact O-CD2 3.41Å
622	H	46.8	Very low	55.3	Low	148 Å²	148	117.7 Å²	117.7	69%	0.685	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-55.1	-35.8	174.1	-105.9	-56.4	0	0	0	113.3	N620 R624 Y625	N620-H622 PolarHBondContact O-N 3.41Å; H622-R624 PolarHBondContact O-N 3.13Å; H622-R624 VanDerWaalsContact O-N 3.12Å; H622-Y625 PolarHBondContact O-N 2.96Å
623	D	45.9	Very low	57.8	Low	87 Å²	87	115.3 Å²	115.3	47%	0.465	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-65.4	-15.1	179.3	-83	-73.6	0	0	0	113.9	N620 N621 K626	N620-D623 PolarHBondContact O-N 2.79Å; N621-D623 VanDerWaalsContact C-N 3.25Å; N621-D623 PolarHBondContact O-N 2.73Å; D623-K626 WeakPolarHBondContact O-CD 3.46Å; D623-K626 WeakPolarHBondContact O-CG 3.36Å; D623-K626 WeakPolarHBondContact OD1-CE 3.3Å; D623-K626 IonicContact OD1-NZ 3.2Å; D623-K626 PolarHBondContact OD1-NZ 3.48Å
624	R	42.3	Very low	59.9	Low	204 Å²	204	106.6 Å²	106.6	77%	0.77	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-91.6	-1.9	173	-64.4	-163.2	-66.2	-171.3	-3.2	114.2	N621 H622 K626	N621-R624 PolarHBondContact O-N 2.88Å; N621-R624 VanDerWaalsContact O-N 3.11Å; N621-R624 VanDerWaalsContact OD1-CZ 3.26Å; N621-R624 PolarHBondContact OD1-NE 2.75Å; N621-R624 PolarHBondContact OD1-NH2 2.87Å; H622-R624 PolarHBondContact O-N 3.13Å; H622-R624 VanDerWaalsContact O-N 3.12Å; R624-K626 VanDerWaalsContact C-N 3.29Å
625	Y	46.4	Very low	62.3	Low	175 Å²	175	101.2 Å²	101.2	69%	0.686	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-92.3	18	168.9	-72.2	-89.7	0	0	0	112.8	N621 H622 N627	N621-Y625 WeakPolarHBondContact O-CD2 3.41Å; H622-Y625 PolarHBondContact O-N 2.96Å; Y625-N627 PolarHBondContact O-N 3.38Å
626	K	49.8	Very low	64.3	Low	144 Å²	144	93.5 Å²	93.5	63%	0.626	45%	0.453	S	S	*	.	S	Bend	trans	-65.8	94.1	174.9	-76.2	177.1	-175.3	169.6	0	111.2	D623 R624	D623-K626 WeakPolarHBondContact O-CD 3.46Å; D623-K626 WeakPolarHBondContact O-CG 3.36Å; D623-K626 WeakPolarHBondContact OD1-CE 3.3Å; D623-K626 IonicContact OD1-NZ 3.2Å; D623-K626 PolarHBondContact OD1-NZ 3.48Å; R624-K626 VanDerWaalsContact C-N 3.29Å
627	N	55.1	Low	66.4	Low	91 Å²	91	88.9 Å²	88.9	49%	0.487	42%	0.42	S	S	.	.			trans	55.2	76.5	155.1	-53.3	27	0	0	0	112.9	Y625 Q629	Y625-N627 PolarHBondContact O-N 3.38Å; N627-Q629 PolarHBondContact O-N 3.48Å
628	K	71.6	Confident	68.5	Low	119 Å²	119	81.1 Å²	81.1	52%	0.517	38%	0.383	S	S	.	.			trans	-61.1	96.2	155.3	-173.9	-160.2	173.9	-156.4	0	106.4	M630 E631	K628-M630 PolarHBondContact O-N 2.94Å; K628-E631 IonicContact NZ-OE1 3.55Å
629	Q	82.4	Confident	70.4	Confident	107 Å²	107	74.6 Å²	74.6	50%	0.5	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-57	133.8	-179.2	-67.5	178.2	-19.3	0	0	109.3	N627	N627-Q629 PolarHBondContact O-N 3.48Å
630	M	85.9	Confident	72.3	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.025	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-66.3	136	-179.4	-171.1	164.5	38.6	0	0	110.3	W538 L544 K628 Q634 F635 Y673	W538-M630 HydrophobicContact CE3-CG 4.29Å; W538-M630 HydrophobicContact CE3-SD 3.46Å; W538-M630 HydrophobicContact CH2-SD 4.42Å; W538-M630 HydrophobicContact CZ3-SD 3.31Å; W538-M630 WeakPolarHBondContact CZ3-SD 3.26Å; L544-M630 HydrophobicContact CD1-CE 3.69Å; K628-M630 PolarHBondContact O-N 2.94Å; M630-Q634 HydrophobicContact CG-CB 3.28Å; M630-Q634 HydrophobicContact CG-CG 4.41Å; M630-Q634 HydrophobicContact SD-CB 3.95Å; M630-F635 HydrophobicContact CE-CB 3.88Å; M630-F635 HydrophobicContact CE-CD2 3.71Å; M630-F635 HydrophobicContact CE-CG 4.29Å; M630-F635 HydrophobicContact CG-CB 4.25Å; M630-F635 HydrophobicContact SD-CB 4.19Å; M630-Y673 HydrophobicContact CB-CE1 3.66Å; M630-Y673 WeakPolarHBondContact CB-OH 3.44Å; M630-Y673 HydrophobicContact CE-CD1 4.46Å; M630-Y673 HydrophobicContact CE-CD2 4.17Å; M630-Y673 HydrophobicContact CE-CE1 4.08Å; M630-Y673 HydrophobicContact CE-CE2 3.75Å; M630-Y673 PolarHBondContact N-OH 2.83Å
631	E	89.7	Confident	74.6	Confident	65 Å²	65	68.7 Å²	68.7	30%	0.304	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-73	152.6	173.9	-63.9	160.6	-136.3	0	0	109	R528 K628 W633 Q634 F635	R528-E631 IonicContact NH2-OE1 2.63Å; K628-E631 IonicContact NZ-OE1 3.55Å; E631-W633 VanDerWaalsContact C-N 3.31Å; E631-W633 PolarHBondContact O-N 3.28Å; E631-W633 PolarHBondContact OE2-NE1 3.04Å; E631-Q634 HydrophobicContact CB-CG 4.37Å; E631-Q634 VanDerWaalsContact CD-NE2 3.31Å; E631-Q634 WeakPolarHBondContact O-CA 3.38Å; E631-Q634 WeakPolarHBondContact O-CB 3.28Å; E631-Q634 PolarHBondContact O-N 3.49Å; E631-Q634 PolarHBondContact OE1-NE2 3.08Å; E631-F635 PolarHBondContact O-N 2.91Å
632	L	91.8	Very high	76.1	Confident	17 Å²	17	70.3 Å²	70.3	9%	0.089	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-40.2	-171.1	178.2	50	0	0	0	112.8	Q634 F635 I636 W670 M684 A687 I688	L632-Q634 VanDerWaalsContact C-N 3.32Å; L632-Q634 PolarHBondContact O-N 2.94Å; L632-F635 HydrophobicContact CD1-CD1 4.34Å; L632-F635 PolarHBondContact O-N 3.44Å; L632-I636 HydrophobicContact CD1-CD1 3.89Å; L632-I636 HydrophobicContact CD1-CG1 3.99Å; L632-I636 HydrophobicContact CG-CD1 3.95Å; L632-I636 WeakPolarHBondContact O-CG1 3.49Å; L632-I636 PolarHBondContact O-N 3.27Å; L632-W670 HydrophobicContact CB-CH2 3.83Å; L632-W670 HydrophobicContact CB-CZ2 3.75Å; L632-W670 HydrophobicContact CB-CZ3 4.48Å; L632-W670 HydrophobicContact CD1-CD2 3.63Å; L632-W670 HydrophobicContact CD1-CE3 3.92Å; L632-W670 HydrophobicContact CD1-CG 3.98Å; L632-W670 HydrophobicContact CD1-CH2 4.24Å; L632-W670 HydrophobicContact CD1-CZ2 4.01Å; L632-W670 HydrophobicContact CD1-CZ3 4.22Å; L632-W670 HydrophobicContact CD2-CZ2 4.43Å; L632-W670 HydrophobicContact CG-CZ2 4.27Å; L632-M684 HydrophobicContact CD1-CG 4.18Å; L632-M684 HydrophobicContact CD2-CG 3.92Å; L632-A687 HydrophobicContact CD2-CB 3.79Å; L632-I688 HydrophobicContact CD2-CG1 3.76Å; L632-I688 HydrophobicContact CG-CG1 4.25Å
633	W	91	Very high	77.3	Confident	59 Å²	59	64.4 Å²	64.4	22%	0.223	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-35.9	174.9	68.1	-92.4	0	0	0	113.2	M221 M529 D532 E631 L637	M221-W633 HydrophobicContact CE-CB 4.01Å; M221-W633 HydrophobicContact SD-CB 4.44Å; M529-W633 HydrophobicContact CB-CH2 4.12Å; M529-W633 HydrophobicContact CB-CZ3 4.27Å; M529-W633 HydrophobicContact CE-CD2 4.36Å; M529-W633 HydrophobicContact CE-CE3 3.92Å; M529-W633 HydrophobicContact CE-CZ3 4.09Å; M529-W633 HydrophobicContact CG-CH2 3.83Å; M529-W633 HydrophobicContact CG-CZ2 4.15Å; M529-W633 HydrophobicContact CG-CZ3 4.13Å; D532-W633 HydrophobicContact CB-CH2 4.5Å; E631-W633 VanDerWaalsContact C-N 3.31Å; E631-W633 PolarHBondContact O-N 3.28Å; E631-W633 PolarHBondContact OE2-NE1 3.04Å; W633-L637 HydrophobicContact CZ3-CD2 4.49Å; W633-L637 WeakPolarHBondContact O-CB 3.49Å; W633-L637 PolarHBondContact O-N 2.85Å
634	Q	89.9	Confident	78.4	Confident	2 Å²	2	71 Å²	71	1%	0.009	31%	0.314	C	S	.	.	H	α-helix	trans	-68.5	-39.2	174.9	-67.9	155.9	9.5	0	0	110.7	M630 E631 L632 L637 Y638	M630-Q634 HydrophobicContact CG-CB 3.28Å; M630-Q634 HydrophobicContact CG-CG 4.41Å; M630-Q634 HydrophobicContact SD-CB 3.95Å; E631-Q634 HydrophobicContact CB-CG 4.37Å; E631-Q634 VanDerWaalsContact CD-NE2 3.31Å; E631-Q634 WeakPolarHBondContact O-CA 3.38Å; E631-Q634 WeakPolarHBondContact O-CB 3.28Å; E631-Q634 PolarHBondContact O-N 3.49Å; E631-Q634 PolarHBondContact OE1-NE2 3.08Å; L632-Q634 VanDerWaalsContact C-N 3.32Å; L632-Q634 PolarHBondContact O-N 2.94Å; Q634-L637 PolarHBondContact O-N 2.91Å; Q634-Y638 VanDerWaalsContact O-CB 3.3Å; Q634-Y638 WeakPolarHBondContact O-CB 3.45Å; Q634-Y638 PolarHBondContact O-N 3.48Å
635	F	91.7	Very high	80	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-45	176.7	173.4	-95	0	0	0	112	M630 E631 L632 Y638 R639 F648 E669 W670 Y673	M630-F635 HydrophobicContact CE-CB 3.88Å; M630-F635 HydrophobicContact CE-CD2 3.71Å; M630-F635 HydrophobicContact CE-CG 4.29Å; M630-F635 HydrophobicContact CG-CB 4.25Å; M630-F635 HydrophobicContact SD-CB 4.19Å; E631-F635 PolarHBondContact O-N 2.91Å; L632-F635 HydrophobicContact CD1-CD1 4.34Å; L632-F635 PolarHBondContact O-N 3.44Å; F635-Y638 WeakPolarHBondContact O-CB 3.42Å; F635-Y638 PolarHBondContact O-N 3.25Å; F635-R639 HydrophobicContact CE1-CG 4.11Å; F635-R639 HydrophobicContact CE2-CG 4.24Å; F635-R639 HydrophobicContact CZ-CG 3.95Å; F635-R639 WeakPolarHBondContact O-CG 3.28Å; F635-R639 PolarHBondContact O-N 2.78Å; F635-F648 HydrophobicContact CD1-CE2 4.49Å; F635-F648 AromaticContact CE1-CE2 3.94Å; F635-F648 HydrophobicContact CE1-CE2 3.94Å; F635-F648 HydrophobicContact CE1-CZ 4.48Å; F635-E669 HydrophobicContact CZ-CB 3.99Å; F635-W670 HydrophobicContact CB-CE3 3.87Å; F635-W670 HydrophobicContact CB-CZ3 3.66Å; F635-W670 HydrophobicContact CD1-CB 4.29Å; F635-W670 HydrophobicContact CD1-CD2 4.39Å; F635-W670 AromaticContact CD1-CE3 3.65Å; F635-W670 HydrophobicContact CD1-CE3 3.65Å; F635-W670 HydrophobicContact CD1-CZ3 4.33Å; F635-W670 HydrophobicContact CD2-CE3 4.09Å; F635-W670 HydrophobicContact CD2-CZ3 4.44Å; F635-W670 HydrophobicContact CE1-CB 3.82Å; F635-W670 HydrophobicContact CE1-CE3 4.19Å; F635-W670 AromaticContact CG-CE3 3.59Å; F635-W670 HydrophobicContact CG-CE3 3.59Å; F635-W670 AromaticContact CG-CZ3 3.91Å; F635-W670 HydrophobicContact CG-CZ3 3.91Å; F635-W670 HydrophobicContact CZ-CB 4.35Å; F635-Y673 HydrophobicContact CD2-CD1 4.14Å; F635-Y673 HydrophobicContact CD2-CD2 4.43Å; F635-Y673 AromaticContact CD2-CG 3.9Å; F635-Y673 HydrophobicContact CD2-CG 3.9Å; F635-Y673 HydrophobicContact CE2-CG 4.03Å
636	I	92.5	Very high	81.5	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.015	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-49.7	175.1	-67.7	168.9	0	0	0	109.9	M221 L632 Y638 R639 L640 F648 F658 I688	M221-I636 HydrophobicContact CE-CB 4.01Å; M221-I636 HydrophobicContact CE-CD1 4.34Å; M221-I636 HydrophobicContact CE-CG2 3.75Å; L632-I636 HydrophobicContact CD1-CD1 3.89Å; L632-I636 HydrophobicContact CD1-CG1 3.99Å; L632-I636 HydrophobicContact CG-CD1 3.95Å; L632-I636 WeakPolarHBondContact O-CG1 3.49Å; L632-I636 PolarHBondContact O-N 3.27Å; I636-Y638 VanDerWaalsContact C-N 3.33Å; I636-Y638 PolarHBondContact O-N 2.8Å; I636-R639 PolarHBondContact O-N 3.21Å; I636-L640 HydrophobicContact CG2-CD1 3.72Å; I636-L640 HydrophobicContact CG2-CG 4.38Å; I636-L640 WeakPolarHBondContact O-CB 3.39Å; I636-L640 VanDerWaalsContact O-CG 3.28Å; I636-L640 WeakPolarHBondContact O-CG 3.49Å; I636-L640 PolarHBondContact O-N 3.24Å; I636-F648 HydrophobicContact CB-CE1 4.49Å; I636-F648 HydrophobicContact CD1-CE1 4.18Å; I636-F648 HydrophobicContact CG1-CD1 4.2Å; I636-F648 HydrophobicContact CG1-CE1 3.7Å; I636-F648 HydrophobicContact CG1-CE2 4.47Å; I636-F648 HydrophobicContact CG1-CZ 3.85Å; I636-F648 HydrophobicContact CG2-CD1 3.9Å; I636-F648 HydrophobicContact CG2-CE1 4.24Å; I636-F648 HydrophobicContact CG2-CG 4.31Å; I636-F658 HydrophobicContact CG2-CD2 4.15Å; I636-F658 HydrophobicContact CG2-CE1 4.45Å; I636-F658 HydrophobicContact CG2-CE2 3.59Å; I636-F658 HydrophobicContact CG2-CZ 3.76Å; I636-I688 HydrophobicContact CD1-CD1 3.86Å; I636-I688 HydrophobicContact CD1-CG1 3.91Å
637	L	90.3	Very high	83.4	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-39.1	179	-173.5	52.7	0	0	0	112.4	F533 W633 Q634 L640 Q641 W650	F533-L637 HydrophobicContact CD2-CD2 3.59Å; F533-L637 HydrophobicContact CD2-CG 4.19Å; F533-L637 HydrophobicContact CE2-CD1 4.23Å; F533-L637 HydrophobicContact CE2-CD2 3.86Å; F533-L637 HydrophobicContact CE2-CG 4.04Å; W633-L637 HydrophobicContact CZ3-CD2 4.49Å; W633-L637 WeakPolarHBondContact O-CB 3.49Å; W633-L637 PolarHBondContact O-N 2.85Å; Q634-L637 PolarHBondContact O-N 2.91Å; L637-L640 PolarHBondContact O-N 3.32Å; L637-Q641 WeakPolarHBondContact O-CG 3.25Å; L637-Q641 PolarHBondContact O-N 3.45Å; L637-W650 HydrophobicContact CD1-CH2 3.87Å; L637-W650 HydrophobicContact CD1-CZ2 3.78Å
638	Y	89.2	Confident	85.1	Confident	19 Å²	19	48.4 Å²	48.4	8%	0.075	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-51.3	172.4	-179.2	-93.6	0	0	0	112.3	W538 L539 L544 Y548 Q634 F635 I636 L640 Q641 M642	W538-Y638 HydrophobicContact CH2-CD2 4.15Å; W538-Y638 AromaticContact CZ3-CD2 3.82Å; W538-Y638 HydrophobicContact CZ3-CD2 3.82Å; W538-Y638 HydrophobicContact CZ3-CG 4.2Å; L539-Y638 HydrophobicContact CD2-CD2 3.43Å; L539-Y638 VanDerWaalsContact CD2-CD2 3.43Å; L539-Y638 HydrophobicContact CD2-CE2 3.66Å; L544-Y638 HydrophobicContact CD1-CD1 4.07Å; L544-Y638 HydrophobicContact CD1-CE1 3.97Å; L544-Y638 HydrophobicContact CD2-CD1 4.39Å; L544-Y638 HydrophobicContact CD2-CE1 3.47Å; L544-Y638 VanDerWaalsContact CD2-CE1 3.47Å; L544-Y638 HydrophobicContact CD2-CE2 4.18Å; L544-Y638 WeakPolarHBondContact CD2-OH 3.44Å; L544-Y638 HydrophobicContact CG-CE1 4.34Å; Y548-Y638 HydrophobicContact CE2-CE1 4.47Å; Q634-Y638 VanDerWaalsContact O-CB 3.3Å; Q634-Y638 WeakPolarHBondContact O-CB 3.45Å; Q634-Y638 PolarHBondContact O-N 3.48Å; F635-Y638 WeakPolarHBondContact O-CB 3.42Å; F635-Y638 PolarHBondContact O-N 3.25Å; I636-Y638 VanDerWaalsContact C-N 3.33Å; I636-Y638 PolarHBondContact O-N 2.8Å; Y638-L640 VanDerWaalsContact C-N 3.3Å; Y638-L640 PolarHBondContact O-N 3.49Å; Y638-Q641 PolarHBondContact O-N 2.94Å; Y638-Q641 VanDerWaalsContact O-N 3.1Å; Y638-M642 HydrophobicContact CD2-CE 4.26Å; Y638-M642 HydrophobicContact CE1-CB 3.94Å; Y638-M642 HydrophobicContact CE1-CG 4.45Å; Y638-M642 HydrophobicContact CE2-CB 4.24Å; Y638-M642 HydrophobicContact CE2-CE 3.62Å; Y638-M642 HydrophobicContact CE2-CG 4.33Å; Y638-M642 WeakPolarHBondContact O-CB 3.3Å; Y638-M642 PolarHBondContact O-N 3.44Å
639	R	90.7	Very high	86	Confident	8 Å²	8	46.4 Å²	46.4	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-39.1	-179.3	-70.8	-49.5	-55	-100.2	-17.1	112	Y548 F635 I636 Q641 S643 S646 F648 E669	Y548-R639 VanDerWaalsContact OH-CD 3.28Å; Y548-R639 WeakPolarHBondContact OH-CD 3.24Å; Y548-R639 PolarHBondContact OH-NH1 2.98Å; F635-R639 HydrophobicContact CE1-CG 4.11Å; F635-R639 HydrophobicContact CE2-CG 4.24Å; F635-R639 HydrophobicContact CZ-CG 3.95Å; F635-R639 WeakPolarHBondContact O-CG 3.28Å; F635-R639 PolarHBondContact O-N 2.78Å; I636-R639 PolarHBondContact O-N 3.21Å; R639-Q641 VanDerWaalsContact C-N 3.27Å; R639-Q641 PolarHBondContact O-N 3.21Å; R639-S643 PolarHBondContact NE-OG 2.95Å; R639-S643 PolarHBondContact NH2-OG 3.18Å; R639-S643 PolarHBondContact O-N 3.12Å; R639-S643 PolarHBondContact O-OG 3.15Å; R639-S646 WeakPolarHBondContact CB-OG 3.44Å; R639-S646 PolarHBondContact NH2-OG 2.69Å; R639-F648 HydrophobicContact CB-CD2 3.82Å; R639-F648 HydrophobicContact CG-CD2 4.19Å; R639-E669 VanDerWaalsContact CZ-CD 3.47Å; R639-E669 IonicContact CZ-OE1 3.58Å; R639-E669 IonicContact CZ-OE2 3.81Å; R639-E669 VanDerWaalsContact CZ-OE2 3.24Å; R639-E669 IonicContact NH1-OE1 2.66Å; R639-E669 PolarHBondContact NH1-OE1 2.84Å; R639-E669 IonicContact NH1-OE2 3.43Å; R639-E669 PolarHBondContact NH1-OE2 2.8Å; R639-E669 IonicContact NH2-OE1 2.98Å; R639-E669 PolarHBondContact NH2-OE1 2.72Å; R639-E669 IonicContact NH2-OE2 3.67Å; R639-E669 PolarHBondContact NH2-OE2 3.08Å
640	L	90.1	Very high	86.4	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-24.2	173.6	-76.7	171.2	0	0	0	114.1	I636 L637 Y638 F648 Q649 W650 F658	I636-L640 HydrophobicContact CG2-CD1 3.72Å; I636-L640 HydrophobicContact CG2-CG 4.38Å; I636-L640 WeakPolarHBondContact O-CB 3.39Å; I636-L640 VanDerWaalsContact O-CG 3.28Å; I636-L640 WeakPolarHBondContact O-CG 3.49Å; I636-L640 PolarHBondContact O-N 3.24Å; L637-L640 PolarHBondContact O-N 3.32Å; Y638-L640 VanDerWaalsContact C-N 3.3Å; Y638-L640 PolarHBondContact O-N 3.49Å; L640-F648 VanDerWaalsContact CD2-C 3.49Å; L640-F648 HydrophobicContact CD2-CB 3.75Å; L640-F648 HydrophobicContact CG-CB 3.83Å; L640-Q649 VanDerWaalsContact CD2-C 3.41Å; L640-W650 HydrophobicContact CB-CD2 4.44Å; L640-W650 HydrophobicContact CB-CZ2 3.74Å; L640-W650 HydrophobicContact CD1-CD2 4.43Å; L640-W650 HydrophobicContact CD1-CE3 4.39Å; L640-W650 HydrophobicContact CD1-CH2 3.88Å; L640-W650 HydrophobicContact CD1-CZ2 3.91Å; L640-W650 HydrophobicContact CD1-CZ3 4.12Å; L640-W650 HydrophobicContact CD2-CD2 4.14Å; L640-W650 HydrophobicContact CD2-CG 4.22Å; L640-W650 HydrophobicContact CG-CZ2 4.35Å; L640-W650 PolarHBondContact O-NE1 3.4Å; L640-F658 HydrophobicContact CD1-CB 3.81Å; L640-F658 HydrophobicContact CD1-CD1 4.27Å; L640-F658 HydrophobicContact CD1-CD2 4.01Å; L640-F658 HydrophobicContact CD1-CG 3.78Å; L640-F658 HydrophobicContact CD2-CB 3.87Å; L640-F658 HydrophobicContact CD2-CG 4.47Å
641	Q	85.3	Confident	86.5	Confident	92 Å²	92	47.2 Å²	47.2	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-90.8	-47	175.3	-72.6	-179.8	-85.5	0	0	112.7	F533 L637 Y638 R639	F533-Q641 VanDerWaalsContact CE2-OE1 3.23Å; F533-Q641 VanDerWaalsContact CZ-NE2 3.28Å; L637-Q641 WeakPolarHBondContact O-CG 3.25Å; L637-Q641 PolarHBondContact O-N 3.45Å; Y638-Q641 PolarHBondContact O-N 2.94Å; Y638-Q641 VanDerWaalsContact O-N 3.1Å; R639-Q641 VanDerWaalsContact C-N 3.27Å; R639-Q641 PolarHBondContact O-N 3.21Å
642	M	79.7	Confident	86.3	Confident	111 Å²	111	47.1 Å²	47.1	55%	0.547	23%	0.232	S	C	.	.	H	α-helix	trans	-92.9	-17.6	-163.7	-141.7	65.4	66.2	0	0	114.5	Y638	Y638-M642 HydrophobicContact CD2-CE 4.26Å; Y638-M642 HydrophobicContact CE1-CB 3.94Å; Y638-M642 HydrophobicContact CE1-CG 4.45Å; Y638-M642 HydrophobicContact CE2-CB 4.24Å; Y638-M642 HydrophobicContact CE2-CE 3.62Å; Y638-M642 HydrophobicContact CE2-CG 4.33Å; Y638-M642 WeakPolarHBondContact O-CB 3.3Å; Y638-M642 PolarHBondContact O-N 3.44Å
643	S	72.7	Confident	86	Confident	24 Å²	24	51.6 Å²	51.6	17%	0.168	25%	0.251	C	S	.	.			trans	-135.1	103.8	-170.4	46.3	0	0	0	0	112.9	R639 T645 S646	R639-S643 PolarHBondContact NE-OG 2.95Å; R639-S643 PolarHBondContact NH2-OG 3.18Å; R639-S643 PolarHBondContact O-N 3.12Å; R639-S643 PolarHBondContact O-OG 3.15Å; S643-T645 PolarHBondContact O-N 3.23Å; S643-T645 VanDerWaalsContact O-N 3.12Å; S643-S646 PolarHBondContact O-N 3.44Å; S643-S646 WeakPolarHBondContact OG-CB 3.46Å
644	K	69.2	Low	85.5	Confident	225 Å²	225	51.6 Å²	51.6	98%	0.978	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.8	172.3	-63.8	-177.4	-179.6	179.3	0	113.5
645	T	74.4	Confident	85.2	Confident	127 Å²	127	53.9 Å²	53.9	78%	0.779	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	26.2	-174.9	57	0	0	0	0	113.1	S643	S643-T645 PolarHBondContact O-N 3.23Å; S643-T645 VanDerWaalsContact O-N 3.12Å
646	S	79.4	Confident	84.9	Confident	7 Å²	7	53.8 Å²	53.8	5%	0.049	27%	0.274	C	S	.	.	S	Bend	trans	-78.9	164.2	177	-173.4	0	0	0	0	112.8	R639 S643 F648 E669	R639-S646 WeakPolarHBondContact CB-OG 3.44Å; R639-S646 PolarHBondContact NH2-OG 2.69Å; S643-S646 PolarHBondContact O-N 3.44Å; S643-S646 WeakPolarHBondContact OG-CB 3.46Å; S646-F648 PolarHBondContact O-N 2.8Å; S646-F648 PolarHBondContact OG-N 3.32Å; S646-F648 VanDerWaalsContact OG-N 3.13Å; S646-E669 PolarHBondContact OG-OE2 2.78Å
647	S	88.8	Confident	84.8	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.007	29%	0.288	C	S	.	.	S	Bend	trans	-59.8	-21	159.1	58.5	0	0	0	0	114	I660 I661 N662 A666 E669	S647-I660 CarbonylContact O-C 3.58Å; S647-I660 WeakPolarHBondContact O-CA 3.42Å; S647-I661 PolarHBondContact O-N 2.97Å; S647-N662 WeakPolarHBondContact CB-O 3.12Å; S647-A666 WeakPolarHBondContact OG-CA 3.4Å; S647-A666 WeakPolarHBondContact OG-CB 3.48Å; S647-A666 PolarHBondContact OG-N 3.46Å; S647-E669 PolarHBondContact OG-OE2 3.29Å
648	F	91.7	Very high	84.9	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.1	179.1	-54.5	-82.7	0	0	0	110.6	F635 I636 R639 L640 S646 F658 I660 A666 M684	F635-F648 HydrophobicContact CD1-CE2 4.49Å; F635-F648 AromaticContact CE1-CE2 3.94Å; F635-F648 HydrophobicContact CE1-CE2 3.94Å; F635-F648 HydrophobicContact CE1-CZ 4.48Å; I636-F648 HydrophobicContact CB-CE1 4.49Å; I636-F648 HydrophobicContact CD1-CE1 4.18Å; I636-F648 HydrophobicContact CG1-CD1 4.2Å; I636-F648 HydrophobicContact CG1-CE1 3.7Å; I636-F648 HydrophobicContact CG1-CE2 4.47Å; I636-F648 HydrophobicContact CG1-CZ 3.85Å; I636-F648 HydrophobicContact CG2-CD1 3.9Å; I636-F648 HydrophobicContact CG2-CE1 4.24Å; I636-F648 HydrophobicContact CG2-CG 4.31Å; R639-F648 HydrophobicContact CB-CD2 3.82Å; R639-F648 HydrophobicContact CG-CD2 4.19Å; L640-F648 VanDerWaalsContact CD2-C 3.49Å; L640-F648 HydrophobicContact CD2-CB 3.75Å; L640-F648 HydrophobicContact CG-CB 3.83Å; S646-F648 PolarHBondContact O-N 2.8Å; S646-F648 PolarHBondContact OG-N 3.32Å; S646-F648 VanDerWaalsContact OG-N 3.13Å; F648-F658 HydrophobicContact CD1-CD2 4.36Å; F648-F658 HydrophobicContact CD1-CE2 4.07Å; F648-I660 HydrophobicContact CD1-CD1 4.3Å; F648-I660 HydrophobicContact CD1-CG1 3.87Å; F648-I660 HydrophobicContact CE1-CD1 3.84Å; F648-I660 HydrophobicContact CE1-CG1 3.91Å; F648-A666 HydrophobicContact CE1-CB 4.1Å; F648-A666 HydrophobicContact CE2-CB 4.03Å; F648-A666 HydrophobicContact CZ-CB 3.6Å; F648-M684 HydrophobicContact CZ-CE 4.43Å; F648-M684 HydrophobicContact CZ-SD 4.28Å
649	Q	90.3	Very high	85	Confident	77 Å²	77	59.6 Å²	59.6	36%	0.36	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.4	-179.2	-175.1	-172.4	22.1	0	0	111.3	L640 V651 F658 R659 I661	L640-Q649 VanDerWaalsContact CD2-C 3.41Å; Q649-V651 PolarHBondContact O-N 2.79Å; Q649-F658 CarbonylContact O-C 3.58Å; Q649-F658 VanDerWaalsContact O-CA 3.24Å; Q649-F658 WeakPolarHBondContact O-CA 3.24Å; Q649-F658 WeakPolarHBondContact O-CB 3.34Å; Q649-R659 HydrophobicContact CB-CG 4.32Å; Q649-R659 PolarHBondContact N-O 3.23Å; Q649-R659 PolarHBondContact O-N 2.84Å; Q649-I661 HydrophobicContact CB-CD1 3.69Å; Q649-I661 HydrophobicContact CB-CG1 3.92Å; Q649-I661 HydrophobicContact CG-CD1 4.31Å
650	W	90.7	Very high	85.2	Confident	55 Å²	55	59.5 Å²	59.5	21%	0.208	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	127	167.5	-65.6	111.7	0	0	0	110.3	L637 L640 K653 F658	L637-W650 HydrophobicContact CD1-CH2 3.87Å; L637-W650 HydrophobicContact CD1-CZ2 3.78Å; L640-W650 HydrophobicContact CB-CD2 4.44Å; L640-W650 HydrophobicContact CB-CZ2 3.74Å; L640-W650 HydrophobicContact CD1-CD2 4.43Å; L640-W650 HydrophobicContact CD1-CE3 4.39Å; L640-W650 HydrophobicContact CD1-CH2 3.88Å; L640-W650 HydrophobicContact CD1-CZ2 3.91Å; L640-W650 HydrophobicContact CD1-CZ3 4.12Å; L640-W650 HydrophobicContact CD2-CD2 4.14Å; L640-W650 HydrophobicContact CD2-CG 4.22Å; L640-W650 HydrophobicContact CG-CZ2 4.35Å; L640-W650 PolarHBondContact O-NE1 3.4Å; W650-K653 HydrophobicContact CB-CB 4.21Å; W650-K653 HydrophobicContact CD2-CB 4.22Å; W650-K653 HydrophobicContact CD2-CG 3.96Å; W650-K653 HydrophobicContact CG-CB 4.06Å; W650-K653 HydrophobicContact CG-CG 4.02Å; W650-F658 HydrophobicContact CE3-CB 4Å; W650-F658 HydrophobicContact CZ3-CB 4.3Å
651	V	88.3	Confident	85.2	Confident	74 Å²	74	63.6 Å²	63.6	45%	0.448	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-46	167.5	176.2	0	0	0	0	108.9	L218 Q649 L657 R659	L218-V651 HydrophobicContact CD2-CB 4.22Å; L218-V651 HydrophobicContact CD2-CG1 4.16Å; L218-V651 HydrophobicContact CD2-CG2 3.76Å; Q649-V651 PolarHBondContact O-N 2.79Å; V651-L657 HydrophobicContact CB-CB 4.43Å; V651-L657 PolarHBondContact N-O 2.88Å; V651-R659 HydrophobicContact CG2-CB 3.7Å; V651-R659 HydrophobicContact CG2-CG 3.58Å
652	N	84.4	Confident	85.5	Confident	63 Å²	63	62.7 Å²	62.7	34%	0.337	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	109.7	165.9	-179.1	-15.2	0	0	0	109.8	S654 T655 G656 L657	N652-S654 PolarHBondContact O-N 3.14Å; N652-S654 PolarHBondContact OD1-N 2.92Å; N652-S654 PolarHBondContact OD1-OG 3.36Å; N652-T655 WeakPolarHBondContact CB-OG1 3.44Å; N652-T655 PolarHBondContact O-OG1 2.82Å; N652-T655 PolarHBondContact OD1-N 3.48Å; N652-G656 CarbonylContact O-C 3.6Å; N652-G656 PolarHBondContact O-N 2.96Å; N652-L657 CarbonylContact C-O 3.58Å; N652-L657 HydrophobicContact CB-CB 4.28Å; N652-L657 PolarHBondContact N-O 2.9Å; N652-L657 PolarHBondContact O-N 3.06Å
653	K	86.8	Confident	86.2	Confident	111 Å²	111	60.2 Å²	60.2	48%	0.483	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-28.4	-177.2	-165	-161.2	167.6	-144.7	0	113.1	M225 W650	M225-K653 HydrophobicContact CE-CB 4.39Å; M225-K653 HydrophobicContact CE-CD 3.89Å; M225-K653 HydrophobicContact CE-CG 3.98Å; M225-K653 HydrophobicContact SD-CD 3.9Å; M225-K653 WeakPolarHBondContact SD-CE 3.26Å; M225-K653 HydrophobicContact SD-CG 3.76Å; M225-K653 VanDerWaalsContact SD-O 3.4Å; W650-K653 HydrophobicContact CB-CB 4.21Å; W650-K653 HydrophobicContact CD2-CB 4.22Å; W650-K653 HydrophobicContact CD2-CG 3.96Å; W650-K653 HydrophobicContact CG-CB 4.06Å; W650-K653 HydrophobicContact CG-CG 4.02Å
654	S	80.2	Confident	87.2	Confident	59 Å²	59	64.9 Å²	64.9	41%	0.413	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-27.7	-176.8	69	0	0	0	0	113.5	N652	N652-S654 PolarHBondContact O-N 3.14Å; N652-S654 PolarHBondContact OD1-N 2.92Å; N652-S654 PolarHBondContact OD1-OG 3.36Å
655	T	83	Confident	88.3	Confident	50 Å²	50	57.3 Å²	57.3	31%	0.307	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-24.7	166.3	59.6	0	0	0	0	112.6	Y220 N652 L657	Y220-T655 WeakPolarHBondContact CE2-O 3.41Å; Y220-T655 VanDerWaalsContact CZ-O 3.26Å; Y220-T655 PolarHBondContact OH-O 3.27Å; Y220-T655 VanDerWaalsContact OH-O 3.13Å; N652-T655 WeakPolarHBondContact CB-OG1 3.44Å; N652-T655 PolarHBondContact O-OG1 2.82Å; N652-T655 PolarHBondContact OD1-N 3.48Å; T655-L657 WeakPolarHBondContact OG1-CG 3.42Å; T655-L657 PolarHBondContact OG1-N 3.49Å
656	G	86.1	Confident	89.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	13.4	-174.3	0	0	0	0	0	114.2	M221 N652	M221-G656 PolarHBondContact N-O 3.3Å; M221-G656 WeakPolarHBondContact O-CA 3.07Å; N652-G656 CarbonylContact O-C 3.6Å; N652-G656 PolarHBondContact O-N 2.96Å
657	L	88.9	Confident	89.9	Confident	58 Å²	58	51 Å²	51	30%	0.304	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.8	171.9	-73.8	168	0	0	0	110.9	F219 Y220 V651 N652 T655	F219-L657 WeakPolarHBondContact O-CA 3.4Å; Y220-L657 HydrophobicContact CD2-CD2 3.83Å; Y220-L657 HydrophobicContact CD2-CG 4.07Å; V651-L657 HydrophobicContact CB-CB 4.43Å; V651-L657 PolarHBondContact N-O 2.88Å; N652-L657 CarbonylContact C-O 3.58Å; N652-L657 HydrophobicContact CB-CB 4.28Å; N652-L657 PolarHBondContact N-O 2.9Å; N652-L657 PolarHBondContact O-N 3.06Å; T655-L657 WeakPolarHBondContact OG1-CG 3.42Å; T655-L657 PolarHBondContact OG1-N 3.49Å
658	F	92.4	Very high	90.2	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	161.8	172.6	76	-81	0	0	0	110.6	F219 M221 I636 L640 F648 Q649 W650 I660	F219-F658 HydrophobicContact CB-CD1 3.84Å; F219-F658 HydrophobicContact CB-CD2 4.32Å; F219-F658 HydrophobicContact CB-CE1 3.25Å; F219-F658 HydrophobicContact CB-CE2 3.82Å; F219-F658 HydrophobicContact CB-CG 4.34Å; F219-F658 HydrophobicContact CB-CZ 3.26Å; F219-F658 HydrophobicContact CD2-CE2 4.21Å; F219-F658 HydrophobicContact CD2-CZ 4.35Å; F219-F658 HydrophobicContact CG-CE1 4.35Å; F219-F658 HydrophobicContact CG-CE2 4.22Å; F219-F658 AromaticContact CG-CZ 3.89Å; F219-F658 HydrophobicContact CG-CZ 3.89Å; F219-F658 PolarHBondContact N-O 3.11Å; F219-F658 VanDerWaalsContact O-CD1 3.3Å; F219-F658 WeakPolarHBondContact O-CD1 3.37Å; F219-F658 PolarHBondContact O-N 3.35Å; M221-F658 HydrophobicContact CB-CD1 4.42Å; M221-F658 HydrophobicContact CB-CE1 4.47Å; M221-F658 HydrophobicContact CE-CE1 3.96Å; M221-F658 HydrophobicContact CE-CZ 4.07Å; M221-F658 HydrophobicContact CG-CD1 3.82Å; M221-F658 HydrophobicContact CG-CE1 3.59Å; I636-F658 HydrophobicContact CG2-CD2 4.15Å; I636-F658 HydrophobicContact CG2-CE1 4.45Å; I636-F658 HydrophobicContact CG2-CE2 3.59Å; I636-F658 HydrophobicContact CG2-CZ 3.76Å; L640-F658 HydrophobicContact CD1-CB 3.81Å; L640-F658 HydrophobicContact CD1-CD1 4.27Å; L640-F658 HydrophobicContact CD1-CD2 4.01Å; L640-F658 HydrophobicContact CD1-CG 3.78Å; L640-F658 HydrophobicContact CD2-CB 3.87Å; L640-F658 HydrophobicContact CD2-CG 4.47Å; F648-F658 HydrophobicContact CD1-CD2 4.36Å; F648-F658 HydrophobicContact CD1-CE2 4.07Å; Q649-F658 CarbonylContact O-C 3.58Å; Q649-F658 VanDerWaalsContact O-CA 3.24Å; Q649-F658 WeakPolarHBondContact O-CA 3.24Å; Q649-F658 WeakPolarHBondContact O-CB 3.34Å; W650-F658 HydrophobicContact CE3-CB 4Å; W650-F658 HydrophobicContact CZ3-CB 4.3Å; F658-I660 HydrophobicContact CE2-CG1 4.26Å
659	R	92.4	Very high	90.2	Very high	92 Å²	92	58.7 Å²	58.7	35%	0.347	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.7	172.6	69.7	178.5	178.9	174.8	0.5	112.5	S217 L218 Q649 V651	S217-R659 VanDerWaalsContact O-CA 3.23Å; S217-R659 WeakPolarHBondContact O-CA 3.46Å; S217-R659 WeakPolarHBondContact O-CB 3.36Å; L218-R659 HydrophobicContact CD2-CB 4.33Å; Q649-R659 HydrophobicContact CB-CG 4.32Å; Q649-R659 PolarHBondContact N-O 3.23Å; Q649-R659 PolarHBondContact O-N 2.84Å; V651-R659 HydrophobicContact CG2-CB 3.7Å; V651-R659 HydrophobicContact CG2-CG 3.58Å
660	I	93.7	Very high	90.4	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	97.3	173	-55.1	-177.1	0	0	0	108.5	S217 F219 S647 F648 F658 N662 T663 A666 Y681 M684 I688	S217-I660 PolarHBondContact O-N 3.4Å; F219-I660 HydrophobicContact CD2-CD1 4.01Å; F219-I660 HydrophobicContact CD2-CG1 3.95Å; F219-I660 HydrophobicContact CE2-CB 4.49Å; F219-I660 HydrophobicContact CE2-CD1 3.52Å; F219-I660 HydrophobicContact CE2-CG1 3.77Å; F219-I660 HydrophobicContact CZ-CD1 4.08Å; S647-I660 CarbonylContact O-C 3.58Å; S647-I660 WeakPolarHBondContact O-CA 3.42Å; F648-I660 HydrophobicContact CD1-CD1 4.3Å; F648-I660 HydrophobicContact CD1-CG1 3.87Å; F648-I660 HydrophobicContact CE1-CD1 3.84Å; F648-I660 HydrophobicContact CE1-CG1 3.91Å; F658-I660 HydrophobicContact CE2-CG1 4.26Å; I660-N662 VanDerWaalsContact C-N 3.32Å; I660-N662 PolarHBondContact O-N 2.71Å; I660-T663 HydrophobicContact CG2-CG2 4.3Å; I660-A666 HydrophobicContact CG2-CB 3.77Å; I660-Y681 HydrophobicContact CD1-CE2 3.87Å; I660-Y681 HydrophobicContact CG2-CE2 4.25Å; I660-M684 HydrophobicContact CD1-CE 4.24Å; I660-I688 HydrophobicContact CD1-CD1 4.01Å
661	I	90.8	Very high	90.5	Very high	97 Å²	97	53.3 Å²	53.3	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-59.7	-42.9	-179.1	-55.7	173.3	0	0	0	111.1	S647 Q649	S647-I661 PolarHBondContact O-N 2.97Å; Q649-I661 HydrophobicContact CB-CD1 3.69Å; Q649-I661 HydrophobicContact CB-CG1 3.92Å; Q649-I661 HydrophobicContact CG-CD1 4.31Å
662	N	91.4	Very high	90.7	Very high	74 Å²	74	54.2 Å²	54.2	40%	0.396	27%	0.27	S	S	.	.			trans	-137.9	103.3	-176.2	-172.9	-43.3	0	0	0	109.8	S647 I660 Q664 L665 A666	S647-N662 WeakPolarHBondContact CB-O 3.12Å; I660-N662 VanDerWaalsContact C-N 3.32Å; I660-N662 PolarHBondContact O-N 2.71Å; N662-Q664 PolarHBondContact O-N 3.39Å; N662-Q664 PolarHBondContact OD1-N 3.1Å; N662-L665 HydrophobicContact CB-CB 3.87Å; N662-L665 PolarHBondContact O-N 3.26Å; N662-L665 WeakPolarHBondContact OD1-CB 3.38Å; N662-L665 PolarHBondContact OD1-N 3.06Å; N662-A666 WeakPolarHBondContact O-CB 3.37Å; N662-A666 PolarHBondContact O-N 3.32Å
663	T	94.2	Very high	91	Very high	58 Å²	58	53.8 Å²	53.8	36%	0.356	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-41.2	-177.2	52.4	0	0	0	0	112.7	I660 A667 Y681	I660-T663 HydrophobicContact CG2-CG2 4.3Å; T663-A667 WeakPolarHBondContact O-CB 3.43Å; T663-A667 PolarHBondContact O-N 3.16Å; T663-Y681 VanDerWaalsContact CB-CD2 3.42Å; T663-Y681 HydrophobicContact CG2-CD1 4.03Å; T663-Y681 HydrophobicContact CG2-CD2 3.75Å; T663-Y681 HydrophobicContact CG2-CE1 3.88Å; T663-Y681 HydrophobicContact CG2-CE2 3.61Å; T663-Y681 HydrophobicContact CG2-CG 3.96Å
664	Q	93.6	Very high	91.2	Very high	122 Å²	122	52.9 Å²	52.9	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-67.7	-41.8	176.5	-60.7	-170.9	12.9	0	0	112.2	N662 A667 K668	N662-Q664 PolarHBondContact O-N 3.39Å; N662-Q664 PolarHBondContact OD1-N 3.1Å; Q664-A667 PolarHBondContact O-N 3.29Å; Q664-K668 WeakPolarHBondContact O-CB 3.32Å; Q664-K668 WeakPolarHBondContact O-CD 3.2Å; Q664-K668 WeakPolarHBondContact O-CG 3.46Å; Q664-K668 PolarHBondContact O-N 2.89Å
665	L	93.2	Very high	91.7	Very high	67 Å²	67	56.5 Å²	56.5	35%	0.351	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-45.8	177.2	-172.7	70.3	0	0	0	109.8	N662 A667 K668 E669	N662-L665 HydrophobicContact CB-CB 3.87Å; N662-L665 PolarHBondContact O-N 3.26Å; N662-L665 WeakPolarHBondContact OD1-CB 3.38Å; N662-L665 PolarHBondContact OD1-N 3.06Å; L665-A667 VanDerWaalsContact C-N 3.34Å; L665-A667 PolarHBondContact O-N 3.03Å; L665-K668 CarbonylContact O-C 3.59Å; L665-K668 PolarHBondContact O-N 2.91Å; L665-K668 VanDerWaalsContact O-N 3.14Å; L665-E669 HydrophobicContact CD1-CG 4.35Å; L665-E669 HydrophobicContact CG-CG 4.17Å; L665-E669 WeakPolarHBondContact O-CB 3.23Å; L665-E669 VanDerWaalsContact O-CG 3.28Å; L665-E669 WeakPolarHBondContact O-CG 3.19Å; L665-E669 PolarHBondContact O-N 3.04Å
666	A	93.5	Very high	92.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-47	176.6	0	0	0	0	0	112.5	S647 F648 I660 N662 E669 W670 M684	S647-A666 WeakPolarHBondContact OG-CA 3.4Å; S647-A666 WeakPolarHBondContact OG-CB 3.48Å; S647-A666 PolarHBondContact OG-N 3.46Å; F648-A666 HydrophobicContact CE1-CB 4.1Å; F648-A666 HydrophobicContact CE2-CB 4.03Å; F648-A666 HydrophobicContact CZ-CB 3.6Å; I660-A666 HydrophobicContact CG2-CB 3.77Å; N662-A666 WeakPolarHBondContact O-CB 3.37Å; N662-A666 PolarHBondContact O-N 3.32Å; A666-E669 PolarHBondContact O-N 3.01Å; A666-W670 WeakPolarHBondContact O-CB 3.28Å; A666-W670 PolarHBondContact O-N 2.95Å; A666-M684 HydrophobicContact CB-CE 3.7Å; A666-M684 HydrophobicContact CB-SD 4.2Å
667	A	94.6	Very high	92.3	Very high	2 Å²	2	67 Å²	67	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-41.2	176.6	0	0	0	0	0	112.5	T663 Q664 L665 G671 M679 D680	T663-A667 WeakPolarHBondContact O-CB 3.43Å; T663-A667 PolarHBondContact O-N 3.16Å; Q664-A667 PolarHBondContact O-N 3.29Å; L665-A667 VanDerWaalsContact C-N 3.34Å; L665-A667 PolarHBondContact O-N 3.03Å; A667-G671 WeakPolarHBondContact O-CA 3.25Å; A667-G671 PolarHBondContact O-N 3.5Å; A667-M679 WeakPolarHBondContact CB-O 3.21Å; A667-M679 VanDerWaalsContact O-CG 3.29Å; A667-M679 WeakPolarHBondContact O-CG 3.4Å; A667-D680 VanDerWaalsContact CB-C 3.46Å
668	K	93.9	Very high	92.5	Very high	129 Å²	129	70.1 Å²	70.1	56%	0.561	33%	0.333	S	S	*	.	H	α-helix	trans	-65.9	-40.1	175.2	-73.9	164.3	-176.9	165.7	0	112.4	Q664 L665 H672	Q664-K668 WeakPolarHBondContact O-CB 3.32Å; Q664-K668 WeakPolarHBondContact O-CD 3.2Å; Q664-K668 WeakPolarHBondContact O-CG 3.46Å; Q664-K668 PolarHBondContact O-N 2.89Å; L665-K668 CarbonylContact O-C 3.59Å; L665-K668 PolarHBondContact O-N 2.91Å; L665-K668 VanDerWaalsContact O-N 3.14Å; K668-H672 VanDerWaalsContact O-CB 3.25Å; K668-H672 WeakPolarHBondContact O-CB 3.29Å; K668-H672 PolarHBondContact O-N 3.26Å
669	E	92.3	Very high	92.6	Very high	36 Å²	36	71.3 Å²	71.3	17%	0.168	34%	0.339	C	S	.	.	H	α-helix	trans	-69.4	-45.2	178.6	-69.3	-172.4	139.2	0	0	111.5	F635 R639 S646 S647 L665 A666 H672 Y673	F635-E669 HydrophobicContact CZ-CB 3.99Å; R639-E669 VanDerWaalsContact CZ-CD 3.47Å; R639-E669 IonicContact CZ-OE1 3.58Å; R639-E669 IonicContact CZ-OE2 3.81Å; R639-E669 VanDerWaalsContact CZ-OE2 3.24Å; R639-E669 IonicContact NH1-OE1 2.66Å; R639-E669 PolarHBondContact NH1-OE1 2.84Å; R639-E669 IonicContact NH1-OE2 3.43Å; R639-E669 PolarHBondContact NH1-OE2 2.8Å; R639-E669 IonicContact NH2-OE1 2.98Å; R639-E669 PolarHBondContact NH2-OE1 2.72Å; R639-E669 IonicContact NH2-OE2 3.67Å; R639-E669 PolarHBondContact NH2-OE2 3.08Å; S646-E669 PolarHBondContact OG-OE2 2.78Å; S647-E669 PolarHBondContact OG-OE2 3.29Å; L665-E669 HydrophobicContact CD1-CG 4.35Å; L665-E669 HydrophobicContact CG-CG 4.17Å; L665-E669 WeakPolarHBondContact O-CB 3.23Å; L665-E669 VanDerWaalsContact O-CG 3.28Å; L665-E669 WeakPolarHBondContact O-CG 3.19Å; L665-E669 PolarHBondContact O-N 3.04Å; A666-E669 PolarHBondContact O-N 3.01Å; E669-H672 PolarHBondContact O-N 3.42Å; E669-Y673 PolarHBondContact O-N 2.86Å
670	W	93.4	Very high	92.7	Very high	18 Å²	18	71 Å²	71	7%	0.068	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-42.3	173.2	174.1	-127.2	0	0	0	112	L632 F635 A666 Y673 R674 M684	L632-W670 HydrophobicContact CB-CH2 3.83Å; L632-W670 HydrophobicContact CB-CZ2 3.75Å; L632-W670 HydrophobicContact CB-CZ3 4.48Å; L632-W670 HydrophobicContact CD1-CD2 3.63Å; L632-W670 HydrophobicContact CD1-CE3 3.92Å; L632-W670 HydrophobicContact CD1-CG 3.98Å; L632-W670 HydrophobicContact CD1-CH2 4.24Å; L632-W670 HydrophobicContact CD1-CZ2 4.01Å; L632-W670 HydrophobicContact CD1-CZ3 4.22Å; L632-W670 HydrophobicContact CD2-CZ2 4.43Å; L632-W670 HydrophobicContact CG-CZ2 4.27Å; F635-W670 HydrophobicContact CB-CE3 3.87Å; F635-W670 HydrophobicContact CB-CZ3 3.66Å; F635-W670 HydrophobicContact CD1-CB 4.29Å; F635-W670 HydrophobicContact CD1-CD2 4.39Å; F635-W670 AromaticContact CD1-CE3 3.65Å; F635-W670 HydrophobicContact CD1-CE3 3.65Å; F635-W670 HydrophobicContact CD1-CZ3 4.33Å; F635-W670 HydrophobicContact CD2-CE3 4.09Å; F635-W670 HydrophobicContact CD2-CZ3 4.44Å; F635-W670 HydrophobicContact CE1-CB 3.82Å; F635-W670 HydrophobicContact CE1-CE3 4.19Å; F635-W670 AromaticContact CG-CE3 3.59Å; F635-W670 HydrophobicContact CG-CE3 3.59Å; F635-W670 AromaticContact CG-CZ3 3.91Å; F635-W670 HydrophobicContact CG-CZ3 3.91Å; F635-W670 HydrophobicContact CZ-CB 4.35Å; A666-W670 WeakPolarHBondContact O-CB 3.28Å; A666-W670 PolarHBondContact O-N 2.95Å; W670-Y673 AromaticContact CE3-CD1 3.89Å; W670-Y673 HydrophobicContact CE3-CD1 3.89Å; W670-Y673 AromaticContact CZ3-CD1 3.65Å; W670-Y673 HydrophobicContact CZ3-CD1 3.65Å; W670-Y673 HydrophobicContact CZ3-CE1 4.12Å; W670-Y673 PolarHBondContact O-N 3.47Å; W670-R674 HydrophobicContact CD2-CG 3.67Å; W670-R674 HydrophobicContact CE3-CG 3.85Å; W670-R674 HydrophobicContact CG-CG 4.41Å; W670-R674 VanDerWaalsContact CH2-CD 3.49Å; W670-R674 HydrophobicContact CH2-CG 3.85Å; W670-R674 HydrophobicContact CZ2-CG 3.62Å; W670-R674 HydrophobicContact CZ3-CG 3.94Å; W670-R674 WeakPolarHBondContact O-CB 3.39Å; W670-R674 WeakPolarHBondContact O-CG 3.27Å; W670-R674 PolarHBondContact O-N 3.02Å; W670-M684 HydrophobicContact CB-SD 4Å; W670-M684 HydrophobicContact CG-CG 4.37Å; W670-M684 HydrophobicContact CG-SD 4.34Å
671	G	94	Very high	92.7	Very high	2 Å²	2	73 Å²	73	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-47	174.7	0	0	0	0	0	112.3	A667 Y673 R674 N675 N676 M679	A667-G671 WeakPolarHBondContact O-CA 3.25Å; A667-G671 PolarHBondContact O-N 3.5Å; G671-Y673 PolarHBondContact O-N 2.63Å; G671-R674 CarbonylContact O-C 3.41Å; G671-R674 PolarHBondContact O-N 2.65Å; G671-N675 CarbonylContact O-C 3.57Å; G671-N675 WeakPolarHBondContact O-CA 3.36Å; G671-N675 PolarHBondContact O-N 3.28Å; G671-N676 CarbonylContact C-O 3.46Å; G671-N676 VanDerWaalsContact C-O 3.25Å; G671-N676 WeakPolarHBondContact CA-O 3.49Å; G671-N676 PolarHBondContact O-N 3.22Å; G671-M679 VanDerWaalsContact CA-CB 3.47Å
672	H	91.9	Very high	92.9	Very high	93 Å²	93	74.1 Å²	74.1	43%	0.431	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-47.3	174	-172.7	99.3	0	0	0	111.5	H547 K668 E669 R674 N675	H547-H672 AromaticContact CE1-NE2 3.88Å; H547-H672 AromaticContact CG-NE2 3.94Å; H547-H672 AromaticContact ND1-CD2 3.62Å; H547-H672 AromaticContact ND1-NE2 2.96Å; H547-H672 PolarHBondContact ND1-NE2 3.41Å; K668-H672 VanDerWaalsContact O-CB 3.25Å; K668-H672 WeakPolarHBondContact O-CB 3.29Å; K668-H672 PolarHBondContact O-N 3.26Å; E669-H672 PolarHBondContact O-N 3.42Å; H672-R674 PolarHBondContact O-N 3.3Å; H672-N675 PolarHBondContact O-N 3.2Å; H672-N675 VanDerWaalsContact O-N 3.08Å
673	Y	91	Very high	93	Very high	53 Å²	53	75.8 Å²	75.8	21%	0.208	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-40.1	176.9	178	-97.4	0	0	0	113.1	L544 M630 F635 E669 W670 G671 N675	L544-Y673 HydrophobicContact CD1-CD2 4.34Å; L544-Y673 HydrophobicContact CD1-CE2 4.25Å; M630-Y673 HydrophobicContact CB-CE1 3.66Å; M630-Y673 WeakPolarHBondContact CB-OH 3.44Å; M630-Y673 HydrophobicContact CE-CD1 4.46Å; M630-Y673 HydrophobicContact CE-CD2 4.17Å; M630-Y673 HydrophobicContact CE-CE1 4.08Å; M630-Y673 HydrophobicContact CE-CE2 3.75Å; M630-Y673 PolarHBondContact N-OH 2.83Å; F635-Y673 HydrophobicContact CD2-CD1 4.14Å; F635-Y673 HydrophobicContact CD2-CD2 4.43Å; F635-Y673 AromaticContact CD2-CG 3.9Å; F635-Y673 HydrophobicContact CD2-CG 3.9Å; F635-Y673 HydrophobicContact CE2-CG 4.03Å; E669-Y673 PolarHBondContact O-N 2.86Å; W670-Y673 AromaticContact CE3-CD1 3.89Å; W670-Y673 HydrophobicContact CE3-CD1 3.89Å; W670-Y673 AromaticContact CZ3-CD1 3.65Å; W670-Y673 HydrophobicContact CZ3-CD1 3.65Å; W670-Y673 HydrophobicContact CZ3-CE1 4.12Å; W670-Y673 PolarHBondContact O-N 3.47Å; G671-Y673 PolarHBondContact O-N 2.63Å; Y673-N675 PolarHBondContact O-N 3.2Å
674	R	90.8	Very high	93	Very high	92 Å²	92	73 Å²	73	35%	0.347	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.8	175.6	-65.8	-60.7	-60.9	-176.3	10.9	113.7	W670 G671 H672 N676	W670-R674 HydrophobicContact CD2-CG 3.67Å; W670-R674 HydrophobicContact CE3-CG 3.85Å; W670-R674 HydrophobicContact CG-CG 4.41Å; W670-R674 VanDerWaalsContact CH2-CD 3.49Å; W670-R674 HydrophobicContact CH2-CG 3.85Å; W670-R674 HydrophobicContact CZ2-CG 3.62Å; W670-R674 HydrophobicContact CZ3-CG 3.94Å; W670-R674 WeakPolarHBondContact O-CB 3.39Å; W670-R674 WeakPolarHBondContact O-CG 3.27Å; W670-R674 PolarHBondContact O-N 3.02Å; G671-R674 CarbonylContact O-C 3.41Å; G671-R674 PolarHBondContact O-N 2.65Å; H672-R674 PolarHBondContact O-N 3.3Å; R674-N676 HydrophobicContact CB-CB 4.45Å; R674-N676 PolarHBondContact O-N 3.28Å
675	N	91.6	Very high	93	Very high	135 Å²	135	67.5 Å²	67.5	72%	0.722	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	29.9	-170.8	-152.7	100.6	0	0	0	113.6	G671 H672 Y673	G671-N675 CarbonylContact O-C 3.57Å; G671-N675 WeakPolarHBondContact O-CA 3.36Å; G671-N675 PolarHBondContact O-N 3.28Å; H672-N675 PolarHBondContact O-N 3.2Å; H672-N675 VanDerWaalsContact O-N 3.08Å; Y673-N675 PolarHBondContact O-N 3.2Å
676	N	91	Very high	93	Very high	64 Å²	64	70.6 Å²	70.6	34%	0.342	32%	0.324	S	S	.	.			trans	-109.9	112.6	176.1	179.7	7.9	0	0	0	110	G671 R674 L678	G671-N676 CarbonylContact C-O 3.46Å; G671-N676 VanDerWaalsContact C-O 3.25Å; G671-N676 WeakPolarHBondContact CA-O 3.49Å; G671-N676 PolarHBondContact O-N 3.22Å; R674-N676 HydrophobicContact CB-CB 4.45Å; R674-N676 PolarHBondContact O-N 3.28Å; N676-L678 VanDerWaalsContact C-N 3.34Å; N676-L678 PolarHBondContact OD1-N 3.43Å
677	K	90.9	Very high	92.8	Very high	206 Å²	206	73.6 Å²	73.6	90%	0.896	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.9	178.4	-62.1	-177.8	-178.9	179.9	0	113.9	M679	K677-M679 VanDerWaalsContact C-N 3.29Å; K677-M679 PolarHBondContact O-N 3.3Å
678	L	93.1	Very high	92.6	Very high	125 Å²	125	74.3 Å²	74.3	65%	0.654	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	34.6	180	-54.7	177.5	0	0	0	111.2	N676 K683	N676-L678 VanDerWaalsContact C-N 3.34Å; N676-L678 PolarHBondContact OD1-N 3.43Å; L678-K683 WeakPolarHBondContact O-CD 3.44Å; L678-K683 PolarHBondContact O-NZ 3.45Å
679	M	92.9	Very high	92.3	Very high	27 Å²	27	74 Å²	74	13%	0.133	35%	0.347	C	S	.	.			trans	-95.1	111.2	176.9	-177.1	61.5	68.3	0	0	109.1	A667 G671 K677 K683 M684	A667-M679 WeakPolarHBondContact CB-O 3.21Å; A667-M679 VanDerWaalsContact O-CG 3.29Å; A667-M679 WeakPolarHBondContact O-CG 3.4Å; G671-M679 VanDerWaalsContact CA-CB 3.47Å; K677-M679 VanDerWaalsContact C-N 3.29Å; K677-M679 PolarHBondContact O-N 3.3Å; M679-K683 HydrophobicContact SD-CB 4.04Å; M679-M684 HydrophobicContact SD-CB 4.23Å
680	D	94.7	Very high	92.3	Very high	84 Å²	84	76 Å²	76	45%	0.449	36%	0.356	S	S	.	.			trans	-111.3	165.2	-179.2	-48.7	-58.7	0	0	0	110	A667 E682 K683 M684	A667-D680 VanDerWaalsContact CB-C 3.46Å; D680-E682 VanDerWaalsContact C-N 3.33Å; D680-E682 PolarHBondContact O-N 2.81Å; D680-K683 HydrophobicContact CB-CD 4.31Å; D680-K683 PolarHBondContact O-N 3.25Å; D680-K683 WeakPolarHBondContact OD2-CE 3.35Å; D680-K683 IonicContact OD2-NZ 2.94Å; D680-K683 PolarHBondContact OD2-NZ 3.46Å; D680-M684 PolarHBondContact O-N 3.21Å; D680-M684 VanDerWaalsContact O-N 3.11Å
681	Y	95.1	Very high	92.3	Very high	49 Å²	49	79 Å²	79	19%	0.192	37%	0.371	C	S	.	.	H	α-helix	trans	-58.5	-44.5	-177.3	-175.7	-108.7	0	0	0	112	I660 T663 K683 M684 A685	I660-Y681 HydrophobicContact CD1-CE2 3.87Å; I660-Y681 HydrophobicContact CG2-CE2 4.25Å; T663-Y681 VanDerWaalsContact CB-CD2 3.42Å; T663-Y681 HydrophobicContact CG2-CD1 4.03Å; T663-Y681 HydrophobicContact CG2-CD2 3.75Å; T663-Y681 HydrophobicContact CG2-CE1 3.88Å; T663-Y681 HydrophobicContact CG2-CE2 3.61Å; T663-Y681 HydrophobicContact CG2-CG 3.96Å; Y681-K683 VanDerWaalsContact C-N 3.32Å; Y681-K683 PolarHBondContact O-N 2.76Å; Y681-M684 HydrophobicContact CD2-CE 3.58Å; Y681-M684 HydrophobicContact CE2-CE 3.66Å; Y681-M684 CarbonylContact O-C 3.55Å; Y681-M684 PolarHBondContact O-N 3.24Å; Y681-M684 VanDerWaalsContact O-N 3.1Å; Y681-A685 HydrophobicContact CD1-CB 4.23Å; Y681-A685 HydrophobicContact CE1-CB 3.95Å; Y681-A685 HydrophobicContact CE2-CB 4.5Å; Y681-A685 WeakPolarHBondContact O-CB 3.37Å; Y681-A685 PolarHBondContact O-N 3.45Å
682	E	93.8	Very high	92.2	Very high	120 Å²	120	83.3 Å²	83.3	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-56.6	-42.9	178.6	-65	-46.4	111.4	0	0	113.6	D680 A685 R686	D680-E682 VanDerWaalsContact C-N 3.33Å; D680-E682 PolarHBondContact O-N 2.81Å; E682-A685 PolarHBondContact O-N 3.16Å; E682-R686 WeakPolarHBondContact O-CB 3.49Å; E682-R686 PolarHBondContact O-N 2.94Å
683	K	94.1	Very high	92.2	Very high	109 Å²	109	82.7 Å²	82.7	47%	0.474	39%	0.389	S	S	.	.	H	α-helix	trans	-66	-39.5	178.6	-66.9	164	178.9	161.4	0	111.3	L678 M679 D680 Y681	L678-K683 WeakPolarHBondContact O-CD 3.44Å; L678-K683 PolarHBondContact O-NZ 3.45Å; M679-K683 HydrophobicContact SD-CB 4.04Å; D680-K683 HydrophobicContact CB-CD 4.31Å; D680-K683 PolarHBondContact O-N 3.25Å; D680-K683 WeakPolarHBondContact OD2-CE 3.35Å; D680-K683 IonicContact OD2-NZ 2.94Å; D680-K683 PolarHBondContact OD2-NZ 3.46Å; Y681-K683 VanDerWaalsContact C-N 3.32Å; Y681-K683 PolarHBondContact O-N 2.76Å
684	M	93.7	Very high	92.2	Very high	0 Å²	0	84.6 Å²	84.6	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-71.9	-43.5	175.2	-173.5	-171.5	73.2	0	0	111.4	L632 F648 I660 A666 W670 M679 D680 Y681 R686 A687 I688	L632-M684 HydrophobicContact CD1-CG 4.18Å; L632-M684 HydrophobicContact CD2-CG 3.92Å; F648-M684 HydrophobicContact CZ-CE 4.43Å; F648-M684 HydrophobicContact CZ-SD 4.28Å; I660-M684 HydrophobicContact CD1-CE 4.24Å; A666-M684 HydrophobicContact CB-CE 3.7Å; A666-M684 HydrophobicContact CB-SD 4.2Å; W670-M684 HydrophobicContact CB-SD 4Å; W670-M684 HydrophobicContact CG-CG 4.37Å; W670-M684 HydrophobicContact CG-SD 4.34Å; M679-M684 HydrophobicContact SD-CB 4.23Å; D680-M684 PolarHBondContact O-N 3.21Å; D680-M684 VanDerWaalsContact O-N 3.11Å; Y681-M684 HydrophobicContact CD2-CE 3.58Å; Y681-M684 HydrophobicContact CE2-CE 3.66Å; Y681-M684 CarbonylContact O-C 3.55Å; Y681-M684 PolarHBondContact O-N 3.24Å; Y681-M684 VanDerWaalsContact O-N 3.1Å; M684-R686 VanDerWaalsContact C-N 3.31Å; M684-R686 PolarHBondContact O-N 3.5Å; M684-A687 CarbonylContact O-C 3.43Å; M684-A687 WeakPolarHBondContact O-CA 3.21Å; M684-A687 PolarHBondContact O-N 3.11Å; M684-I688 HydrophobicContact CE-CD1 3.88Å; M684-I688 HydrophobicContact CG-CD1 4.14Å; M684-I688 WeakPolarHBondContact O-CG1 3.36Å; M684-I688 PolarHBondContact O-N 3.27Å
685	A	93.2	Very high	92.3	Very high	7 Å²	7	84.1 Å²	84.1	6%	0.058	40%	0.403	C	S	.	.	H	α-helix	trans	-66.7	-28.3	-179.8	0	0	0	0	0	112.6	Y681 E682 A687 R689	Y681-A685 HydrophobicContact CD1-CB 4.23Å; Y681-A685 HydrophobicContact CE1-CB 3.95Å; Y681-A685 HydrophobicContact CE2-CB 4.5Å; Y681-A685 WeakPolarHBondContact O-CB 3.37Å; Y681-A685 PolarHBondContact O-N 3.45Å; E682-A685 PolarHBondContact O-N 3.16Å; A685-A687 VanDerWaalsContact C-N 3.32Å; A685-R689 WeakPolarHBondContact O-CB 3.22Å; A685-R689 WeakPolarHBondContact O-CG 3.4Å; A685-R689 PolarHBondContact O-N 2.94Å; A685-R689 PolarHBondContact O-NE 3.46Å
686	R	92.8	Very high	92.4	Very high	132 Å²	132	80.4 Å²	80.4	50%	0.498	38%	0.381	S	S	.	.	H	α-helix	trans	-77.2	-15	169	-171.8	62	-157	100.4	-21.8	113.6	E682 M684 R689	E682-R686 WeakPolarHBondContact O-CB 3.49Å; E682-R686 PolarHBondContact O-N 2.94Å; M684-R686 VanDerWaalsContact C-N 3.31Å; M684-R686 PolarHBondContact O-N 3.5Å; R686-R689 PolarHBondContact NH1-OXT 3.33Å
687	A	90.9	Very high	92.5	Very high	63 Å²	63	81.7 Å²	81.7	52%	0.521	38%	0.384	S	S	.	.	H	α-helix	trans	-99.8	-10.6	170.9	0	0	0	0	0	113.3	L632 M684 A685	L632-A687 HydrophobicContact CD2-CB 3.79Å; M684-A687 CarbonylContact O-C 3.43Å; M684-A687 WeakPolarHBondContact O-CA 3.21Å; M684-A687 PolarHBondContact O-N 3.11Å; A685-A687 VanDerWaalsContact C-N 3.32Å
688	I	89.8	Confident	92.6	Very high	17 Å²	17	71.3 Å²	71.3	9%	0.087	34%	0.341	C	S	.	.	H	α-helix	trans	-79.3	-49.9	164.1	-72.4	173.4	0	0	0	108.9	I203 F219 L632 I636 I660 M684	I203-I688 HydrophobicContact CD1-CG2 3.67Å; I203-I688 WeakPolarHBondContact CD1-O 3.25Å; I203-I688 VanDerWaalsContact CG1-O 3.24Å; I203-I688 WeakPolarHBondContact CG1-O 3.48Å; F219-I688 HydrophobicContact CD1-CG2 3.74Å; F219-I688 HydrophobicContact CE1-CG2 3.6Å; L632-I688 HydrophobicContact CD2-CG1 3.76Å; L632-I688 HydrophobicContact CG-CG1 4.25Å; I636-I688 HydrophobicContact CD1-CD1 3.86Å; I636-I688 HydrophobicContact CD1-CG1 3.91Å; I660-I688 HydrophobicContact CD1-CD1 4.01Å; M684-I688 HydrophobicContact CE-CD1 3.88Å; M684-I688 HydrophobicContact CG-CD1 4.14Å; M684-I688 WeakPolarHBondContact O-CG1 3.36Å; M684-I688 PolarHBondContact O-N 3.27Å
689	R	87.7	Confident	92.6	Very high	123 Å²	123	66.5 Å²	66.5	46%	0.464	31%	0.312	S	S	.	.			trans	-64.5	0	175.3	-75.5	-178.8	-74.8	177.1	-8.6	113.4	N202 I203 A685 R686	N202-R689 CarbonylContact C-O 3.48Å; N202-R689 WeakPolarHBondContact CA-O 3.39Å; I203-R689 PolarHBondContact N-O 2.97Å; A685-R689 WeakPolarHBondContact O-CB 3.22Å; A685-R689 WeakPolarHBondContact O-CG 3.4Å; A685-R689 PolarHBondContact O-N 2.94Å; A685-R689 PolarHBondContact O-NE 3.46Å; R686-R689 PolarHBondContact NH1-OXT 3.33Å

Retrieved 689 of 689 residues in 601.4 ms (Link to these results)

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