A0A3Q0KQ98_SCHMA Loading...

Protein phosphatase 1 binding protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KQ98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 690 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	42	Very low	235 Å²	235	140.1 Å²	140.1	100%	1.158	76%	0.756	S	S	*	*				0	80.7	0	-69.2	166.3	165.6	0	0	106.1
2	S	37.7	Very low	42	Very low	96 Å²	96	142.6 Å²	142.6	67%	0.671	76%	0.755	S	S	*	*				69.3	125	62.3	73.9	0	0	0	0	113.1
3	D	42.3	Very low	41.8	Very low	144 Å²	144	141.3 Å²	141.3	77%	0.77	76%	0.756	S	S	*	*			cis	-161.9	173.9	-8.4	-110.7	-44.3	0	0	0	112.5
4	T	46.2	Very low	41.7	Very low	110 Å²	110	139.6 Å²	139.6	68%	0.675	76%	0.761	S	S	*	*			trans	0.4	124.9	159.8	55.4	0	0	0	0	118.7
5	S	40.2	Very low	41.4	Very low	93 Å²	93	139.9 Å²	139.9	65%	0.65	77%	0.769	S	S	*	*				69.9	118.6	58.6	80.9	0	0	0	0	116.7
6	H	47.9	Very low	41.5	Very low	173 Å²	173	135.8 Å²	135.8	80%	0.801	77%	0.768	S	S	*	*			trans	-179.2	127.5	148.4	-83.4	-55.1	0	0	0	106.5
7	Q	43.7	Very low	41.5	Very low	164 Å²	164	139 Å²	139	77%	0.766	78%	0.775	S	S	*	*			cis	95.8	139.5	22.4	-152.6	-174.3	21.3	0	0	114.5
8	N	39.9	Very low	41.4	Very low	136 Å²	136	137.2 Å²	137.2	73%	0.727	77%	0.773	S	S	*	*			trans	93.2	146.4	173.1	-56.8	-16	0	0	0	117.8
9	S	42.2	Very low	41.2	Very low	87 Å²	87	134.1 Å²	134.1	61%	0.608	78%	0.775	S	S	*	*			cis	-176.2	131.6	-27.1	50.5	0	0	0	0	111.4
10	E	41.4	Very low	41.1	Very low	175 Å²	175	132.8 Å²	132.8	82%	0.818	77%	0.774	S	S	*	*			trans	62.3	162.8	145.3	-62.4	-174.4	115.5	0	0	119
11	L	41.2	Very low	41	Very low	128 Å²	128	135.2 Å²	135.2	67%	0.67	78%	0.778	S	S	*	*			cis	-146.8	154.5	-3.5	-151.7	85	0	0	0	111.9
12	K	42.2	Very low	41	Very low	170 Å²	170	129.1 Å²	129.1	74%	0.739	76%	0.759	S	S	*	*			trans	-10.8	164	144.6	-61.1	175	178.3	172.4	0	119.5
13	T	38.9	Very low	40.9	Very low	126 Å²	126	130.3 Å²	130.3	77%	0.773	76%	0.762	S	S	*	*			cis	-176.9	163	-4	28.4	0	0	0	0	109.2
14	S	41.3	Very low	40.6	Very low	118 Å²	118	130.6 Å²	130.6	83%	0.825	76%	0.762	S	S	*	*				151.5	133.6	121.7	-166.8	0	0	0	0	114.9
15	T	36.8	Very low	40	Very low	144 Å²	144	131 Å²	131	88%	0.883	77%	0.769	S	S	*	*			trans	-83.5	164	-178.5	-27.4	0	0	0	0	113.6
16	G	42.1	Very low	39.9	Very low	73 Å²	73	131.9 Å²	131.9	75%	0.753	78%	0.775	S	S	*	*			trans	-164.2	131.7	169.8	0	0	0	0	0	116.4
17	H	42	Very low	39.3	Very low	191 Å²	191	131 Å²	131	88%	0.884	78%	0.777	S	S	*	*			trans	-64.1	174.2	173.5	-74.7	-64.4	0	0	0	115.2
18	S	39.1	Very low	39.3	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	78%	0.779	S	S	*	*			cis	-178.9	149.1	-20	55.5	0	0	0	0	111.2
19	G	38.5	Very low	38.9	Very low	79 Å²	79	131.7 Å²	131.7	81%	0.814	78%	0.784	S	S	*	*			trans	74.8	170.2	167	0	0	0	0	0	115.8
20	S	39.9	Very low	38.7	Very low	108 Å²	108	133.7 Å²	133.7	76%	0.755	79%	0.793	S	S	*	*			cis	-166.7	139.4	-13	49.3	0	0	0	0	111.6
21	E	38.5	Very low	38.4	Very low	183 Å²	183	131.5 Å²	131.5	86%	0.855	78%	0.782	S	S	*	*			trans	63.3	145.8	156.4	-62.9	-171.6	128	0	0	123.2
22	S	38.7	Very low	38.1	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	79%	0.789	S	S	*	*			trans	89.9	100.9	145.9	71.7	0	0	0	0	122.6
23	T	35.4	Very low	37.7	Very low	120 Å²	120	132.9 Å²	132.9	74%	0.736	79%	0.79	S	S	*	*				90.1	95.5	114.9	-54.4	0	0	0	0	121.4
24	I	37	Very low	37.5	Very low	150 Å²	150	133.3 Å²	133.3	77%	0.769	79%	0.793	S	S	*	*			trans	85.4	124.4	133.8	-67.1	177.5	0	0	0	121.2
25	S	32.7	Very low	37.1	Very low	118 Å²	118	133.4 Å²	133.4	83%	0.825	79%	0.794	S	S	*	*			trans	57.3	108.7	154	-63.7	0	0	0	0	122.3
26	S	38.6	Very low	37	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	79%	0.792	S	S	*	*			trans	-148.2	140.7	138.4	65.3	0	0	0	0	110.3
27	D	34.2	Very low	36.5	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	79%	0.791	S	S	*	*			trans	-63.6	149.6	174.4	-50.1	-89.8	0	0	0	112.7
28	I	44.4	Very low	36.4	Very low	158 Å²	158	131.4 Å²	131.4	81%	0.81	79%	0.787	S	S	*	*			trans	-167.3	131.8	149.6	-101.2	146.2	0	0	0	109.5
29	N	32.2	Very low	36.2	Very low	157 Å²	157	137.4 Å²	137.4	84%	0.84	79%	0.793	S	S	*	*			trans	-84.9	139.9	170	-60.4	-75.9	0	0	0	110.4
30	T	38.6	Very low	36.4	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	78%	0.782	S	S	*	*			trans	-166.5	125.1	149.7	-75.8	0	0	0	0	110.5
31	E	33.3	Very low	36.8	Very low	128 Å²	128	141.5 Å²	141.5	60%	0.598	79%	0.786	S	S	*	*			trans	-77.9	135.9	165.5	-64.7	-180	112.3	0	0	110.8	R33	E31-R33 VanDerWaalsContact C-N 3.27Å; E31-R33 HydrophobicContact CB-CG 4.04Å; E31-R33 PolarHBondContact O-N 3.06Å; E31-R33 IonicContact OE2-CZ 3.47Å; E31-R33 IonicContact OE2-NE 2.74Å; E31-R33 PolarHBondContact OE2-NE 3.21Å; E31-R33 IonicContact OE2-NH2 3.72Å; E31-R33 PolarHBondContact OE2-NH2 2.9Å
32	P	36.6	Very low	37.7	Very low	124 Å²	124	135.6 Å²	135.6	81%	0.805	76%	0.763	S	S	*	*			trans	-78.5	77.1	161.5	33.4	-32.6	0	0	0	109.8	T34	P32-T34 PolarHBondContact O-N 3.06Å
33	R	32.7	Very low	39.1	Very low	204 Å²	204	133.5 Å²	133.5	77%	0.77	75%	0.748	S	S	*	*			trans	-65.3	104.7	174.8	-72.8	-172.6	178.2	-161.4	-6.3	110.9	E31	E31-R33 VanDerWaalsContact C-N 3.27Å; E31-R33 HydrophobicContact CB-CG 4.04Å; E31-R33 PolarHBondContact O-N 3.06Å; E31-R33 IonicContact OE2-CZ 3.47Å; E31-R33 IonicContact OE2-NE 2.74Å; E31-R33 PolarHBondContact OE2-NE 3.21Å; E31-R33 IonicContact OE2-NH2 3.72Å; E31-R33 PolarHBondContact OE2-NH2 2.9Å
34	T	35.9	Very low	40.9	Very low	135 Å²	135	132.4 Å²	132.4	83%	0.828	74%	0.741	S	S	*	*			trans	-67.3	132.1	165.6	41.4	0	0	0	0	109.8	P32 T36	P32-T34 PolarHBondContact O-N 3.06Å; T34-T36 PolarHBondContact O-N 3.05Å
35	S	32.3	Very low	42.7	Very low	120 Å²	120	133.5 Å²	133.5	84%	0.839	74%	0.736	S	S	*	*			trans	-72.9	113.3	-170.6	54.6	0	0	0	0	112	S37	S35-S37 PolarHBondContact O-N 3.34Å
36	T	34.6	Very low	44.9	Very low	138 Å²	138	131.9 Å²	131.9	85%	0.847	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-66.1	119.8	162.2	37.4	0	0	0	0	109.7	T34	T34-T36 PolarHBondContact O-N 3.05Å
37	S	31.9	Very low	46.7	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-67.3	143.5	168.9	48.8	0	0	0	0	110	S35 R39	S35-S37 PolarHBondContact O-N 3.34Å; S37-R39 PolarHBondContact O-N 3.1Å
38	P	40.4	Very low	49.1	Very low	124 Å²	124	130 Å²	130	81%	0.805	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-66.4	126.4	176.5	27.3	-33.2	0	0	0	109.6
39	R	33.4	Very low	50.8	Low	231 Å²	231	129.1 Å²	129.1	87%	0.872	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-60	139.3	172	-67.2	-176.5	179.3	-173	-0.3	109.3	S37 H41	S37-R39 PolarHBondContact O-N 3.1Å; R39-H41 PolarHBondContact O-N 2.74Å
40	P	42.5	Very low	53.1	Low	88 Å²	88	128.9 Å²	128.9	57%	0.571	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-61.1	125.7	173.7	26.2	-33.4	0	0	0	109.4	V42	P40-V42 PolarHBondContact O-N 3.24Å
41	H	48	Very low	55.3	Low	185 Å²	185	128.9 Å²	128.9	86%	0.856	66%	0.658	S	S	*	*			trans	-77.7	89.4	-177.9	-159.9	-55.8	0	0	0	109.4	R39 S43	R39-H41 PolarHBondContact O-N 2.74Å; H41-S43 PolarHBondContact O-N 2.63Å
42	V	58.2	Low	57.7	Low	60 Å²	60	126.9 Å²	126.9	36%	0.364	65%	0.651	S	S	.	*			trans	-53.2	124.2	176.7	-178.1	0	0	0	0	108.9	P40 V46 Y47	P40-V42 PolarHBondContact O-N 3.24Å; V42-V46 HydrophobicContact CG1-CB 3.95Å; V42-V46 HydrophobicContact CG1-CG1 4.25Å; V42-V46 HydrophobicContact CG1-CG2 4.1Å; V42-Y47 HydrophobicContact CB-CE2 4.24Å; V42-Y47 HydrophobicContact CG1-CD2 4.38Å; V42-Y47 HydrophobicContact CG1-CE2 3.84Å
43	S	69.3	Low	59.6	Low	64 Å²	64	129.8 Å²	129.8	45%	0.448	65%	0.646	S	S	.	*			trans	-67.9	138.6	-176.5	180	0	0	0	0	110.6	H41 W45 V46	H41-S43 PolarHBondContact O-N 2.63Å; S43-W45 PolarHBondContact O-N 3.33Å; S43-V46 WeakPolarHBondContact O-CB 3.48Å; S43-V46 PolarHBondContact O-N 3.13Å
44	T	72.4	Confident	61.7	Low	96 Å²	96	121.6 Å²	121.6	59%	0.589	62%	0.62	S	S	*	*	H	α-helix	trans	-54.6	-27.2	177	-35.1	0	0	0	0	112.4	V46 Y47 I48	T44-V46 VanDerWaalsContact C-N 3.25Å; T44-V46 PolarHBondContact O-N 3.12Å; T44-Y47 PolarHBondContact O-N 2.78Å; T44-I48 HydrophobicContact CG2-CD1 4.34Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 2.66Å
45	W	75.5	Confident	63.9	Low	173 Å²	173	117.9 Å²	117.9	66%	0.655	60%	0.597	S	S	*	*	H	α-helix	trans	-59.3	-29.1	172.4	-98.9	96.5	0	0	0	114.5	S43 K49	S43-W45 PolarHBondContact O-N 3.33Å; W45-K49 HydrophobicContact CE3-CG 4.27Å; W45-K49 WeakPolarHBondContact O-CB 3.36Å; W45-K49 WeakPolarHBondContact O-CG 3.43Å; W45-K49 PolarHBondContact O-N 2.98Å
46	V	79	Confident	66.2	Low	85 Å²	85	115.8 Å²	115.8	52%	0.515	58%	0.576	S	S	.	*	H	α-helix	trans	-69.2	-47.7	176.4	-177.6	0	0	0	0	109.9	V42 S43 T44 I48 K49 W50	V42-V46 HydrophobicContact CG1-CB 3.95Å; V42-V46 HydrophobicContact CG1-CG1 4.25Å; V42-V46 HydrophobicContact CG1-CG2 4.1Å; S43-V46 WeakPolarHBondContact O-CB 3.48Å; S43-V46 PolarHBondContact O-N 3.13Å; T44-V46 VanDerWaalsContact C-N 3.25Å; T44-V46 PolarHBondContact O-N 3.12Å; V46-I48 VanDerWaalsContact C-N 3.35Å; V46-I48 PolarHBondContact O-N 2.99Å; V46-K49 PolarHBondContact O-N 2.99Å; V46-W50 WeakPolarHBondContact O-CB 3.19Å; V46-W50 PolarHBondContact O-N 3.31Å
47	Y	76.4	Confident	68.2	Low	146 Å²	146	109.8 Å²	109.8	57%	0.573	54%	0.54	S	S	*	.	H	α-helix	trans	-62.6	-39.6	175.6	-70.4	-77.5	0	0	0	112.4	V42 T44 W50 F51	V42-Y47 HydrophobicContact CB-CE2 4.24Å; V42-Y47 HydrophobicContact CG1-CD2 4.38Å; V42-Y47 HydrophobicContact CG1-CE2 3.84Å; T44-Y47 PolarHBondContact O-N 2.78Å; Y47-W50 PolarHBondContact O-N 3.41Å; Y47-F51 WeakPolarHBondContact O-CB 3.11Å; Y47-F51 PolarHBondContact O-N 3.43Å
48	I	82.8	Confident	70.2	Confident	82 Å²	82	109.6 Å²	109.6	42%	0.421	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-45.6	175.8	-67.3	165.7	0	0	0	110.9	T44 V46 F51 I52	T44-I48 HydrophobicContact CG2-CD1 4.34Å; T44-I48 WeakPolarHBondContact O-CG1 3.4Å; T44-I48 PolarHBondContact O-N 2.66Å; V46-I48 VanDerWaalsContact C-N 3.35Å; V46-I48 PolarHBondContact O-N 2.99Å; I48-F51 PolarHBondContact O-N 2.99Å; I48-I52 HydrophobicContact CG2-CD1 3.83Å; I48-I52 VanDerWaalsContact O-CG1 3.3Å; I48-I52 WeakPolarHBondContact O-CG1 3.23Å; I48-I52 PolarHBondContact O-N 3.21Å
49	K	80.1	Confident	72	Confident	138 Å²	138	109.9 Å²	109.9	60%	0.6	53%	0.532	S	S	*	.	H	α-helix	trans	-61.9	-44.5	175.1	-81.9	-172.3	172.9	-170.1	0	112.1	W45 V46 I52 W53	W45-K49 HydrophobicContact CE3-CG 4.27Å; W45-K49 WeakPolarHBondContact O-CB 3.36Å; W45-K49 WeakPolarHBondContact O-CG 3.43Å; W45-K49 PolarHBondContact O-N 2.98Å; V46-K49 PolarHBondContact O-N 2.99Å; K49-I52 PolarHBondContact O-N 3.47Å; K49-W53 PolarHBondContact O-N 3.46Å
50	W	81.8	Confident	74.1	Confident	153 Å²	153	106.3 Å²	106.3	58%	0.58	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-42.6	177.2	-179.5	85.4	0	0	0	111.8	V46 Y47 W53 S54	V46-W50 WeakPolarHBondContact O-CB 3.19Å; V46-W50 PolarHBondContact O-N 3.31Å; Y47-W50 PolarHBondContact O-N 3.41Å; W50-W53 PolarHBondContact O-N 2.91Å; W50-S54 WeakPolarHBondContact O-CB 3.3Å; W50-S54 PolarHBondContact O-N 3.29Å
51	F	83.2	Confident	74.5	Confident	129 Å²	129	105.6 Å²	105.6	57%	0.566	53%	0.532	S	S	*	.	H	α-helix	trans	-65.1	-41	176.8	-172.2	-94.6	0	0	0	112.3	Y47 I48 S54 T55	Y47-F51 WeakPolarHBondContact O-CB 3.11Å; Y47-F51 PolarHBondContact O-N 3.43Å; I48-F51 PolarHBondContact O-N 2.99Å; F51-S54 PolarHBondContact O-N 3.29Å; F51-T55 HydrophobicContact CD1-CG2 4.27Å; F51-T55 HydrophobicContact CE1-CG2 3.87Å; F51-T55 HydrophobicContact CZ-CG2 4.01Å; F51-T55 WeakPolarHBondContact O-CG2 3.42Å; F51-T55 PolarHBondContact O-N 2.72Å; F51-T55 PolarHBondContact O-OG1 3.29Å
52	I	84.7	Confident	74.8	Confident	85 Å²	85	100.6 Å²	100.6	44%	0.436	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-44.2	175	-69	166.5	0	0	0	111.1	I48 K49 S54 T55 I56	I48-I52 HydrophobicContact CG2-CD1 3.83Å; I48-I52 VanDerWaalsContact O-CG1 3.3Å; I48-I52 WeakPolarHBondContact O-CG1 3.23Å; I48-I52 PolarHBondContact O-N 3.21Å; K49-I52 PolarHBondContact O-N 3.47Å; I52-S54 VanDerWaalsContact C-N 3.34Å; I52-T55 PolarHBondContact O-OG1 3.36Å; I52-I56 HydrophobicContact CG2-CD1 3.78Å; I52-I56 WeakPolarHBondContact O-CB 3.35Å; I52-I56 WeakPolarHBondContact O-CD1 3.45Å; I52-I56 WeakPolarHBondContact O-CG1 3.38Å; I52-I56 PolarHBondContact O-N 3.1Å
53	W	76.4	Confident	74.4	Confident	185 Å²	185	102 Å²	102	70%	0.701	53%	0.529	S	S	*	.	H	α-helix	trans	-67.4	-35	176.4	-111.5	64	0	0	0	112.5	K49 W50 I56 A57	K49-W53 PolarHBondContact O-N 3.46Å; W50-W53 PolarHBondContact O-N 2.91Å; W53-I56 PolarHBondContact O-N 3.49Å; W53-A57 VanDerWaalsContact O-CB 3.24Å; W53-A57 WeakPolarHBondContact O-CB 3.46Å; W53-A57 PolarHBondContact O-N 3.29Å
54	S	77.6	Confident	73.4	Confident	32 Å²	32	102 Å²	102	22%	0.224	52%	0.523	C	S	.	.	H	α-helix	trans	-68.5	-44	177.7	-177.1	0	0	0	0	112.3	W50 F51 I52 A57 S58	W50-S54 WeakPolarHBondContact O-CB 3.3Å; W50-S54 PolarHBondContact O-N 3.29Å; F51-S54 PolarHBondContact O-N 3.29Å; I52-S54 VanDerWaalsContact C-N 3.34Å; S54-A57 PolarHBondContact O-N 2.99Å; S54-S58 VanDerWaalsContact O-CB 3.26Å; S54-S58 WeakPolarHBondContact O-CB 3.3Å; S54-S58 PolarHBondContact O-N 3.12Å
55	T	81.7	Confident	72	Confident	58 Å²	58	101.7 Å²	101.7	36%	0.356	52%	0.523	S	S	.	.	H	α-helix	trans	-67.3	-36.7	174.2	52.9	0	0	0	0	112.3	F51 I52 I59	F51-T55 HydrophobicContact CD1-CG2 4.27Å; F51-T55 HydrophobicContact CE1-CG2 3.87Å; F51-T55 HydrophobicContact CZ-CG2 4.01Å; F51-T55 WeakPolarHBondContact O-CG2 3.42Å; F51-T55 PolarHBondContact O-N 2.72Å; F51-T55 PolarHBondContact O-OG1 3.29Å; I52-T55 PolarHBondContact O-OG1 3.36Å; T55-I59 WeakPolarHBondContact O-CD1 3.24Å; T55-I59 VanDerWaalsContact O-CG1 3.23Å; T55-I59 WeakPolarHBondContact O-CG1 3.39Å; T55-I59 PolarHBondContact O-N 3.37Å; T55-I59 VanDerWaalsContact O-N 3.16Å
56	I	81	Confident	70.5	Confident	76 Å²	76	100 Å²	100	39%	0.39	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-51.5	172.6	-71.4	168.6	0	0	0	110.9	I52 W53 S58 I59 F60	I52-I56 HydrophobicContact CG2-CD1 3.78Å; I52-I56 WeakPolarHBondContact O-CB 3.35Å; I52-I56 WeakPolarHBondContact O-CD1 3.45Å; I52-I56 WeakPolarHBondContact O-CG1 3.38Å; I52-I56 PolarHBondContact O-N 3.1Å; W53-I56 PolarHBondContact O-N 3.49Å; I56-S58 VanDerWaalsContact C-N 3.3Å; I56-S58 PolarHBondContact O-N 3.23Å; I56-I59 WeakPolarHBondContact O-CB 3.47Å; I56-I59 PolarHBondContact O-N 3.32Å; I56-F60 HydrophobicContact CG2-CD2 3.84Å; I56-F60 HydrophobicContact CG2-CE2 4.07Å; I56-F60 VanDerWaalsContact O-CD2 3.3Å; I56-F60 WeakPolarHBondContact O-CD2 3.26Å; I56-F60 PolarHBondContact O-N 3.06Å
57	A	75.2	Confident	68.4	Low	11 Å²	11	102 Å²	102	9%	0.091	53%	0.534	C	S	.	.	H	α-helix	trans	-61.5	-37.9	-179.8	0	0	0	0	0	112.3	W53 S54 I59 F60 G61 C62 I64	W53-A57 VanDerWaalsContact O-CB 3.24Å; W53-A57 WeakPolarHBondContact O-CB 3.46Å; W53-A57 PolarHBondContact O-N 3.29Å; S54-A57 PolarHBondContact O-N 2.99Å; A57-I59 VanDerWaalsContact C-N 3.26Å; A57-I59 PolarHBondContact O-N 3.32Å; A57-F60 CarbonylContact O-C 3.59Å; A57-F60 PolarHBondContact O-N 3.5Å; A57-G61 PolarHBondContact O-N 3.47Å; A57-C62 PolarHBondContact O-N 2.79Å; A57-C62 VanDerWaalsContact O-N 3.12Å; A57-I64 HydrophobicContact CB-CD1 3.89Å; A57-I64 HydrophobicContact CB-CG1 3.62Å
58	S	75.7	Confident	66.6	Low	101 Å²	101	99.6 Å²	99.6	71%	0.706	53%	0.534	S	S	*	.	H	α-helix	trans	-69.7	-16.7	173.9	-173	0	0	0	0	114.3	S54 I56	S54-S58 VanDerWaalsContact O-CB 3.26Å; S54-S58 WeakPolarHBondContact O-CB 3.3Å; S54-S58 PolarHBondContact O-N 3.12Å; I56-S58 VanDerWaalsContact C-N 3.3Å; I56-S58 PolarHBondContact O-N 3.23Å
59	I	78.1	Confident	64.5	Low	130 Å²	130	100.7 Å²	100.7	67%	0.667	55%	0.547	S	S	*	.	H	α-helix	trans	-86.6	-33.7	171.9	-72.8	164	0	0	0	110.9	T55 I56 A57	T55-I59 WeakPolarHBondContact O-CD1 3.24Å; T55-I59 VanDerWaalsContact O-CG1 3.23Å; T55-I59 WeakPolarHBondContact O-CG1 3.39Å; T55-I59 PolarHBondContact O-N 3.37Å; T55-I59 VanDerWaalsContact O-N 3.16Å; I56-I59 WeakPolarHBondContact O-CB 3.47Å; I56-I59 PolarHBondContact O-N 3.32Å; A57-I59 VanDerWaalsContact C-N 3.26Å; A57-I59 PolarHBondContact O-N 3.32Å
60	F	76	Confident	62.5	Low	156 Å²	156	102.4 Å²	102.4	68%	0.684	55%	0.55	S	S	*	*	H	α-helix	trans	-96.5	-1.2	-178.7	-70	-71.1	0	0	0	114.9	I56 A57	I56-F60 HydrophobicContact CG2-CD2 3.84Å; I56-F60 HydrophobicContact CG2-CE2 4.07Å; I56-F60 VanDerWaalsContact O-CD2 3.3Å; I56-F60 WeakPolarHBondContact O-CD2 3.26Å; I56-F60 PolarHBondContact O-N 3.06Å; A57-F60 CarbonylContact O-C 3.59Å; A57-F60 PolarHBondContact O-N 3.5Å
61	G	50.9	Low	60.3	Low	72 Å²	72	100.3 Å²	100.3	74%	0.742	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.4	22.1	175.3	0	0	0	0	0	115	A57	A57-G61 PolarHBondContact O-N 3.47Å
62	C	54.4	Low	57.9	Low	81 Å²	81	102 Å²	102	55%	0.547	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-96.1	127.6	-177.9	-53.8	0	0	0	0	111.8	A57	A57-C62 PolarHBondContact O-N 2.79Å; A57-C62 VanDerWaalsContact O-N 3.12Å
63	S	49.6	Very low	55.5	Low	88 Å²	88	102.5 Å²	102.5	62%	0.615	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-62.6	134.4	171.8	-61.7	0	0	0	0	111.9	E222	S63-E222 WeakPolarHBondContact CB-OE1 3.45Å; S63-E222 PolarHBondContact OG-OE1 3.27Å
64	I	48.6	Very low	53.3	Low	64 Å²	64	104.8 Å²	104.8	33%	0.328	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-99.3	123.2	-178.6	-49.1	164	0	0	0	109	A57 V66	A57-I64 HydrophobicContact CB-CD1 3.89Å; A57-I64 HydrophobicContact CB-CG1 3.62Å; I64-V66 PolarHBondContact O-N 3.35Å
65	P	44.1	Very low	51.1	Low	90 Å²	90	107.9 Å²	107.9	58%	0.584	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-65.5	128	172.1	26.8	-33.2	0	0	0	110.7	F67	P65-F67 HydrophobicContact CG-CD2 4.46Å; P65-F67 HydrophobicContact CG-CE2 4.17Å; P65-F67 PolarHBondContact O-N 3.38Å
66	V	43.2	Very low	48.5	Very low	139 Å²	139	110.8 Å²	110.8	84%	0.842	62%	0.619	S	S	*	*			trans	-74	92.8	-179.6	-178.5	0	0	0	0	110.3	I64 T68	I64-V66 PolarHBondContact O-N 3.35Å; V66-T68 PolarHBondContact O-N 2.9Å
67	F	34.9	Very low	46	Very low	127 Å²	127	113 Å²	113	56%	0.557	64%	0.636	S	S	*	*			trans	-69.4	126	171.4	-89.4	-92	0	0	0	111.4	P65 P75	P65-F67 HydrophobicContact CG-CD2 4.46Å; P65-F67 HydrophobicContact CG-CE2 4.17Å; P65-F67 PolarHBondContact O-N 3.38Å; F67-P75 HydrophobicContact CZ-CG 4.28Å
68	T	39.4	Very low	43.7	Very low	94 Å²	94	117.4 Å²	117.4	58%	0.577	67%	0.666	S	S	*	*			trans	-85.1	151.3	164.7	69.7	0	0	0	0	110.2	V66 Y70	V66-T68 PolarHBondContact O-N 2.9Å; T68-Y70 PolarHBondContact O-N 3.2Å
69	P	37.8	Very low	41.5	Very low	106 Å²	106	119.1 Å²	119.1	69%	0.688	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	24.9	-162.8	-18.8	34.9	0	0	0	117
70	Y	38.3	Very low	39.1	Very low	173 Å²	173	121.1 Å²	121.1	68%	0.678	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	-12.3	-170.7	-77.3	-76.7	0	0	0	116.2	T68	T68-Y70 PolarHBondContact O-N 3.2Å
71	D	35.8	Very low	36.9	Very low	109 Å²	109	119.1 Å²	119.1	58%	0.583	67%	0.672	S	S	*	*			trans	-88.2	115.1	172.3	-88.5	-52.5	0	0	0	111.5	T73	D71-T73 VanDerWaalsContact C-N 3.26Å; D71-T73 PolarHBondContact OD1-OG1 3.14Å
72	N	32.1	Very low	35.8	Very low	164 Å²	164	122 Å²	122	88%	0.877	67%	0.671	S	S	*	*			trans	-90.2	11.5	171.3	-73.8	-45.6	0	0	0	112.5
73	T	35.9	Very low	34.7	Very low	96 Å²	96	126 Å²	126	59%	0.589	68%	0.681	S	S	*	*			trans	-94	109.6	-177.9	35.3	0	0	0	0	110	D71	D71-T73 VanDerWaalsContact C-N 3.26Å; D71-T73 PolarHBondContact OD1-OG1 3.14Å
74	W	29.7	Very low	33.8	Very low	233 Å²	233	128.2 Å²	128.2	88%	0.883	69%	0.686	S	S	*	*			trans	-68.7	133.8	170.8	-74.4	60.9	0	0	0	109.3	T76	W74-T76 VanDerWaalsContact C-N 3.27Å; W74-T76 PolarHBondContact O-N 3.35Å
75	P	30.3	Very low	33	Very low	97 Å²	97	134 Å²	134	63%	0.63	71%	0.709	S	S	*	*			trans	-71.8	88.7	165.3	30.1	-32.1	0	0	0	108.2	F67 T77	F67-P75 HydrophobicContact CZ-CG 4.28Å; P75-T77 PolarHBondContact O-N 2.9Å; P75-T77 VanDerWaalsContact O-N 3.1Å
76	T	28.2	Very low	32.4	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	72%	0.72	S	S	*	*			trans	-60.4	114	171.4	-53	0	0	0	0	108.3	W74 S78	W74-T76 VanDerWaalsContact C-N 3.27Å; W74-T76 PolarHBondContact O-N 3.35Å; T76-S78 PolarHBondContact O-N 2.99Å
77	T	28.2	Very low	31.7	Very low	122 Å²	122	141.1 Å²	141.1	75%	0.748	72%	0.722	S	S	*	*			trans	-62	99.6	170	47.9	0	0	0	0	108.4	P75 I79	P75-T77 PolarHBondContact O-N 2.9Å; P75-T77 VanDerWaalsContact O-N 3.1Å; T77-I79 VanDerWaalsContact C-N 3.3Å; T77-I79 PolarHBondContact O-N 3.32Å
78	S	26.9	Very low	31.6	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	73%	0.725	S	S	*	*			trans	-76.2	79.2	-172.9	56.1	0	0	0	0	111.1	T76 L80	T76-S78 PolarHBondContact O-N 2.99Å; S78-L80 PolarHBondContact O-N 3.39Å; S78-L80 VanDerWaalsContact O-N 3.15Å
79	I	28.9	Very low	31.3	Very low	137 Å²	137	141.6 Å²	141.6	70%	0.703	73%	0.734	S	S	*	*			trans	-63.4	111.8	164.5	-53.2	177.1	0	0	0	106.9	T77 I81	T77-I79 VanDerWaalsContact C-N 3.3Å; T77-I79 PolarHBondContact O-N 3.32Å; I79-I81 VanDerWaalsContact C-N 3.3Å; I79-I81 HydrophobicContact CG2-CD1 4.31Å; I79-I81 HydrophobicContact CG2-CG1 3.79Å; I79-I81 PolarHBondContact O-N 2.9Å
80	L	27.4	Very low	31.1	Very low	173 Å²	173	144.4 Å²	144.4	91%	0.906	74%	0.743	S	S	*	*			trans	-73.7	82.6	176.3	-86.6	165.1	0	0	0	110.2	S78	S78-L80 PolarHBondContact O-N 3.39Å; S78-L80 VanDerWaalsContact O-N 3.15Å
81	I	29.7	Very low	30.7	Very low	114 Å²	114	140.1 Å²	140.1	59%	0.585	74%	0.738	S	S	*	*			trans	-90.2	107.9	165.3	-51.7	-175.9	0	0	0	108	I79 H83	I79-I81 VanDerWaalsContact C-N 3.3Å; I79-I81 HydrophobicContact CG2-CD1 4.31Å; I79-I81 HydrophobicContact CG2-CG1 3.79Å; I79-I81 PolarHBondContact O-N 2.9Å; I81-H83 VanDerWaalsContact CG2-CD2 3.45Å; I81-H83 WeakPolarHBondContact CG2-CD2 3.37Å; I81-H83 PolarHBondContact O-N 3.15Å
82	D	28.5	Very low	30.5	Very low	132 Å²	132	141.9 Å²	141.9	71%	0.706	75%	0.748	S	S	*	*			trans	-73.4	84.1	178.8	-175.6	15.1	0	0	0	111.6	N84	D82-N84 VanDerWaalsContact C-N 3.3Å; D82-N84 PolarHBondContact O-N 3.03Å; D82-N84 VanDerWaalsContact O-N 3.07Å; D82-N84 PolarHBondContact OD1-ND2 2.94Å
83	H	31.9	Very low	30.6	Very low	164 Å²	164	142.5 Å²	142.5	76%	0.759	75%	0.75	S	S	*	*			trans	-82.5	67.5	177.7	-94.1	-67.1	0	0	0	112.6	I81	I81-H83 VanDerWaalsContact CG2-CD2 3.45Å; I81-H83 WeakPolarHBondContact CG2-CD2 3.37Å; I81-H83 PolarHBondContact O-N 3.15Å
84	N	29.6	Very low	30.4	Very low	135 Å²	135	145.1 Å²	145.1	72%	0.722	76%	0.756	S	S	*	*			trans	-117.2	63.8	175.5	-87	-62.3	0	0	0	113.8	D82	D82-N84 VanDerWaalsContact C-N 3.3Å; D82-N84 PolarHBondContact O-N 3.03Å; D82-N84 VanDerWaalsContact O-N 3.07Å; D82-N84 PolarHBondContact OD1-ND2 2.94Å
85	K	31.9	Very low	30.6	Very low	187 Å²	187	141.4 Å²	141.4	81%	0.813	75%	0.748	S	S	*	*			trans	-163.8	149.7	159.8	-121.8	158.9	-169.8	162.5	0	115.2
86	F	31.7	Very low	30.8	Very low	188 Å²	188	142.8 Å²	142.8	83%	0.825	75%	0.75	S	S	*	*			trans	68.6	74.9	174.4	-70.8	-76.3	0	0	0	117.5
87	E	29.4	Very low	31.2	Very low	190 Å²	190	143.1 Å²	143.1	89%	0.888	75%	0.746	S	S	*	*			trans	-87.1	170.8	134.6	-166.1	174.2	-140.8	0	0	108.8
88	S	33	Very low	31.3	Very low	87 Å²	87	143.9 Å²	143.9	61%	0.608	75%	0.745	S	S	*	*			trans	72.7	130.9	-170.3	136.8	0	0	0	0	114
89	D	31.4	Very low	31.8	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	75%	0.752	S	S	*	*			cis	-145.4	146.3	-7.2	-74.7	-63	0	0	0	109.3
90	D	34.1	Very low	32.1	Very low	165 Å²	165	143.8 Å²	143.8	88%	0.882	75%	0.75	S	S	*	*				-160.1	160.3	128	-129.9	-31.8	0	0	0	112.1
91	S	30.8	Very low	32.3	Very low	83 Å²	83	145.8 Å²	145.8	58%	0.58	75%	0.747	S	S	*	*			trans	-133.7	154.3	-167.8	62.4	0	0	0	0	114.3
92	N	31.7	Very low	32.6	Very low	147 Å²	147	147 Å²	147	79%	0.786	75%	0.754	S	S	*	*			trans	71.1	138.8	179.2	-33.2	-79.9	0	0	0	112.5
93	L	33.5	Very low	32.7	Very low	177 Å²	177	145.8 Å²	145.8	93%	0.927	75%	0.752	S	S	*	*			cis	-133.1	-173.2	38.9	-128.3	89.1	0	0	0	114.6
94	H	30.9	Very low	32.8	Very low	151 Å²	151	146.4 Å²	146.4	70%	0.699	76%	0.755	S	S	*	*			trans	-111.5	168.6	-173.3	-159	-127.6	0	0	0	110.7
95	E	34.9	Very low	32.8	Very low	155 Å²	155	145.9 Å²	145.9	72%	0.724	76%	0.756	S	S	*	*			trans	67.8	149	162.6	-81.2	159.6	-122.1	0	0	118.4
96	N	34.4	Very low	32.7	Very low	126 Å²	126	144.1 Å²	144.1	67%	0.674	76%	0.755	S	S	*	*			cis	-165.1	163.3	-21.1	-138.7	-10.2	0	0	0	110.8
97	I	36.7	Very low	32.6	Very low	127 Å²	127	141.9 Å²	141.9	65%	0.651	75%	0.747	S	S	*	*			trans	61.3	115.1	151.8	-63.5	156.8	0	0	0	119.7
98	D	30.7	Very low	32.6	Very low	137 Å²	137	140.3 Å²	140.3	73%	0.733	74%	0.739	S	S	*	*			trans	4.2	140.1	136.5	-38.1	-54.8	0	0	0	120.2
99	D	35.8	Very low	32.6	Very low	159 Å²	159	141.6 Å²	141.6	85%	0.85	74%	0.743	S	S	*	*				-179.5	166.2	100	-127	-33.9	0	0	0	115.2
100	A	35.8	Very low	32.4	Very low	80 Å²	80	142.2 Å²	142.2	66%	0.661	75%	0.747	S	S	*	*			trans	35.2	122.5	160.4	0	0	0	0	0	122.4
101	Y	32.9	Very low	32.4	Very low	215 Å²	215	137.8 Å²	137.8	84%	0.843	74%	0.74	S	S	*	*				80.6	133.8	64.8	-106.9	-82.5	0	0	0	118.3
102	N	34.5	Very low	32.2	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	75%	0.753	S	S	*	*			trans	73.9	161.2	165.2	-60.4	-62.3	0	0	0	119.7
103	T	31.1	Very low	32.1	Very low	107 Å²	107	139.8 Å²	139.8	66%	0.656	76%	0.758	S	S	*	*			cis	-172.2	169.2	-40.6	-68.2	0	0	0	0	105.9
104	Q	33.9	Very low	31.8	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	75%	0.751	S	S	*	*			trans	88.2	127.2	168.8	-51.7	175.5	-8.4	0	0	115.3
105	V	28.7	Very low	31.9	Very low	123 Å²	123	137.3 Å²	137.3	75%	0.745	76%	0.761	S	S	*	*			cis	110.6	129.6	10.6	173.5	0	0	0	0	113.4
106	L	29.9	Very low	31.5	Very low	150 Å²	150	138.7 Å²	138.7	79%	0.785	77%	0.765	S	S	*	*			trans	69.9	148.4	171.9	-72.2	165.9	0	0	0	116.4
107	H	30.6	Very low	31.4	Very low	142 Å²	142	140.4 Å²	140.4	66%	0.657	77%	0.774	S	S	*	*			cis	-165.8	160.6	-15.8	-161	-136.7	0	0	0	111.2
108	E	28.5	Very low	31	Very low	156 Å²	156	137.7 Å²	137.7	73%	0.729	77%	0.77	S	S	*	*			trans	78.1	161.4	140.9	-124.3	168.6	167.2	0	0	125.4
109	V	34.2	Very low	30.9	Very low	114 Å²	114	139.2 Å²	139.2	69%	0.691	78%	0.777	S	S	*	*			trans	83.7	87	160.9	-155.5	0	0	0	0	121.9
110	N	26.9	Very low	30.5	Very low	157 Å²	157	136.2 Å²	136.2	84%	0.84	77%	0.768	S	S	*	*				39.6	131.6	123.2	-52.4	-25.3	0	0	0	123.5
111	G	33.1	Very low	30	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	77%	0.772	S	S	*	*			trans	166.3	85.6	159.4	0	0	0	0	0	113
112	V	28.4	Very low	29.7	Very low	141 Å²	141	135.7 Å²	135.7	86%	0.855	78%	0.775	S	S	*	*				59.5	101.4	88	-177.1	0	0	0	0	115
113	C	29.7	Very low	29.1	Very low	130 Å²	130	134.5 Å²	134.5	88%	0.878	78%	0.778	S	S	*	*				-171.3	151.8	127.8	-113.4	0	0	0	0	111.7
114	T	26	Very low	29	Very low	128 Å²	128	135.1 Å²	135.1	79%	0.785	79%	0.786	S	S	*	*			trans	-135.6	151.3	178.7	54.9	0	0	0	0	111.3
115	T	32.8	Very low	28.6	Very low	148 Å²	148	132.8 Å²	132.8	91%	0.908	78%	0.784	S	S	*	*			trans	-131.7	147.8	164.6	46.3	0	0	0	0	109.7
116	K	26.8	Very low	28.5	Very low	184 Å²	184	133 Å²	133	80%	0.8	79%	0.79	S	S	*	*			trans	-117.3	156.1	-172.7	-61.4	172.9	178.2	175.7	0	110.4
117	N	32.1	Very low	28.2	Very low	163 Å²	163	133 Å²	133	87%	0.872	79%	0.791	S	S	*	*				179.5	165.1	130	-87.7	-18.3	0	0	0	110.1
118	A	28.5	Very low	28.2	Very low	70 Å²	70	135.5 Å²	135.5	58%	0.579	80%	0.8	S	S	*	*				-177.3	152.2	-60.1	0	0	0	0	0	109.3
119	I	28.9	Very low	28	Very low	169 Å²	169	136.4 Å²	136.4	87%	0.867	80%	0.804	S	S	*	*			trans	72.1	143.9	166.1	-57	146.7	0	0	0	112.9
120	S	27.9	Very low	27.9	Very low	96 Å²	96	136.5 Å²	136.5	67%	0.671	81%	0.805	S	S	*	*			cis	-148.1	163	4.7	33.7	0	0	0	0	112.4
121	C	24.5	Very low	27.9	Very low	110 Å²	110	133.7 Å²	133.7	74%	0.743	79%	0.79	S	S	*	*			trans	18.4	140.8	138.6	-46.9	0	0	0	0	119.6
122	L	26.2	Very low	27.8	Very low	174 Å²	174	136.7 Å²	136.7	91%	0.911	79%	0.794	S	S	*	*				-150.1	166.6	54.6	-82.9	163.4	0	0	0	113.9
123	S	22.6	Very low	27.7	Very low	113 Å²	113	136.9 Å²	136.9	79%	0.79	78%	0.783	S	S	*	*			trans	-117.4	140.5	177.5	56.7	0	0	0	0	112.2
124	S	29.4	Very low	27.8	Very low	120 Å²	120	136.4 Å²	136.4	84%	0.839	78%	0.776	S	S	*	*			trans	-144.8	135.6	154.4	52	0	0	0	0	110.9
125	T	24.3	Very low	28	Very low	128 Å²	128	138.6 Å²	138.6	79%	0.785	78%	0.778	S	S	*	*			trans	-106.3	131.1	175.9	47	0	0	0	0	109.3
126	C	27.4	Very low	28	Very low	129 Å²	129	137.8 Å²	137.8	87%	0.872	77%	0.773	S	S	*	*			trans	-138.6	96.5	166.8	-76.2	0	0	0	0	109.5
127	D	23.5	Very low	28.1	Very low	149 Å²	149	138.2 Å²	138.2	80%	0.797	77%	0.774	S	S	*	*			trans	-70.5	147.4	161.5	-57.8	-74.5	0	0	0	109.6
128	F	29.8	Very low	27.9	Very low	195 Å²	195	139.8 Å²	139.8	86%	0.855	77%	0.774	S	S	*	*			trans	-142.3	95	165.2	-139.4	-89	0	0	0	111.1	V130	F128-V130 HydrophobicContact CD1-CG2 3.91Å; F128-V130 HydrophobicContact CE1-CG2 4.12Å
129	E	24.8	Very low	27.9	Very low	174 Å²	174	143.9 Å²	143.9	81%	0.813	79%	0.785	S	S	*	*			trans	-83.9	127.6	175	-176.8	177.1	-169.7	0	0	109.6
130	V	33.4	Very low	27.6	Very low	117 Å²	117	140.3 Å²	140.3	71%	0.709	78%	0.78	S	S	*	*			trans	-125.1	107.6	170.6	-178.8	0	0	0	0	109	F128	F128-V130 HydrophobicContact CD1-CG2 3.91Å; F128-V130 HydrophobicContact CE1-CG2 4.12Å
131	D	25.3	Very low	27.8	Very low	97 Å²	97	143.2 Å²	143.2	52%	0.519	79%	0.788	S	S	.	*			trans	-92.5	118.9	-173.2	-177.1	33.5	0	0	0	111.7	K133	D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 IonicContact OD1-NZ 2.66Å; D131-K133 PolarHBondContact OD1-NZ 3.39Å; D131-K133 IonicContact OD2-NZ 2.63Å; D131-K133 PolarHBondContact OD2-NZ 3.03Å
132	V	32.6	Very low	27.8	Very low	135 Å²	135	142 Å²	142	82%	0.818	78%	0.78	S	S	*	*			trans	-131.3	87.9	169.9	-174.2	0	0	0	0	110
133	K	25.4	Very low	27.8	Very low	146 Å²	146	143.9 Å²	143.9	64%	0.635	78%	0.781	S	S	*	*			trans	-86.2	134.9	168	-63.3	164.9	176.9	67.6	0	109.9	D131	D131-K133 WeakPolarHBondContact OD1-CG 3.41Å; D131-K133 IonicContact OD1-NZ 2.66Å; D131-K133 PolarHBondContact OD1-NZ 3.39Å; D131-K133 IonicContact OD2-NZ 2.63Å; D131-K133 PolarHBondContact OD2-NZ 3.03Å
134	T	31.8	Very low	27.9	Very low	120 Å²	120	145.3 Å²	145.3	74%	0.736	78%	0.776	S	S	*	*				178.2	130.7	124.7	36.3	0	0	0	0	112.8
135	E	30.6	Very low	28	Very low	174 Å²	174	147 Å²	147	81%	0.813	78%	0.776	S	S	*	*			trans	58.1	145.5	140.8	-57.1	-166	132.5	0	0	120.6
136	T	33.1	Very low	28.2	Very low	131 Å²	131	147.6 Å²	147.6	80%	0.804	77%	0.769	S	S	*	*			cis	-143.6	179	11.4	-14.8	0	0	0	0	112.5
137	K	27.7	Very low	28.3	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	76%	0.763	S	S	*	*			trans	-99.6	173.3	-175.1	-62.6	170.2	179.1	169.5	0	113.3
138	K	28.8	Very low	28.7	Very low	197 Å²	197	146.8 Å²	146.8	86%	0.857	76%	0.761	S	S	*	*			trans	77.6	145.2	168.7	-68	179.9	170.6	178.7	0	115
139	L	27.9	Very low	28.6	Very low	156 Å²	156	146.1 Å²	146.1	82%	0.817	76%	0.76	S	S	*	*			cis	-123.9	158.1	3.1	-76.4	171.9	0	0	0	111.8
140	A	23.7	Very low	28.9	Very low	93 Å²	93	145.8 Å²	145.8	77%	0.769	76%	0.764	S	S	*	*			trans	-121.3	138.2	159.4	0	0	0	0	0	109.1
141	L	30.1	Very low	28.6	Very low	158 Å²	158	148.8 Å²	148.8	83%	0.827	77%	0.771	S	S	*	*			trans	179.7	93.5	165.6	-95.7	161.2	0	0	0	104.9
142	S	24.6	Very low	28.9	Very low	84 Å²	84	151.7 Å²	151.7	59%	0.587	79%	0.785	S	S	*	*				62	117.5	98.5	72.4	0	0	0	0	115.4
143	F	28	Very low	28.5	Very low	213 Å²	213	153.9 Å²	153.9	93%	0.934	78%	0.783	S	S	*	*				-159.6	136.1	123.2	-97.2	-63.9	0	0	0	110.6
144	Q	24.5	Very low	28.9	Very low	143 Å²	143	154.7 Å²	154.7	67%	0.668	79%	0.794	S	S	*	*			trans	-104.6	144.4	177.8	-174.1	86.7	3.7	0	0	108.6
145	N	30.1	Very low	28.7	Very low	157 Å²	157	154.7 Å²	154.7	84%	0.84	79%	0.789	S	S	*	*			trans	170.1	113.8	150.9	-83.5	-23.4	0	0	0	107.2
146	H	29	Very low	28.6	Very low	140 Å²	140	150.8 Å²	150.8	65%	0.648	78%	0.781	S	S	*	*				68	112	57.4	-88.8	-49.1	0	0	0	117.2
147	I	29	Very low	28.3	Very low	143 Å²	143	149.5 Å²	149.5	73%	0.733	78%	0.777	S	S	*	*			trans	73	140.7	131	-78.2	170.1	0	0	0	119
148	P	33.4	Very low	28.5	Very low	117 Å²	117	149.3 Å²	149.3	76%	0.76	78%	0.777	S	S	*	*			cis	-140.5	-153.7	-23.1	42.3	-21.7	0	0	0	113.5
149	E	27.7	Very low	28.8	Very low	181 Å²	181	148.4 Å²	148.4	85%	0.846	77%	0.773	S	S	*	*			trans	-69.1	158.4	172.9	-55	163.2	139.2	0	0	114.3
150	N	30.7	Very low	28.8	Very low	167 Å²	167	148.3 Å²	148.3	89%	0.893	77%	0.773	S	S	*	*			trans	-166.7	155	145.5	-113.6	-29.6	0	0	0	112.7
151	E	25.7	Very low	29.4	Very low	181 Å²	181	150.9 Å²	150.9	85%	0.846	78%	0.779	S	S	*	*			trans	-78.8	144.5	-179.6	-53.8	174.2	107.5	0	0	113.2
152	I	33.2	Very low	29.4	Very low	158 Å²	158	148.7 Å²	148.7	81%	0.81	77%	0.772	S	S	*	*			trans	-137.8	123.1	146.7	-60.2	-175.9	0	0	0	109.5	L154	I152-L154 HydrophobicContact CG2-CD1 4.31Å; I152-L154 HydrophobicContact CG2-CG 4.3Å
153	K	24.2	Very low	30	Very low	180 Å²	180	151 Å²	151	78%	0.783	78%	0.778	S	S	*	*			trans	-108.6	129.3	167.6	179.7	-170.9	177.9	-172.5	0	108
154	L	32.9	Very low	30.2	Very low	164 Å²	164	146.3 Å²	146.3	86%	0.859	76%	0.763	S	S	*	*			trans	-136	148.5	173	-93.6	171.8	0	0	0	111.5	I152	I152-L154 HydrophobicContact CG2-CD1 4.31Å; I152-L154 HydrophobicContact CG2-CG 4.3Å
155	D	28.3	Very low	30.8	Very low	120 Å²	120	146.1 Å²	146.1	64%	0.642	77%	0.766	S	S	*	*			trans	-126.9	153.8	-157.3	-125.4	-47.8	0	0	0	112.5
156	S	28.9	Very low	31.2	Very low	92 Å²	92	144.4 Å²	144.4	64%	0.643	76%	0.757	S	S	*	*			trans	60	120.9	153	68.6	0	0	0	0	122.6
157	S	26.4	Very low	31.6	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	76%	0.759	S	S	*	*			trans	71.7	128.9	131.7	74.2	0	0	0	0	122.6
158	F	31.6	Very low	32	Very low	187 Å²	187	143 Å²	143	82%	0.82	76%	0.756	S	S	*	*				-173	101.5	129.9	-118.3	-95.3	0	0	0	106.3
159	K	35.4	Very low	32.2	Very low	178 Å²	178	143.2 Å²	143.2	77%	0.774	75%	0.751	S	S	*	*				81.2	126.8	86.3	-91.9	-173.5	173.6	-179.8	0	115.3
160	D	28.5	Very low	32.7	Very low	155 Å²	155	140.9 Å²	140.9	83%	0.829	74%	0.744	S	S	*	*			trans	-74.4	153.9	-177.9	-43.1	-97.1	0	0	0	114.3
161	V	35.2	Very low	33	Very low	147 Å²	147	139.7 Å²	139.7	89%	0.891	74%	0.737	S	S	*	*			trans	-142.1	124.8	153.1	179.1	0	0	0	0	108.5
162	T	29.7	Very low	33.5	Very low	112 Å²	112	137.7 Å²	137.7	69%	0.687	73%	0.733	S	S	*	*			trans	-90.9	153.7	167.6	54	0	0	0	0	110.6
163	D	36.9	Very low	33.5	Very low	132 Å²	132	136.2 Å²	136.2	71%	0.706	73%	0.726	S	S	*	*				173.5	138.7	116.4	-96.2	20.6	0	0	0	115.5
164	N	33.8	Very low	33.8	Very low	115 Å²	115	134 Å²	134	62%	0.615	72%	0.723	S	S	*	*			trans	29.1	119	142.1	-59.4	-58.5	0	0	0	121
165	N	36.8	Very low	33.6	Very low	138 Å²	138	133.7 Å²	133.7	74%	0.738	72%	0.723	S	S	*	*				-172.9	118.5	91.7	-101.9	-69.6	0	0	0	115.9
166	N	37.8	Very low	33.7	Very low	122 Å²	122	134 Å²	134	65%	0.652	73%	0.734	S	S	*	*				41.7	127.6	125	-70.6	-42.3	0	0	0	123.5
167	N	38.3	Very low	33.6	Very low	129 Å²	129	139.8 Å²	139.8	69%	0.69	74%	0.743	S	S	*	*				96.5	111	128.9	-71.4	-3.5	0	0	0	122.6
168	N	37.6	Very low	33.6	Very low	124 Å²	124	141.3 Å²	141.3	66%	0.663	74%	0.743	S	S	*	*				103.1	110.8	122.4	-69.8	-0.5	0	0	0	121.4
169	N	37.5	Very low	33.4	Very low	121 Å²	121	139 Å²	139	65%	0.647	74%	0.739	S	S	*	*				87.9	95.6	126.7	-62.8	-5.3	0	0	0	121.4
170	N	37.3	Very low	32.9	Very low	133 Å²	133	137.5 Å²	137.5	71%	0.711	74%	0.738	S	S	*	*				86.9	145	113.2	-65.5	-5.7	0	0	0	122
171	N	36.2	Very low	32.7	Very low	141 Å²	141	135.1 Å²	135.1	75%	0.754	73%	0.734	S	S	*	*			trans	80.9	73.3	153.3	-63	-4.3	0	0	0	119.6
172	N	37.4	Very low	32.3	Very low	139 Å²	139	133.2 Å²	133.2	74%	0.743	73%	0.727	S	S	*	*				37.1	116.3	116.2	-66.9	10.3	0	0	0	120.3
173	N	32.8	Very low	32.1	Very low	127 Å²	127	135.7 Å²	135.7	68%	0.679	74%	0.735	S	S	*	*				85.7	118.5	122.2	-64.8	9.9	0	0	0	121.4
174	N	30.3	Very low	31.7	Very low	134 Å²	134	135.6 Å²	135.6	72%	0.717	74%	0.74	S	S	*	*			trans	73.5	86	131.7	-57	4.5	0	0	0	118.5
175	N	28.1	Very low	31.4	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	75%	0.751	S	S	*	*				-172.7	127.4	113.5	-94.8	-26	0	0	0	111.3
176	S	31	Very low	30.9	Very low	126 Å²	126	134.2 Å²	134.2	88%	0.881	75%	0.748	S	S	*	*			trans	-169.4	144.3	153.9	-86.4	0	0	0	0	112.3
177	Y	27.9	Very low	30.4	Very low	214 Å²	214	138.9 Å²	138.9	84%	0.839	76%	0.758	S	S	*	*			trans	-83.8	150.5	171.4	-82.7	-106.2	0	0	0	111.2
178	N	26.3	Very low	29.8	Very low	135 Å²	135	142.4 Å²	142.4	72%	0.722	77%	0.767	S	S	*	*			trans	62.7	154.7	146.6	-61.9	-8.5	0	0	0	120.8
179	N	26.2	Very low	29.4	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	77%	0.769	S	S	*	*			trans	81.2	105.9	154.3	-67.6	-7.7	0	0	0	121.1
180	I	25.2	Very low	28.8	Very low	146 Å²	146	142.1 Å²	142.1	75%	0.749	77%	0.773	S	S	*	*				93.7	125.4	123.8	-66.7	169	0	0	0	119.6
181	S	24	Very low	28.3	Very low	106 Å²	106	143.2 Å²	143.2	74%	0.741	78%	0.777	S	S	*	*			trans	89.6	156.1	149.8	74.9	0	0	0	0	122.1
182	S	27.7	Very low	27.9	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	78%	0.781	S	S	*	*			trans	67.8	107.6	-173.6	62.3	0	0	0	0	115.6
183	L	24.9	Very low	27.5	Very low	163 Å²	163	145.4 Å²	145.4	85%	0.853	78%	0.783	S	S	*	*				67	109	51.7	-65.8	161.3	0	0	0	114.4
184	T	29.2	Very low	27.2	Very low	131 Å²	131	145.6 Å²	145.6	80%	0.804	79%	0.789	S	S	*	*				-167	137.8	117	25.4	0	0	0	0	112.6
185	N	27.4	Very low	27.2	Very low	158 Å²	158	147.9 Å²	147.9	85%	0.845	80%	0.8	S	S	*	*			trans	-4.2	153	149.8	-40.5	-14.1	0	0	0	118
186	G	25.7	Very low	27.1	Very low	65 Å²	65	147.8 Å²	147.8	67%	0.67	80%	0.8	S	S	*	*			cis	-177.2	171.9	5.5	0	0	0	0	0	106.8
187	Y	27.9	Very low	27	Very low	221 Å²	221	148 Å²	148	87%	0.867	80%	0.8	S	S	*	*			cis	-150.4	155.3	38	-76.2	-102.4	0	0	0	110.5
188	F	24.9	Very low	27.1	Very low	203 Å²	203	147.1 Å²	147.1	89%	0.89	80%	0.8	S	S	*	*			trans	-149.9	129.8	155	-135.5	-91.2	0	0	0	108
189	C	28.8	Very low	27.1	Very low	105 Å²	105	146.6 Å²	146.6	71%	0.709	80%	0.804	S	S	*	*			trans	-108.4	111.4	170.5	-64	0	0	0	0	106.2
190	D	25	Very low	27.3	Very low	134 Å²	134	148.3 Å²	148.3	72%	0.717	81%	0.812	S	S	*	*				70.7	107.5	89	-94.1	-30.3	0	0	0	113.1
191	I	27.6	Very low	27.4	Very low	156 Å²	156	147 Å²	147	80%	0.8	81%	0.811	S	S	*	*			trans	-169.3	92.7	130.2	-90.9	148.5	0	0	0	107.3
192	N	28.6	Very low	27.6	Very low	155 Å²	155	148.7 Å²	148.7	83%	0.829	81%	0.812	S	S	*	*				168.9	140.9	125.9	-88	-36.9	0	0	0	110.7
193	Q	28.4	Very low	27.6	Very low	171 Å²	171	150.2 Å²	150.2	80%	0.799	82%	0.817	S	S	*	*			trans	-108.3	154.9	-164.3	-73.5	-174.8	-11.8	0	0	114.2
194	T	26	Very low	27.9	Very low	130 Å²	130	151 Å²	151	80%	0.798	82%	0.817	S	S	*	*			trans	58.5	103.3	153.3	50	0	0	0	0	118.9
195	L	30.9	Very low	27.9	Very low	183 Å²	183	151.7 Å²	151.7	96%	0.958	82%	0.82	S	S	*	*				-141.7	146.5	118.3	-109.3	171	0	0	0	110.4
196	N	26.6	Very low	28	Very low	155 Å²	155	150.8 Å²	150.8	83%	0.829	81%	0.814	S	S	*	*			trans	-86.5	126.3	-170.7	-115	-44.3	0	0	0	111.6
197	C	28.6	Very low	28.2	Very low	131 Å²	131	151.9 Å²	151.9	89%	0.885	81%	0.809	S	S	*	*			trans	-160.9	167.1	143.2	-121.6	0	0	0	0	112.6
198	K	29.4	Very low	28.3	Very low	196 Å²	196	149.3 Å²	149.3	85%	0.852	81%	0.808	S	S	*	*			trans	-88.8	153.9	-165.7	-70.2	175.1	-179.7	174.4	0	113.4
199	P	26.2	Very low	28.5	Very low	123 Å²	123	143.6 Å²	143.6	80%	0.799	79%	0.794	S	S	*	*			trans	-72.1	149.6	176.5	31.3	-36.2	0	0	0	112.3
200	L	30.1	Very low	28.6	Very low	175 Å²	175	145 Å²	145	92%	0.916	80%	0.799	S	S	*	*			trans	-123.2	155.3	163.7	-132.7	74.5	0	0	0	108.9
201	T	28.2	Very low	28.8	Very low	118 Å²	118	142.6 Å²	142.6	72%	0.724	80%	0.798	S	S	*	*			trans	-107.6	150.9	-169	48.3	0	0	0	0	113.3
202	D	26.9	Very low	28.8	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	80%	0.802	S	S	*	*	S	Bend	trans	69.9	126.9	157.5	-53.4	-30.6	0	0	0	120.3
203	T	28.6	Very low	28.9	Very low	138 Å²	138	145.4 Å²	145.4	85%	0.847	81%	0.805	S	S	*	*			trans	55	84.5	154.2	50.2	0	0	0	0	119
204	E	30.5	Very low	28.8	Very low	181 Å²	181	143.8 Å²	143.8	85%	0.846	81%	0.807	S	S	*	*			trans	-149.4	144.2	135	-130.5	166.8	-151.6	0	0	111
205	V	29.5	Very low	28.9	Very low	145 Å²	145	144.8 Å²	144.8	88%	0.879	81%	0.807	S	S	*	*			trans	-93.9	101.1	-177.8	178	0	0	0	0	108.8
206	I	30.5	Very low	28.7	Very low	139 Å²	139	142.8 Å²	142.8	71%	0.713	81%	0.805	S	S	*	*			trans	-95.7	116.2	-179.9	-56.8	177.3	0	0	0	109.2
207	P	29.3	Very low	28.9	Very low	87 Å²	87	138 Å²	138	57%	0.565	79%	0.793	S	S	*	*			trans	-69.2	144.7	173.3	29.1	-33.8	0	0	0	110.9	S209	P207-S209 VanDerWaalsContact C-N 3.34Å; P207-S209 PolarHBondContact O-N 3.4Å
208	I	29.7	Very low	28.9	Very low	167 Å²	167	142.2 Å²	142.2	86%	0.856	79%	0.791	S	S	*	*	S	Bend	trans	-78.6	81.9	-174.5	-54.8	176.7	0	0	0	109.5
209	S	29.7	Very low	28.7	Very low	84 Å²	84	141.1 Å²	141.1	59%	0.587	79%	0.794	S	S	*	*			trans	-147.4	16.7	-179.4	-70.5	0	0	0	0	115.2	P207	P207-S209 VanDerWaalsContact C-N 3.34Å; P207-S209 PolarHBondContact O-N 3.4Å
210	T	30.4	Very low	28.8	Very low	133 Å²	133	140.5 Å²	140.5	82%	0.816	79%	0.791	S	S	*	*	S	Bend	trans	-140.7	26.9	-177.7	-25	0	0	0	0	114.7
211	A	30	Very low	28.7	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	79%	0.787	S	S	*	*			trans	-99.2	-6	-175.9	0	0	0	0	0	115.5	F213	A211-F213 PolarHBondContact O-N 3.48Å
212	L	27.9	Very low	28.8	Very low	168 Å²	168	140.1 Å²	140.1	88%	0.88	79%	0.786	S	S	*	*			trans	-103.3	58.9	-173.5	-67	177.3	0	0	0	113
213	F	28.6	Very low	28.9	Very low	201 Å²	201	139.5 Å²	139.5	88%	0.882	79%	0.793	S	S	*	*			trans	-147	42.3	177.1	-103.1	-67.5	0	0	0	115.6	A211	A211-F213 PolarHBondContact O-N 3.48Å
214	T	28.3	Very low	29	Very low	138 Å²	138	137.4 Å²	137.4	85%	0.847	78%	0.784	S	S	*	*	S	Bend	trans	-156.4	70	163	47.4	0	0	0	0	113.5
215	D	26.9	Very low	29.2	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	78%	0.776	S	S	*	*			trans	-168.6	113	137.1	-135.3	-17.8	0	0	0	113	G217	D215-G217 PolarHBondContact O-N 2.84Å; D215-G217 VanDerWaalsContact O-N 3.08Å
216	P	27.9	Very low	29.3	Very low	140 Å²	140	132.4 Å²	132.4	91%	0.909	77%	0.767	S	S	*	*			trans	-86.2	55.9	177.2	36.1	-34.7	0	0	0	111.9
217	G	29.4	Very low	29.5	Very low	55 Å²	55	130.4 Å²	130.4	57%	0.567	76%	0.762	S	S	*	*			trans	-108.9	-23.7	-172.3	0	0	0	0	0	117	D215	D215-G217 PolarHBondContact O-N 2.84Å; D215-G217 VanDerWaalsContact O-N 3.08Å
218	Y	29.4	Very low	29.9	Very low	220 Å²	220	133.7 Å²	133.7	86%	0.863	77%	0.768	S	S	*	*			trans	-121.7	74.3	-171.3	-84.5	-90.6	0	0	0	112.9	C220	Y218-C220 PolarHBondContact O-N 2.91Å
219	L	25.4	Very low	31.4	Very low	172 Å²	172	129.6 Å²	129.6	90%	0.901	75%	0.751	S	S	*	*			trans	-90	80.2	163.7	-86.7	165.4	0	0	0	110.1	T221	L219-T221 PolarHBondContact O-N 3.16Å
220	C	28.1	Very low	33.4	Very low	111 Å²	111	129.1 Å²	129.1	75%	0.75	74%	0.741	S	S	*	*			trans	-81.5	112	165.7	-75.6	0	0	0	0	109.6	Y218 E222	Y218-C220 PolarHBondContact O-N 2.91Å; C220-E222 PolarHBondContact O-N 3.45Å
221	T	27.8	Very low	35.6	Very low	133 Å²	133	126.6 Å²	126.6	82%	0.816	72%	0.722	S	S	*	*			trans	-80.7	101.7	177.2	50.3	0	0	0	0	111.4	L219	L219-T221 PolarHBondContact O-N 3.16Å
222	E	30.9	Very low	37.6	Very low	152 Å²	152	126.8 Å²	126.8	71%	0.71	71%	0.711	S	S	*	*			trans	-152.4	141.5	141.2	-79.3	-140.7	139.5	0	0	109.3	S63 C220	S63-E222 WeakPolarHBondContact CB-OE1 3.45Å; S63-E222 PolarHBondContact OG-OE1 3.27Å; C220-E222 PolarHBondContact O-N 3.45Å
223	S	28	Very low	39.9	Very low	129 Å²	129	120.9 Å²	120.9	90%	0.902	68%	0.684	S	S	*	*			trans	-93.5	108.4	-169.8	54.1	0	0	0	0	112.7
224	S	30.1	Very low	42.6	Very low	94 Å²	94	113.1 Å²	113.1	66%	0.657	65%	0.649	S	S	*	*			trans	-128.7	137.8	163.7	-176.2	0	0	0	0	109.2	V226	S224-V226 PolarHBondContact O-N 3.07Å
225	P	35	Very low	45	Very low	106 Å²	106	109.5 Å²	109.5	69%	0.688	62%	0.623	S	S	*	*			trans	-76.3	81.5	-172.8	31.1	-35.8	0	0	0	112.3	T227	P225-T227 PolarHBondContact O-N 3.37Å
226	V	32.6	Very low	47.5	Very low	115 Å²	115	105 Å²	105	70%	0.697	60%	0.603	S	S	*	*			trans	-77.8	60.8	169.1	-168.6	0	0	0	0	110.1	S224 T229	S224-V226 PolarHBondContact O-N 3.07Å; V226-T229 HydrophobicContact CG1-CG2 4.38Å
227	T	33.4	Very low	50.1	Low	98 Å²	98	100.4 Å²	100.4	60%	0.601	57%	0.571	S	S	*	*			trans	-98.5	-4.5	173.7	23.1	0	0	0	0	113.2	P225	P225-T227 PolarHBondContact O-N 3.37Å
228	F	39.4	Very low	52.7	Low	156 Å²	156	99.1 Å²	99.1	68%	0.684	55%	0.553	S	S	*	*	S	Bend	trans	-100.7	80.9	176.4	-71.3	-87.8	0	0	0	111.5
229	T	60.3	Low	55.2	Low	81 Å²	81	93.9 Å²	93.9	50%	0.497	54%	0.544	S	S	.	.	S	Bend	trans	-151.4	-51.5	168.2	50.3	0	0	0	0	112	V226 D232 S233	V226-T229 HydrophobicContact CG1-CG2 4.38Å; T229-D232 PolarHBondContact O-N 2.99Å; T229-S233 WeakPolarHBondContact O-CB 3.32Å; T229-S233 PolarHBondContact O-N 3.35Å; T229-S233 PolarHBondContact O-OG 2.88Å
230	L	71.9	Confident	58	Low	73 Å²	73	90.4 Å²	90.4	38%	0.382	53%	0.526	S	S	.	.	H	α-helix	trans	-72.7	-35.9	-169.1	-103.9	163.5	0	0	0	114.3	S233 Y234 L255	L230-S233 WeakPolarHBondContact CA-OG 3.36Å; L230-S233 PolarHBondContact O-OG 3.14Å; L230-Y234 HydrophobicContact CD2-CE1 4.03Å; L230-Y234 HydrophobicContact CD2-CE2 3.88Å; L230-Y234 WeakPolarHBondContact CD2-OH 3.5Å; L230-Y234 WeakPolarHBondContact O-CD2 3.43Å; L230-Y234 VanDerWaalsContact O-CG 3.23Å; L230-Y234 PolarHBondContact O-N 3.12Å; L230-Y234 VanDerWaalsContact O-N 3.13Å; L230-L255 HydrophobicContact CB-CD2 3.9Å; L230-L255 HydrophobicContact CD1-CD1 4.24Å
231	L	77.3	Confident	60.5	Low	81 Å²	81	88.2 Å²	88.2	42%	0.424	52%	0.522	S	S	.	.	H	α-helix	trans	-69.2	-41.3	176.3	-146.2	77.3	0	0	0	110.6	Y234 Q235 V252 L255	L231-Y234 PolarHBondContact O-N 3.28Å; L231-Q235 WeakPolarHBondContact O-CB 3.45Å; L231-Q235 PolarHBondContact O-N 2.85Å; L231-V252 HydrophobicContact CD1-CB 4.38Å; L231-V252 HydrophobicContact CD1-CG1 4.11Å; L231-V252 HydrophobicContact CD1-CG2 3.89Å; L231-L255 HydrophobicContact CD1-CD2 3.92Å
232	D	71.7	Confident	63.1	Low	88 Å²	88	89.6 Å²	89.6	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-69.8	-35.6	178.8	-53.6	-60.9	0	0	0	112	T229 Q235 S236	T229-D232 PolarHBondContact O-N 2.99Å; D232-Q235 PolarHBondContact O-N 2.94Å; D232-S236 VanDerWaalsContact O-CB 3.22Å; D232-S236 WeakPolarHBondContact O-CB 3.16Å; D232-S236 PolarHBondContact O-N 3.03Å
233	S	76.3	Confident	65.8	Low	44 Å²	44	83.5 Å²	83.5	31%	0.308	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-47.8	172.2	67	0	0	0	0	111.2	T229 L230 Q235 S236 D237	T229-S233 WeakPolarHBondContact O-CB 3.32Å; T229-S233 PolarHBondContact O-N 3.35Å; T229-S233 PolarHBondContact O-OG 2.88Å; L230-S233 WeakPolarHBondContact CA-OG 3.36Å; L230-S233 PolarHBondContact O-OG 3.14Å; S233-Q235 VanDerWaalsContact C-N 3.27Å; S233-Q235 PolarHBondContact O-N 3.09Å; S233-S236 PolarHBondContact O-N 3.02Å; S233-D237 WeakPolarHBondContact O-CB 3.37Å; S233-D237 PolarHBondContact O-N 2.8Å
234	Y	83.7	Confident	68.5	Low	38 Å²	38	82 Å²	82	15%	0.149	47%	0.471	C	S	.	.	H	α-helix	trans	-61.2	-35	176.4	-64	-34.5	0	0	0	113	L230 L231 S238 I243 R248 Y251 L255	L230-Y234 HydrophobicContact CD2-CE1 4.03Å; L230-Y234 HydrophobicContact CD2-CE2 3.88Å; L230-Y234 WeakPolarHBondContact CD2-OH 3.5Å; L230-Y234 WeakPolarHBondContact O-CD2 3.43Å; L230-Y234 VanDerWaalsContact O-CG 3.23Å; L230-Y234 PolarHBondContact O-N 3.12Å; L230-Y234 VanDerWaalsContact O-N 3.13Å; L231-Y234 PolarHBondContact O-N 3.28Å; Y234-S238 WeakPolarHBondContact O-CB 3.07Å; Y234-S238 PolarHBondContact O-N 3.32Å; Y234-I243 HydrophobicContact CD1-CD1 4.44Å; Y234-R248 WeakPolarHBondContact O-CG 3.44Å; Y234-Y251 AromaticContact CD1-CD2 3.85Å; Y234-Y251 HydrophobicContact CD1-CD2 3.85Å; Y234-Y251 HydrophobicContact CD1-CG 4.44Å; Y234-Y251 AromaticContact CE1-CD2 3.71Å; Y234-Y251 HydrophobicContact CE1-CD2 3.71Å; Y234-Y251 HydrophobicContact CE1-CE2 4.48Å; Y234-Y251 HydrophobicContact CE1-CG 4.1Å; Y234-Y251 HydrophobicContact CG-CD2 4.49Å; Y234-L255 HydrophobicContact CE2-CD2 4.34Å
235	Q	79.6	Confident	71.1	Confident	62 Å²	62	84.6 Å²	84.6	29%	0.29	47%	0.471	S	S	.	.	H	α-helix	trans	-69	-47.3	173.8	-176.7	63.1	9.3	0	0	111.5	L231 D232 S233 S238 V239 R248	L231-Q235 WeakPolarHBondContact O-CB 3.45Å; L231-Q235 PolarHBondContact O-N 2.85Å; D232-Q235 PolarHBondContact O-N 2.94Å; S233-Q235 VanDerWaalsContact C-N 3.27Å; S233-Q235 PolarHBondContact O-N 3.09Å; Q235-S238 PolarHBondContact O-N 3.46Å; Q235-V239 WeakPolarHBondContact O-CG2 3.26Å; Q235-V239 PolarHBondContact O-N 3.45Å; Q235-R248 VanDerWaalsContact OE1-CD 3.3Å
236	S	78.6	Confident	73.5	Confident	58 Å²	58	84.2 Å²	84.2	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-59.5	-46.7	176.6	-176	0	0	0	0	111.8	D232 S233 S238 V239 N240	D232-S236 VanDerWaalsContact O-CB 3.22Å; D232-S236 WeakPolarHBondContact O-CB 3.16Å; D232-S236 PolarHBondContact O-N 3.03Å; S233-S236 PolarHBondContact O-N 3.02Å; S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 2.87Å; S236-V239 PolarHBondContact O-N 2.85Å; S236-N240 WeakPolarHBondContact O-CB 3.02Å; S236-N240 VanDerWaalsContact O-CG 3.3Å; S236-N240 PolarHBondContact O-N 2.8Å; S236-N240 PolarHBondContact O-ND2 3.23Å; S236-N240 PolarHBondContact OG-ND2 2.97Å; S236-N240 VanDerWaalsContact OG-ND2 3.15Å
237	D	82.8	Confident	76	Confident	42 Å²	42	80.7 Å²	80.7	23%	0.225	45%	0.445	C	S	.	.	H	α-helix	trans	-64	-32.7	179.8	-70.6	-25.8	0	0	0	112.1	S233 G241 F242 I243	S233-D237 WeakPolarHBondContact O-CB 3.37Å; S233-D237 PolarHBondContact O-N 2.8Å; D237-G241 PolarHBondContact O-N 3.2Å; D237-F242 HydrophobicContact CB-CB 4.27Å; D237-F242 PolarHBondContact O-N 2.86Å; D237-I243 HydrophobicContact CB-CB 4.41Å; D237-I243 HydrophobicContact CB-CD1 3.49Å; D237-I243 VanDerWaalsContact CB-CD1 3.49Å; D237-I243 HydrophobicContact CB-CG1 3.85Å; D237-I243 PolarHBondContact O-N 2.96Å
238	S	84.8	Confident	78.7	Confident	28 Å²	28	77.5 Å²	77.5	20%	0.196	42%	0.422	C	S	.	.	H	α-helix	trans	-76.6	-38.2	174.9	-157.4	0	0	0	0	112.7	Y234 Q235 S236 N240 G241 I243	Y234-S238 WeakPolarHBondContact O-CB 3.07Å; Y234-S238 PolarHBondContact O-N 3.32Å; Q235-S238 PolarHBondContact O-N 3.46Å; S236-S238 VanDerWaalsContact C-N 3.27Å; S236-S238 PolarHBondContact O-N 2.87Å; S238-N240 VanDerWaalsContact C-N 3.33Å; S238-G241 PolarHBondContact O-N 3.07Å; S238-I243 VanDerWaalsContact CA-O 3.29Å; S238-I243 WeakPolarHBondContact CA-O 3.2Å; S238-I243 WeakPolarHBondContact CB-O 3.43Å; S238-I243 PolarHBondContact OG-O 2.91Å
239	V	82.4	Confident	80.9	Confident	110 Å²	110	73.4 Å²	73.4	67%	0.667	41%	0.407	S	S	*	.	H	α-helix	trans	-65.3	-36.3	172.9	170.1	0	0	0	0	111.7	Q235 S236 G241	Q235-V239 WeakPolarHBondContact O-CG2 3.26Å; Q235-V239 PolarHBondContact O-N 3.45Å; S236-V239 PolarHBondContact O-N 2.85Å; V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.01Å
240	N	82.2	Confident	82.1	Confident	99 Å²	99	73.6 Å²	73.6	53%	0.529	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-2.2	176.2	-68.1	-52	0	0	0	113.8	S236 S238 F242	S236-N240 WeakPolarHBondContact O-CB 3.02Å; S236-N240 VanDerWaalsContact O-CG 3.3Å; S236-N240 PolarHBondContact O-N 2.8Å; S236-N240 PolarHBondContact O-ND2 3.23Å; S236-N240 PolarHBondContact OG-ND2 2.97Å; S236-N240 VanDerWaalsContact OG-ND2 3.15Å; S238-N240 VanDerWaalsContact C-N 3.33Å; N240-F242 HydrophobicContact CB-CD2 3.68Å; N240-F242 HydrophobicContact CB-CE2 3.65Å; N240-F242 PolarHBondContact O-N 3.28Å
241	G	81	Confident	82.8	Confident	65 Å²	65	74.5 Å²	74.5	67%	0.67	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	13.6	176.7	0	0	0	0	0	115.8	D237 S238 V239	D237-G241 PolarHBondContact O-N 3.2Å; S238-G241 PolarHBondContact O-N 3.07Å; V239-G241 VanDerWaalsContact C-N 3.28Å; V239-G241 PolarHBondContact O-N 3.01Å
242	F	83.5	Confident	83.1	Confident	163 Å²	163	72 Å²	72	72%	0.715	39%	0.392	S	S	*	.	S	Bend	trans	-76.9	-26.2	173	-61.9	-61.9	0	0	0	112.9	D237 N240	D237-F242 HydrophobicContact CB-CB 4.27Å; D237-F242 PolarHBondContact O-N 2.86Å; N240-F242 HydrophobicContact CB-CD2 3.68Å; N240-F242 HydrophobicContact CB-CE2 3.65Å; N240-F242 PolarHBondContact O-N 3.28Å
243	I	87.3	Confident	83.5	Confident	23 Å²	23	72.8 Å²	72.8	12%	0.118	39%	0.393	C	S	.	.	S	Bend	trans	-133.4	128.3	-177.5	-57.5	174.9	0	0	0	109.7	Y234 D237 S238 T247 R248 Y251	Y234-I243 HydrophobicContact CD1-CD1 4.44Å; D237-I243 HydrophobicContact CB-CB 4.41Å; D237-I243 HydrophobicContact CB-CD1 3.49Å; D237-I243 VanDerWaalsContact CB-CD1 3.49Å; D237-I243 HydrophobicContact CB-CG1 3.85Å; D237-I243 PolarHBondContact O-N 2.96Å; S238-I243 VanDerWaalsContact CA-O 3.29Å; S238-I243 WeakPolarHBondContact CA-O 3.2Å; S238-I243 WeakPolarHBondContact CB-O 3.43Å; S238-I243 PolarHBondContact OG-O 2.91Å; I243-T247 HydrophobicContact CG2-CG2 3.67Å; I243-R248 HydrophobicContact CG2-CB 4.31Å; I243-Y251 HydrophobicContact CD1-CD2 4.21Å; I243-Y251 HydrophobicContact CD1-CE2 4Å; I243-Y251 HydrophobicContact CG2-CD2 4.44Å; I243-Y251 HydrophobicContact CG2-CE2 4.27Å
244	D	85.4	Confident	83.6	Confident	98 Å²	98	75.4 Å²	75.4	52%	0.524	40%	0.403	S	S	.	.			trans	-67.1	159.5	175.9	76.9	37.1	0	0	0	112.6	V246 T247 R248	D244-V246 PolarHBondContact O-N 2.58Å; D244-V246 PolarHBondContact OD1-N 3.42Å; D244-V246 VanDerWaalsContact OD1-N 3.09Å; D244-T247 PolarHBondContact O-N 3.04Å; D244-T247 VanDerWaalsContact OD1-CB 3.3Å; D244-T247 WeakPolarHBondContact OD1-CB 3.18Å; D244-T247 PolarHBondContact OD1-N 2.81Å; D244-T247 PolarHBondContact OD1-OG1 3.13Å; D244-T247 PolarHBondContact OD2-OG1 3.23Å; D244-R248 PolarHBondContact O-N 3.45Å
245	K	83.8	Confident	83.3	Confident	149 Å²	149	75.3 Å²	75.3	65%	0.648	41%	0.405	S	S	*	.	H	α-helix	trans	-58.3	-35.9	-173.7	-171.7	177.5	178	177	0	112.7	R248 D249	K245-R248 PolarHBondContact O-NH2 3.19Å; K245-D249 PolarHBondContact O-N 2.93Å; K245-D249 VanDerWaalsContact O-OD2 3.09Å
246	V	86.5	Confident	83	Confident	97 Å²	97	77 Å²	77	59%	0.588	42%	0.416	S	S	*	.	H	α-helix	trans	-73.3	-38.9	-177.4	-179.1	0	0	0	0	110.7	D244 D249 N250	D244-V246 PolarHBondContact O-N 2.58Å; D244-V246 PolarHBondContact OD1-N 3.42Å; D244-V246 VanDerWaalsContact OD1-N 3.09Å; V246-D249 PolarHBondContact O-N 2.94Å; V246-N250 PolarHBondContact O-N 3.02Å; V246-N250 PolarHBondContact O-ND2 2.72Å; V246-N250 VanDerWaalsContact O-ND2 3.08Å
247	T	84.6	Confident	82.6	Confident	42 Å²	42	78 Å²	78	26%	0.258	42%	0.417	S	S	.	.	H	α-helix	trans	-70.4	-39.7	177.5	-56.7	0	0	0	0	110.7	I243 D244 N250 Y251	I243-T247 HydrophobicContact CG2-CG2 3.67Å; D244-T247 PolarHBondContact O-N 3.04Å; D244-T247 VanDerWaalsContact OD1-CB 3.3Å; D244-T247 WeakPolarHBondContact OD1-CB 3.18Å; D244-T247 PolarHBondContact OD1-N 2.81Å; D244-T247 PolarHBondContact OD1-OG1 3.13Å; D244-T247 PolarHBondContact OD2-OG1 3.23Å; T247-N250 PolarHBondContact O-N 3.12Å; T247-Y251 HydrophobicContact CG2-CD2 4.22Å; T247-Y251 HydrophobicContact CG2-CE1 4.11Å; T247-Y251 HydrophobicContact CG2-CE2 3.67Å; T247-Y251 VanDerWaalsContact O-CG 3.31Å; T247-Y251 PolarHBondContact O-N 3.1Å
248	R	88.6	Confident	81.8	Confident	30 Å²	30	80 Å²	80	11%	0.113	43%	0.434	C	S	.	.	H	α-helix	trans	-57.8	-49	168	-178.2	-163.5	51	63.5	20.5	111.1	Y234 Q235 I243 D244 K245 N250 Y251 V252	Y234-R248 WeakPolarHBondContact O-CG 3.44Å; Q235-R248 VanDerWaalsContact OE1-CD 3.3Å; I243-R248 HydrophobicContact CG2-CB 4.31Å; D244-R248 PolarHBondContact O-N 3.45Å; K245-R248 PolarHBondContact O-NH2 3.19Å; R248-N250 VanDerWaalsContact C-N 3.32Å; R248-N250 PolarHBondContact O-N 2.97Å; R248-Y251 PolarHBondContact O-N 2.88Å; R248-V252 HydrophobicContact CG-CG2 4.31Å; R248-V252 WeakPolarHBondContact O-CB 3.46Å; R248-V252 WeakPolarHBondContact O-CG2 3.36Å; R248-V252 PolarHBondContact O-N 3.15Å
249	D	85.9	Confident	80.3	Confident	71 Å²	71	83.1 Å²	83.1	38%	0.38	45%	0.452	S	S	.	.	H	α-helix	trans	-61.9	-38.1	179.1	-76.2	-39.4	0	0	0	112.3	K245 V246 H253	K245-D249 PolarHBondContact O-N 2.93Å; K245-D249 VanDerWaalsContact O-OD2 3.09Å; V246-D249 PolarHBondContact O-N 2.94Å; D249-H253 VanDerWaalsContact O-CB 3.24Å; D249-H253 WeakPolarHBondContact O-CB 3.49Å; D249-H253 PolarHBondContact O-N 2.98Å
250	N	86.1	Confident	78.3	Confident	84 Å²	84	83.3 Å²	83.3	45%	0.449	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-42.2	173	-77.5	-46.2	0	0	0	112.6	V246 T247 R248 H253 N254	V246-N250 PolarHBondContact O-N 3.02Å; V246-N250 PolarHBondContact O-ND2 2.72Å; V246-N250 VanDerWaalsContact O-ND2 3.08Å; T247-N250 PolarHBondContact O-N 3.12Å; R248-N250 VanDerWaalsContact C-N 3.32Å; R248-N250 PolarHBondContact O-N 2.97Å; N250-H253 PolarHBondContact O-N 2.98Å; N250-N254 WeakPolarHBondContact O-CB 3.44Å; N250-N254 VanDerWaalsContact O-CG 3.26Å; N250-N254 PolarHBondContact O-N 2.6Å; N250-N254 PolarHBondContact O-ND2 2.86Å; N250-N254 VanDerWaalsContact O-ND2 3.11Å
251	Y	86.1	Confident	76.1	Confident	92 Å²	92	83.8 Å²	83.8	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-67.1	-43.1	176.9	-67.6	-19.7	0	0	0	112.1	Y234 I243 T247 R248 N254 L255	Y234-Y251 AromaticContact CD1-CD2 3.85Å; Y234-Y251 HydrophobicContact CD1-CD2 3.85Å; Y234-Y251 HydrophobicContact CD1-CG 4.44Å; Y234-Y251 AromaticContact CE1-CD2 3.71Å; Y234-Y251 HydrophobicContact CE1-CD2 3.71Å; Y234-Y251 HydrophobicContact CE1-CE2 4.48Å; Y234-Y251 HydrophobicContact CE1-CG 4.1Å; Y234-Y251 HydrophobicContact CG-CD2 4.49Å; I243-Y251 HydrophobicContact CD1-CD2 4.21Å; I243-Y251 HydrophobicContact CD1-CE2 4Å; I243-Y251 HydrophobicContact CG2-CD2 4.44Å; I243-Y251 HydrophobicContact CG2-CE2 4.27Å; T247-Y251 HydrophobicContact CG2-CD2 4.22Å; T247-Y251 HydrophobicContact CG2-CE1 4.11Å; T247-Y251 HydrophobicContact CG2-CE2 3.67Å; T247-Y251 VanDerWaalsContact O-CG 3.31Å; T247-Y251 PolarHBondContact O-N 3.1Å; R248-Y251 PolarHBondContact O-N 2.88Å; Y251-N254 PolarHBondContact O-N 3.07Å; Y251-L255 WeakPolarHBondContact O-CB 3.41Å; Y251-L255 PolarHBondContact O-N 3.14Å
252	V	83.8	Confident	74	Confident	29 Å²	29	91.9 Å²	91.9	18%	0.176	47%	0.467	C	S	.	.	H	α-helix	trans	-59	-46.4	172.3	166.6	0	0	0	0	111.1	L231 R248 L255 L256	L231-V252 HydrophobicContact CD1-CB 4.38Å; L231-V252 HydrophobicContact CD1-CG1 4.11Å; L231-V252 HydrophobicContact CD1-CG2 3.89Å; R248-V252 HydrophobicContact CG-CG2 4.31Å; R248-V252 WeakPolarHBondContact O-CB 3.46Å; R248-V252 WeakPolarHBondContact O-CG2 3.36Å; R248-V252 PolarHBondContact O-N 3.15Å; V252-L255 PolarHBondContact O-N 3.28Å; V252-L256 HydrophobicContact CG1-CD1 3.91Å; V252-L256 WeakPolarHBondContact O-CG 3.43Å; V252-L256 PolarHBondContact O-N 3.36Å
253	H	79.8	Confident	71.6	Confident	104 Å²	104	90.6 Å²	90.6	48%	0.481	47%	0.468	S	S	.	.	H	α-helix	trans	-63	-43.8	178.5	-174	61.8	0	0	0	112.2	D249 N250 L256 N257	D249-H253 VanDerWaalsContact O-CB 3.24Å; D249-H253 WeakPolarHBondContact O-CB 3.49Å; D249-H253 PolarHBondContact O-N 2.98Å; N250-H253 PolarHBondContact O-N 2.98Å; H253-L256 PolarHBondContact O-N 3.4Å; H253-N257 PolarHBondContact CD2-ND2 2.95Å; H253-N257 VanDerWaalsContact CD2-ND2 3.28Å; H253-N257 PolarHBondContact CE1-ND2 2.94Å; H253-N257 PolarHBondContact NE2-ND2 3.08Å; H253-N257 WeakPolarHBondContact O-CB 3.34Å; H253-N257 PolarHBondContact O-N 2.77Å; H253-N257 PolarHBondContact O-ND2 2.91Å; H253-N257 VanDerWaalsContact O-ND2 3.15Å
254	N	78.5	Confident	69.1	Low	99 Å²	99	97.3 Å²	97.3	53%	0.529	50%	0.503	S	S	.	.	H	α-helix	trans	-64.9	-37.6	176.4	-74.7	-33.1	0	0	0	112.7	N250 Y251 S258	N250-N254 WeakPolarHBondContact O-CB 3.44Å; N250-N254 VanDerWaalsContact O-CG 3.26Å; N250-N254 PolarHBondContact O-N 2.6Å; N250-N254 PolarHBondContact O-ND2 2.86Å; N250-N254 VanDerWaalsContact O-ND2 3.11Å; Y251-N254 PolarHBondContact O-N 3.07Å; N254-S258 WeakPolarHBondContact O-CB 3.37Å; N254-S258 PolarHBondContact O-N 3.13Å; N254-S258 VanDerWaalsContact O-N 3.08Å; N254-S258 PolarHBondContact O-OG 3.21Å
255	L	78.3	Confident	66.7	Low	36 Å²	36	97 Å²	97	19%	0.188	51%	0.509	C	S	.	.	H	α-helix	trans	-66.6	-46.2	175.8	-172.6	66.9	0	0	0	111.5	L230 L231 Y234 Y251 V252 N257 S258 V259	L230-L255 HydrophobicContact CB-CD2 3.9Å; L230-L255 HydrophobicContact CD1-CD1 4.24Å; L231-L255 HydrophobicContact CD1-CD2 3.92Å; Y234-L255 HydrophobicContact CE2-CD2 4.34Å; Y251-L255 WeakPolarHBondContact O-CB 3.41Å; Y251-L255 PolarHBondContact O-N 3.14Å; V252-L255 PolarHBondContact O-N 3.28Å; L255-N257 VanDerWaalsContact C-N 3.33Å; L255-N257 PolarHBondContact O-N 3.49Å; L255-S258 PolarHBondContact O-N 3.03Å; L255-S258 VanDerWaalsContact O-N 3.1Å; L255-S258 PolarHBondContact O-OG 2.94Å; L255-V259 HydrophobicContact CD1-CG2 4.16Å; L255-V259 HydrophobicContact CG-CG2 4.38Å; L255-V259 WeakPolarHBondContact O-CB 3.35Å; L255-V259 WeakPolarHBondContact O-CG2 3.45Å; L255-V259 PolarHBondContact O-N 3.38Å
256	L	73.9	Confident	64.4	Low	99 Å²	99	97.9 Å²	97.9	52%	0.518	52%	0.52	S	S	.	.	H	α-helix	trans	-60.3	-43.2	175.4	-70.6	168.1	0	0	0	111.6	V252 H253 S258 V259 L260	V252-L256 HydrophobicContact CG1-CD1 3.91Å; V252-L256 WeakPolarHBondContact O-CG 3.43Å; V252-L256 PolarHBondContact O-N 3.36Å; H253-L256 PolarHBondContact O-N 3.4Å; L256-S258 PolarHBondContact O-N 3.29Å; L256-V259 PolarHBondContact O-N 3.47Å; L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.42Å
257	N	68.6	Low	62.1	Low	78 Å²	78	96.5 Å²	96.5	42%	0.417	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-18.5	176.1	-70	-25.4	0	0	0	114.1	H253 L255	H253-N257 PolarHBondContact CD2-ND2 2.95Å; H253-N257 VanDerWaalsContact CD2-ND2 3.28Å; H253-N257 PolarHBondContact CE1-ND2 2.94Å; H253-N257 PolarHBondContact NE2-ND2 3.08Å; H253-N257 WeakPolarHBondContact O-CB 3.34Å; H253-N257 PolarHBondContact O-N 2.77Å; H253-N257 PolarHBondContact O-ND2 2.91Å; H253-N257 VanDerWaalsContact O-ND2 3.15Å; L255-N257 VanDerWaalsContact C-N 3.33Å; L255-N257 PolarHBondContact O-N 3.49Å
258	S	67	Low	60.2	Low	85 Å²	85	99.8 Å²	99.8	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-96.2	-28.9	177.9	72.8	0	0	0	0	113.4	N254 L255 L256	N254-S258 WeakPolarHBondContact O-CB 3.37Å; N254-S258 PolarHBondContact O-N 3.13Å; N254-S258 VanDerWaalsContact O-N 3.08Å; N254-S258 PolarHBondContact O-OG 3.21Å; L255-S258 PolarHBondContact O-N 3.03Å; L255-S258 VanDerWaalsContact O-N 3.1Å; L255-S258 PolarHBondContact O-OG 2.94Å; L256-S258 PolarHBondContact O-N 3.29Å
259	V	53.5	Low	57.9	Low	92 Å²	92	104.7 Å²	104.7	56%	0.558	57%	0.568	S	S	*	*	H	α-helix	trans	-87.7	-23.5	179.5	176.1	0	0	0	0	112.5	L255 L256 P261	L255-V259 HydrophobicContact CD1-CG2 4.16Å; L255-V259 HydrophobicContact CG-CG2 4.38Å; L255-V259 WeakPolarHBondContact O-CB 3.35Å; L255-V259 WeakPolarHBondContact O-CG2 3.45Å; L255-V259 PolarHBondContact O-N 3.38Å; L256-V259 PolarHBondContact O-N 3.47Å; V259-P261 WeakPolarHBondContact O-CD 3.43Å
260	L	39.3	Very low	55.7	Low	115 Å²	115	107 Å²	107	60%	0.602	58%	0.58	S	S	*	*	S	Bend	trans	-55.5	120.4	167.4	-84.4	169.1	0	0	0	110	L256 R262	L256-L260 WeakPolarHBondContact O-CB 3.35Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 3.42Å; L260-R262 PolarHBondContact O-N 2.91Å; L260-R262 VanDerWaalsContact O-N 3.09Å
261	P	36.9	Very low	53.2	Low	109 Å²	109	108.9 Å²	108.9	71%	0.708	60%	0.599	S	S	*	*			trans	-61.7	120.5	176.8	25	-32.7	0	0	0	108.6	V259 N263	V259-P261 WeakPolarHBondContact O-CD 3.43Å; P261-N263 VanDerWaalsContact C-N 3.29Å; P261-N263 PolarHBondContact O-N 2.77Å
262	R	35.9	Very low	51.2	Low	234 Å²	234	107.7 Å²	107.7	88%	0.883	60%	0.601	S	S	*	*			trans	-64.7	94	173.8	-72.3	-175	179.6	-180	1.4	108.5	L260 L264	L260-R262 PolarHBondContact O-N 2.91Å; L260-R262 VanDerWaalsContact O-N 3.09Å; R262-L264 PolarHBondContact O-N 2.56Å
263	N	34.6	Very low	49	Very low	137 Å²	137	110.2 Å²	110.2	73%	0.733	62%	0.618	S	S	*	*			trans	-47.4	139.5	176.5	-114.3	-51.9	0	0	0	110.2	P261 S265	P261-N263 VanDerWaalsContact C-N 3.29Å; P261-N263 PolarHBondContact O-N 2.77Å; N263-S265 PolarHBondContact O-N 3.38Å; N263-S265 PolarHBondContact O-OG 3.26Å
264	L	34.5	Very low	47.4	Very low	164 Å²	164	109.9 Å²	109.9	86%	0.859	62%	0.623	S	S	*	*	S	Bend	trans	-76.4	39.5	-174.9	-67	168.6	0	0	0	112.3	R262	R262-L264 PolarHBondContact O-N 2.56Å
265	S	34.4	Very low	45.9	Very low	91 Å²	91	111.6 Å²	111.6	64%	0.636	63%	0.628	S	S	*	*			trans	-100.6	-0.9	-171.5	55.1	0	0	0	0	114.7	N263	N263-S265 PolarHBondContact O-N 3.38Å; N263-S265 PolarHBondContact O-OG 3.26Å
266	N	36.7	Very low	44.1	Very low	167 Å²	167	113.5 Å²	113.5	89%	0.893	64%	0.641	S	S	*	*			trans	-98.4	11.4	174.1	-77.9	-13	0	0	0	113.7
267	S	36.7	Very low	42.4	Very low	68 Å²	68	117.4 Å²	117.4	48%	0.476	65%	0.649	S	S	.	*			trans	-81.4	139.2	164.2	-175.9	0	0	0	0	109.9	D269	S267-D269 PolarHBondContact O-N 3.26Å
268	S	44.6	Very low	41	Very low	111 Å²	111	121.5 Å²	121.5	78%	0.776	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-14.5	178.6	41	0	0	0	0	114.1
269	D	40.4	Very low	39.5	Very low	134 Å²	134	124 Å²	124	72%	0.717	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	11	-152.6	-58.5	-7.9	0	0	0	114.1	S267	S267-D269 PolarHBondContact O-N 3.26Å
270	I	39.9	Very low	38.4	Very low	120 Å²	120	129 Å²	129	62%	0.615	68%	0.677	S	S	*	*			trans	-125.7	104.9	179.2	-50.9	-178.9	0	0	0	110.8	V272	I270-V272 VanDerWaalsContact C-N 3.35Å; I270-V272 HydrophobicContact CG2-CG2 3.87Å; I270-V272 PolarHBondContact O-N 3.01Å
271	S	34.8	Very low	38.2	Very low	122 Å²	122	126.8 Å²	126.8	85%	0.853	68%	0.676	S	S	*	*			trans	-80.1	72.2	-179.2	61	0	0	0	0	112.9
272	V	42.4	Very low	38	Very low	68 Å²	68	133.9 Å²	133.9	41%	0.412	69%	0.689	S	S	.	*			trans	-71.8	130.9	173.6	-173.7	0	0	0	0	110.6	I270 V276	I270-V272 VanDerWaalsContact C-N 3.35Å; I270-V272 HydrophobicContact CG2-CG2 3.87Å; I270-V272 PolarHBondContact O-N 3.01Å; V272-V276 HydrophobicContact CG1-CB 3.97Å; V272-V276 HydrophobicContact CG1-CG1 4.29Å; V272-V276 HydrophobicContact CG1-CG2 4.13Å
273	P	39.4	Very low	38	Very low	81 Å²	81	130.1 Å²	130.1	53%	0.526	69%	0.686	S	S	.	*			trans	-54.1	155.8	179	-29.2	36.5	0	0	0	115.4	E275 V276	P273-E275 VanDerWaalsContact C-N 3.27Å; P273-E275 PolarHBondContact O-N 3.39Å; P273-V276 PolarHBondContact O-N 2.94Å
274	V	45.9	Very low	38.1	Very low	98 Å²	98	132.7 Å²	132.7	59%	0.594	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-30	-171	176.6	0	0	0	0	112	V276 R277	V274-V276 PolarHBondContact O-N 3.48Å; V274-R277 WeakPolarHBondContact O-CB 3.25Å; V274-R277 PolarHBondContact O-N 3.1Å
275	E	45.4	Very low	38.2	Very low	134 Å²	134	131.1 Å²	131.1	63%	0.626	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-42.3	-176.5	-69.9	56.2	-125.9	0	0	111.6	P273 R277 K278	P273-E275 VanDerWaalsContact C-N 3.27Å; P273-E275 PolarHBondContact O-N 3.39Å; E275-R277 PolarHBondContact O-N 3.08Å; E275-K278 PolarHBondContact O-N 3.06Å
276	V	42.5	Very low	38.3	Very low	77 Å²	77	132.9 Å²	132.9	47%	0.467	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-66.1	-29.3	179.5	-170.2	0	0	0	0	111.2	V272 P273 V274 K278 M279	V272-V276 HydrophobicContact CG1-CB 3.97Å; V272-V276 HydrophobicContact CG1-CG1 4.29Å; V272-V276 HydrophobicContact CG1-CG2 4.13Å; P273-V276 PolarHBondContact O-N 2.94Å; V274-V276 PolarHBondContact O-N 3.48Å; V276-K278 PolarHBondContact O-N 2.95Å; V276-M279 PolarHBondContact O-N 3.3Å
277	R	37.4	Very low	38.2	Very low	181 Å²	181	130.6 Å²	130.6	68%	0.683	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-71	-1.4	-176.9	-151.2	175.5	-64.5	-145.4	-0.5	113.8	V274 E275	V274-R277 WeakPolarHBondContact O-CB 3.25Å; V274-R277 PolarHBondContact O-N 3.1Å; E275-R277 PolarHBondContact O-N 3.08Å
278	K	40	Very low	38	Very low	164 Å²	164	135.2 Å²	135.2	71%	0.713	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-94.6	-16.4	176.3	-69.5	-179.9	178.4	173.1	0	114.8	E275 V276	E275-K278 PolarHBondContact O-N 3.06Å; V276-K278 PolarHBondContact O-N 2.95Å
279	M	34.9	Very low	37.5	Very low	137 Å²	137	139.5 Å²	139.5	68%	0.675	71%	0.714	S	S	*	*	S	Bend	trans	-77.4	-20.4	-176.1	-75.5	176	62.3	0	0	114.4	V276	V276-M279 PolarHBondContact O-N 3.3Å
280	Y	30.7	Very low	36.9	Very low	196 Å²	196	138.1 Å²	138.1	77%	0.769	71%	0.714	S	S	*	*	S	Bend	trans	-128.9	66.3	-171.7	-60.4	-74.8	0	0	0	112.2
281	A	34	Very low	36.7	Very low	70 Å²	70	140.9 Å²	140.9	58%	0.579	73%	0.725	S	S	*	*			trans	-132.8	101.2	173.4	0	0	0	0	0	110.6	N283	A281-N283 PolarHBondContact O-N 3.43Å
282	W	32.8	Very low	36.7	Very low	258 Å²	258	141.2 Å²	141.2	98%	0.977	72%	0.722	S	S	*	*			trans	-67.2	114.4	170.8	-87.8	42.4	0	0	0	110	K284	W282-K284 PolarHBondContact O-N 2.76Å
283	N	36.8	Very low	36.1	Very low	154 Å²	154	143.7 Å²	143.7	82%	0.824	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-67.6	128.4	171.3	-77.1	-37.2	0	0	0	109.9	A281	A281-N283 PolarHBondContact O-N 3.43Å
284	K	36	Very low	35.7	Very low	192 Å²	192	147.2 Å²	147.2	84%	0.835	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-66	140.8	172.6	-67.7	-175.6	177.8	-176.9	0	109.9	W282 T286	W282-K284 PolarHBondContact O-N 2.76Å; K284-T286 PolarHBondContact O-N 3.01Å
285	P	35.8	Very low	35.2	Very low	130 Å²	130	149.7 Å²	149.7	84%	0.844	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58.6	125.2	174.3	-24	34	0	0	0	111.7
286	T	36.9	Very low	34.6	Very low	128 Å²	128	148.8 Å²	148.8	79%	0.785	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-71.9	130.8	172.9	-12.6	0	0	0	0	109.3	K284 I288	K284-T286 PolarHBondContact O-N 3.01Å; T286-I288 PolarHBondContact O-N 3.15Å
287	P	34.6	Very low	34.2	Very low	120 Å²	120	153.3 Å²	153.3	78%	0.779	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.3	127.3	-178	27	-34.1	0	0	0	111.4	K289	P287-K289 PolarHBondContact O-N 2.84Å
288	I	32.4	Very low	34	Very low	164 Å²	164	150.2 Å²	150.2	84%	0.841	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-65.9	127.3	174.2	-62	169	0	0	0	108.9	T286	T286-I288 PolarHBondContact O-N 3.15Å
289	K	33.8	Very low	33.5	Very low	202 Å²	202	147.9 Å²	147.9	88%	0.878	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-93.6	135.5	164.1	-81.8	-168.8	171.5	-170.3	0	110.1	P287	P287-K289 PolarHBondContact O-N 2.84Å
290	S	28.8	Very low	33.4	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-86.1	133.6	174.7	53.5	0	0	0	0	111.9
291	E	35.8	Very low	33.2	Very low	178 Å²	178	149 Å²	149	83%	0.832	78%	0.781	S	S	*	*			trans	-168	94.2	152.9	-105.3	152.3	-135.3	0	0	106.3
292	T	33.6	Very low	33	Very low	129 Å²	129	151.4 Å²	151.4	79%	0.791	79%	0.785	S	S	*	*				83.3	144.8	101.3	47.4	0	0	0	0	114.5
293	P	30.7	Very low	32.8	Very low	120 Å²	120	147 Å²	147	78%	0.779	77%	0.773	S	S	*	*			trans	-90	158	-148.9	34.4	-37.6	0	0	0	116.4
294	I	31	Very low	32.5	Very low	156 Å²	156	146.7 Å²	146.7	80%	0.8	77%	0.766	S	S	*	*			trans	-24.6	129.5	159.4	-56.7	156.5	0	0	0	114.1
295	D	36	Very low	32.3	Very low	149 Å²	149	143.7 Å²	143.7	80%	0.797	76%	0.764	S	S	*	*			trans	-142.9	169.2	138.2	-145.7	-21.1	0	0	0	110.8
296	N	31.3	Very low	32.1	Very low	116 Å²	116	140.7 Å²	140.7	62%	0.62	76%	0.757	S	S	*	*			trans	-102.8	138.5	-154.3	-60	-96.5	0	0	0	112.7
297	H	35.1	Very low	31.8	Very low	171 Å²	171	139.9 Å²	139.9	79%	0.792	76%	0.757	S	S	*	*				170.3	132	112.6	-108.3	-97.8	0	0	0	114.5
298	V	33	Very low	31.9	Very low	117 Å²	117	140.7 Å²	140.7	71%	0.709	75%	0.753	S	S	*	*			trans	59.9	143.5	133.8	166.2	0	0	0	0	121.6
299	T	28.8	Very low	32	Very low	114 Å²	114	140.1 Å²	140.1	70%	0.699	75%	0.751	S	S	*	*			trans	-45	161.8	168.9	48.1	0	0	0	0	114.4
300	E	32.7	Very low	32.3	Very low	167 Å²	167	134.7 Å²	134.7	78%	0.78	74%	0.738	S	S	*	*				-167.7	167.4	51.6	-161.8	162.2	-161.6	0	0	114.9
301	Y	27.4	Very low	32.7	Very low	189 Å²	189	136.1 Å²	136.1	74%	0.741	74%	0.738	S	S	*	*			trans	-20.2	145.5	177.2	-81.2	-73.4	0	0	0	124.1
302	N	29.7	Very low	32.9	Very low	121 Å²	121	134 Å²	134	65%	0.647	73%	0.732	S	S	*	*			trans	80.7	136.1	130.7	-76.3	-20.5	0	0	0	123.9
303	F	29.1	Very low	33.2	Very low	167 Å²	167	133.8 Å²	133.8	73%	0.732	73%	0.725	S	S	*	*			trans	65.2	148.6	138.1	-84.4	-120.7	0	0	0	119.2
304	E	30.7	Very low	33.3	Very low	146 Å²	146	135.1 Å²	135.1	68%	0.682	73%	0.725	S	S	*	*			cis	-167.9	170.9	-19	-138.8	-168.6	177.3	0	0	109.6
305	V	30.6	Very low	33.5	Very low	129 Å²	129	132.5 Å²	132.5	78%	0.782	73%	0.727	S	S	*	*			trans	56.7	131.1	154.7	178.2	0	0	0	0	120.8
306	G	31.7	Very low	33.3	Very low	68 Å²	68	131 Å²	131	70%	0.701	73%	0.728	S	S	*	*			trans	140.6	80.5	162.1	0	0	0	0	0	112.9
307	S	31.6	Very low	33.7	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	74%	0.739	S	S	*	*				62.8	127.1	67.5	-153.2	0	0	0	0	111.6
308	I	35.2	Very low	33.6	Very low	137 Å²	137	127.1 Å²	127.1	70%	0.703	74%	0.738	S	S	*	*				-172.5	133.5	74.9	-88.1	178.5	0	0	0	110.8
309	L	36	Very low	33.7	Very low	151 Å²	151	129.8 Å²	129.8	79%	0.791	74%	0.743	S	S	*	*			trans	59.3	162.8	154.8	-62.8	171.9	0	0	0	120.1
310	S	38.5	Very low	33.8	Very low	89 Å²	89	130.7 Å²	130.7	62%	0.622	74%	0.743	S	S	*	*			cis	-153.4	151	4.1	1	0	0	0	0	113.9
311	D	38.6	Very low	34	Very low	134 Å²	134	129.4 Å²	129.4	72%	0.717	74%	0.741	S	S	*	*			trans	57.2	147.6	133.8	-40.4	-20.2	0	0	0	121.2
312	D	39.4	Very low	34.3	Very low	132 Å²	132	125 Å²	125	71%	0.706	74%	0.738	S	S	*	*			cis	-163	165.6	1.8	-135.2	-15	0	0	0	116.5
313	I	40	Very low	34.6	Very low	125 Å²	125	124.2 Å²	124.2	64%	0.641	74%	0.742	S	S	*	*			trans	66.6	104	147.4	-71.9	156.9	0	0	0	123.9
314	N	33.7	Very low	35	Very low	149 Å²	149	122.6 Å²	122.6	80%	0.797	74%	0.741	S	S	*	*				41.3	131.5	126.5	-48.1	-39.8	0	0	0	125.4
315	A	35	Very low	35.4	Very low	100 Å²	100	123.4 Å²	123.4	83%	0.826	74%	0.744	S	S	*	*				178.2	153.6	108	0	0	0	0	0	114.9
316	S	32.3	Very low	35.6	Very low	118 Å²	118	120.9 Å²	120.9	83%	0.825	73%	0.732	S	S	*	*			trans	-136	-163.6	178.7	-38.4	0	0	0	0	109.9
317	P	37.8	Very low	35.7	Very low	131 Å²	131	128.3 Å²	128.3	85%	0.851	74%	0.741	S	S	*	*			cis	-138.2	-178.4	-18.8	40.7	-22.6	0	0	0	116.1
318	G	34.8	Very low	36.1	Very low	74 Å²	74	128.5 Å²	128.5	76%	0.763	74%	0.739	S	S	*	*			trans	99.1	166.7	152.6	0	0	0	0	0	118.5
319	Q	33.4	Very low	35.7	Very low	174 Å²	174	129.6 Å²	129.6	81%	0.813	75%	0.746	S	S	*	*			cis	-169.1	152.1	-24.5	-140.2	-164.3	-7.9	0	0	111.7
320	L	32.5	Very low	35.7	Very low	133 Å²	133	130.5 Å²	130.5	70%	0.696	75%	0.751	S	S	*	*			trans	80.3	147.6	151.5	-74.6	167.5	0	0	0	124.7
321	N	35.6	Very low	35.4	Very low	140 Å²	140	131.5 Å²	131.5	75%	0.749	76%	0.757	S	S	*	*			trans	77.6	143.2	156.3	-65.9	-6.3	0	0	0	121.6
322	S	33.9	Very low	35.4	Very low	97 Å²	97	130 Å²	130	68%	0.678	76%	0.755	S	S	*	*			cis	-174.3	132.6	-22.9	50.1	0	0	0	0	112.8
323	S	35.7	Very low	35.1	Very low	104 Å²	104	130.4 Å²	130.4	73%	0.727	76%	0.757	S	S	*	*			trans	52.6	162.3	155.8	87.8	0	0	0	0	119.4
324	D	38	Very low	34.6	Very low	133 Å²	133	130.2 Å²	130.2	71%	0.711	76%	0.762	S	S	*	*			cis	-150.4	-178.5	13.9	-117.4	-59	0	0	0	108.2
325	H	38.5	Very low	34.7	Very low	162 Å²	162	129.5 Å²	129.5	75%	0.75	76%	0.757	S	S	*	*			cis	-154.9	-152.5	12.9	-152.5	41.8	0	0	0	113.1
326	S	36.4	Very low	34.8	Very low	76 Å²	76	132.3 Å²	132.3	53%	0.531	75%	0.753	S	S	.	*			trans	-46.9	141.1	174.7	53.5	0	0	0	0	119.1
327	Y	33.9	Very low	35.1	Very low	225 Å²	225	133.4 Å²	133.4	88%	0.882	75%	0.75	S	S	*	*			cis	85.9	154.2	46.2	-74.2	-52.1	0	0	0	115.2
328	P	38.3	Very low	35	Very low	115 Å²	115	133.3 Å²	133.3	75%	0.747	74%	0.742	S	S	*	*			cis	-130.6	172.1	0.9	39.4	-22.8	0	0	0	116.9
329	L	28.4	Very low	34.9	Very low	159 Å²	159	134.1 Å²	134.1	83%	0.832	74%	0.737	S	S	*	*			trans	-92.1	154.2	158.3	-94.3	154.4	0	0	0	110.7
330	L	34.7	Very low	35.1	Very low	171 Å²	171	134.1 Å²	134.1	90%	0.895	74%	0.741	S	S	*	*			trans	-134.9	144.4	158.5	-87.8	171.9	0	0	0	109.7
331	S	31.9	Very low	35	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	75%	0.746	S	S	*	*			trans	-137.7	-158.5	-167.6	56.5	0	0	0	0	112.1
332	P	39.7	Very low	34.9	Very low	103 Å²	103	134.2 Å²	134.2	67%	0.669	75%	0.752	S	S	*	*				-103.6	-173.1	-117.8	40.8	-26.7	0	0	0	114.3
333	N	33.5	Very low	34.8	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	75%	0.752	S	S	*	*				176.8	124.9	129.8	-92.7	-16.8	0	0	0	117.7
334	T	29.8	Very low	34.7	Very low	121 Å²	121	138.1 Å²	138.1	74%	0.742	76%	0.761	S	S	*	*			trans	62.1	154.8	137.7	47.8	0	0	0	0	126.6
335	L	35.3	Very low	34.4	Very low	133 Å²	133	138.8 Å²	138.8	70%	0.696	76%	0.758	S	S	*	*			trans	74.4	117.8	169.7	-87.4	61.3	0	0	0	115.7
336	E	36	Very low	34.2	Very low	159 Å²	159	138.8 Å²	138.8	74%	0.743	76%	0.764	S	S	*	*				77	134.3	64.6	-69.3	164.2	-145.9	0	0	111.8
337	D	39.1	Very low	33.9	Very low	142 Å²	142	143 Å²	143	76%	0.759	77%	0.772	S	S	*	*			cis	-155.7	-177.1	5.1	-145.2	-18.6	0	0	0	112.9
338	D	36	Very low	33.8	Very low	128 Å²	128	138 Å²	138	68%	0.684	77%	0.77	S	S	*	*			trans	76.6	99.1	154.3	-100	-30.9	0	0	0	122.6
339	S	32.3	Very low	33.4	Very low	92 Å²	92	138 Å²	138	64%	0.643	77%	0.77	S	S	*	*				46.3	115.7	111.1	-46.2	0	0	0	0	121.8
340	L	38.9	Very low	33.6	Very low	174 Å²	174	139.8 Å²	139.8	91%	0.911	77%	0.774	S	S	*	*				-172.4	158.6	96.7	-99.3	173	0	0	0	112.8
341	Q	28.9	Very low	33.6	Very low	169 Å²	169	138.2 Å²	138.2	79%	0.79	77%	0.765	S	S	*	*			trans	-99.5	151.1	-170.9	-61	172.1	-57.3	0	0	113.8
342	A	35	Very low	33.5	Very low	106 Å²	106	139.3 Å²	139.3	88%	0.876	76%	0.763	S	S	*	*			trans	-152.2	102.8	148.8	0	0	0	0	0	109.5
343	E	29.8	Very low	33.4	Very low	146 Å²	146	140.8 Å²	140.8	68%	0.682	76%	0.764	S	S	*	*			trans	-83.5	146.5	174.3	-63.9	-177.9	145	0	0	111.4
344	C	34.9	Very low	33.2	Very low	136 Å²	136	140.6 Å²	140.6	92%	0.919	76%	0.763	S	S	*	*			trans	-147	133.4	140.9	-127.7	0	0	0	0	109.7
345	F	30.4	Very low	33.7	Very low	148 Å²	148	141.4 Å²	141.4	65%	0.649	76%	0.762	S	S	*	*			trans	-85.2	151	-174.8	-73.3	-107.8	0	0	0	111.3
346	D	35.4	Very low	33.7	Very low	162 Å²	162	140.2 Å²	140.2	87%	0.866	76%	0.762	S	S	*	*				-144.9	166.9	113.7	-139	-28.4	0	0	0	111.6
347	K	30.5	Very low	33.7	Very low	165 Å²	165	140.8 Å²	140.8	72%	0.717	77%	0.771	S	S	*	*			trans	-109.9	148.3	-165.9	-61.6	172.3	-178.9	171.4	0	113.4
348	S	31.6	Very low	33.8	Very low	119 Å²	119	137.8 Å²	137.8	83%	0.832	76%	0.757	S	S	*	*				-166.4	149	119.2	-82	0	0	0	0	110.9
349	P	30.1	Very low	34.3	Very low	114 Å²	114	134 Å²	134	74%	0.74	74%	0.741	S	S	*	*			trans	-85	144.3	179	34.1	-33.6	0	0	0	112
350	E	31	Very low	35.1	Very low	198 Å²	198	138.6 Å²	138.6	93%	0.925	74%	0.744	S	S	*	*			trans	-69.9	131.9	167.9	-65.7	176.2	138	0	0	110.1
351	I	35.5	Very low	35.3	Very low	138 Å²	138	134.2 Å²	134.2	71%	0.708	73%	0.728	S	S	*	*			trans	-108	102.8	168.6	-56.5	179.2	0	0	0	106.6	L353	I351-L353 HydrophobicContact CG2-CD2 4.38Å; I351-L353 HydrophobicContact CG2-CG 4.1Å; I351-L353 PolarHBondContact O-N 3Å
352	D	30.5	Very low	36.1	Very low	132 Å²	132	130.1 Å²	130.1	71%	0.706	71%	0.711	S	S	*	*			trans	-72.6	75.3	-179.9	-177.8	24.2	0	0	0	111.8	N354	D352-N354 PolarHBondContact O-N 3.28Å; D352-N354 PolarHBondContact O-ND2 3.35Å; D352-N354 VanDerWaalsContact O-ND2 3.13Å; D352-N354 PolarHBondContact OD1-ND2 2.97Å; D352-N354 VanDerWaalsContact OD1-ND2 3.12Å; D352-N354 PolarHBondContact OD2-ND2 3.27Å
353	L	36.1	Very low	36.7	Very low	133 Å²	133	130.4 Å²	130.4	70%	0.696	70%	0.695	S	S	*	*			trans	-71.8	91.6	170.4	-72.7	177.2	0	0	0	109.4	I351 L355	I351-L353 HydrophobicContact CG2-CD2 4.38Å; I351-L353 HydrophobicContact CG2-CG 4.1Å; I351-L353 PolarHBondContact O-N 3Å; L353-L355 HydrophobicContact CB-CD1 3.98Å; L353-L355 PolarHBondContact O-N 3.24Å
354	N	30.8	Very low	37.5	Very low	137 Å²	137	127.7 Å²	127.7	73%	0.733	69%	0.688	S	S	*	*			trans	-64.2	75.4	174	-81.4	-113.1	0	0	0	111.2	D352	D352-N354 PolarHBondContact O-N 3.28Å; D352-N354 PolarHBondContact O-ND2 3.35Å; D352-N354 VanDerWaalsContact O-ND2 3.13Å; D352-N354 PolarHBondContact OD1-ND2 2.97Å; D352-N354 VanDerWaalsContact OD1-ND2 3.12Å; D352-N354 PolarHBondContact OD2-ND2 3.27Å
355	L	39.7	Very low	38.1	Very low	138 Å²	138	126.4 Å²	126.4	72%	0.723	67%	0.671	S	S	*	*			trans	-90.7	145.2	164.7	-87.5	74.9	0	0	0	109.6	L353	L353-L355 HydrophobicContact CB-CD1 3.98Å; L353-L355 PolarHBondContact O-N 3.24Å
356	P	35.1	Very low	38.9	Very low	108 Å²	108	122.2 Å²	122.2	70%	0.701	66%	0.664	S	S	*	*			trans	-68.9	141.7	176.6	29.7	-34.6	0	0	0	111.1	V358	P356-V358 PolarHBondContact O-N 2.89Å
357	D	37	Very low	39.4	Very low	172 Å²	172	122.9 Å²	122.9	92%	0.92	66%	0.655	S	S	*	*			trans	-74.1	91.6	179.9	-156.1	7.9	0	0	0	109.9
358	V	41	Very low	40	Very low	78 Å²	78	116.9 Å²	116.9	47%	0.473	64%	0.636	S	S	.	*			trans	-77	127.1	-175.2	173.5	0	0	0	0	110.4	P356 D362 Q363	P356-V358 PolarHBondContact O-N 2.89Å; V358-D362 HydrophobicContact CG1-CB 3.76Å; V358-Q363 PolarHBondContact O-NE2 3.07Å
359	S	46.1	Very low	40.5	Very low	49 Å²	49	117.5 Å²	117.5	34%	0.343	63%	0.627	S	S	.	*			trans	-62.4	144.1	-171	84.3	0	0	0	0	112.1	S361 D362 Q363	S359-S361 PolarHBondContact O-N 3.35Å; S359-S361 VanDerWaalsContact O-N 3.13Å; S359-S361 PolarHBondContact OG-OG 2.88Å; S359-D362 WeakPolarHBondContact CB-OD2 3.49Å; S359-D362 PolarHBondContact N-OD2 2.86Å; S359-D362 WeakPolarHBondContact O-CB 3.24Å; S359-D362 PolarHBondContact O-N 2.92Å; S359-D362 PolarHBondContact OG-N 3.5Å; S359-D362 PolarHBondContact OG-OD2 2.87Å; S359-Q363 PolarHBondContact O-N 2.92Å
360	R	48.2	Very low	41.2	Very low	188 Å²	188	115.9 Å²	115.9	71%	0.709	62%	0.618	S	S	*	*	H	α-helix	trans	-60.3	-27.7	-178.6	-161.7	169.9	-176.7	151.3	1.7	112.3	Q363 T364	R360-Q363 WeakPolarHBondContact O-CB 3.39Å; R360-Q363 PolarHBondContact O-N 2.87Å; R360-T364 PolarHBondContact O-N 3.48Å; R360-T364 PolarHBondContact O-OG1 2.9Å
361	S	44.3	Very low	41.7	Very low	82 Å²	82	111.4 Å²	111.4	57%	0.573	60%	0.601	S	S	*	*	H	α-helix	trans	-60.6	-39.9	170	23.7	0	0	0	0	113.8	S359 Q363 T364 L365	S359-S361 PolarHBondContact O-N 3.35Å; S359-S361 VanDerWaalsContact O-N 3.13Å; S359-S361 PolarHBondContact OG-OG 2.88Å; S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact O-N 2.79Å; S361-T364 PolarHBondContact O-N 2.83Å; S361-L365 WeakPolarHBondContact O-CB 3.35Å; S361-L365 PolarHBondContact O-N 3.09Å
362	D	46	Very low	41.8	Very low	83 Å²	83	110.6 Å²	110.6	44%	0.444	60%	0.597	S	S	.	*	H	α-helix	trans	-67.4	-34.3	177	-56.3	-51.1	0	0	0	110.8	V358 S359 L365 A366	V358-D362 HydrophobicContact CG1-CB 3.76Å; S359-D362 WeakPolarHBondContact CB-OD2 3.49Å; S359-D362 PolarHBondContact N-OD2 2.86Å; S359-D362 WeakPolarHBondContact O-CB 3.24Å; S359-D362 PolarHBondContact O-N 2.92Å; S359-D362 PolarHBondContact OG-N 3.5Å; S359-D362 PolarHBondContact OG-OD2 2.87Å; D362-L365 PolarHBondContact O-N 2.92Å; D362-A366 VanDerWaalsContact O-CB 3.25Å; D362-A366 WeakPolarHBondContact O-CB 3.28Å; D362-A366 PolarHBondContact O-N 3.46Å
363	Q	47.1	Very low	42.1	Very low	113 Å²	113	108.4 Å²	108.4	53%	0.528	59%	0.592	S	S	.	*	H	α-helix	trans	-68.5	-43.1	175.6	-55.2	176.7	27.1	0	0	111.4	V358 S359 R360 S361 A366 W367	V358-Q363 PolarHBondContact O-NE2 3.07Å; S359-Q363 PolarHBondContact O-N 2.92Å; R360-Q363 WeakPolarHBondContact O-CB 3.39Å; R360-Q363 PolarHBondContact O-N 2.87Å; S361-Q363 VanDerWaalsContact C-N 3.28Å; S361-Q363 PolarHBondContact O-N 2.79Å; Q363-A366 PolarHBondContact O-N 2.89Å; Q363-W367 WeakPolarHBondContact O-CB 3.36Å; Q363-W367 PolarHBondContact O-N 3.43Å
364	T	47.3	Very low	41.9	Very low	89 Å²	89	107.4 Å²	107.4	55%	0.546	59%	0.585	S	S	.	*	H	α-helix	trans	-64.1	-39.4	173.8	-55.9	0	0	0	0	111.9	R360 S361 W367 A368	R360-T364 PolarHBondContact O-N 3.48Å; R360-T364 PolarHBondContact O-OG1 2.9Å; S361-T364 PolarHBondContact O-N 2.83Å; T364-W367 PolarHBondContact O-N 2.85Å; T364-A368 WeakPolarHBondContact O-CB 3.39Å; T364-A368 PolarHBondContact O-N 3.47Å
365	L	47.2	Very low	41.8	Very low	108 Å²	108	107.5 Å²	107.5	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-67	-44.5	175.5	-178	61	0	0	0	111.7	S361 D362 W367 A368 M369	S361-L365 WeakPolarHBondContact O-CB 3.35Å; S361-L365 PolarHBondContact O-N 3.09Å; D362-L365 PolarHBondContact O-N 2.92Å; L365-W367 VanDerWaalsContact C-N 3.32Å; L365-W367 PolarHBondContact O-N 2.96Å; L365-A368 PolarHBondContact O-N 3.2Å; L365-M369 WeakPolarHBondContact O-CG 3.1Å; L365-M369 PolarHBondContact O-N 3.38Å
366	A	45.9	Very low	41.3	Very low	60 Å²	60	106.8 Å²	106.8	50%	0.496	58%	0.583	S	S	.	*	H	α-helix	trans	-61.5	-39.7	175	0	0	0	0	0	112	D362 Q363 M369 S370	D362-A366 VanDerWaalsContact O-CB 3.25Å; D362-A366 WeakPolarHBondContact O-CB 3.28Å; D362-A366 PolarHBondContact O-N 3.46Å; Q363-A366 PolarHBondContact O-N 2.89Å; A366-M369 PolarHBondContact O-N 2.94Å; A366-S370 VanDerWaalsContact O-CB 3.27Å; A366-S370 WeakPolarHBondContact O-CB 3.44Å; A366-S370 PolarHBondContact O-N 2.87Å
367	W	47.4	Very low	41	Very low	176 Å²	176	107 Å²	107	67%	0.667	58%	0.582	S	S	*	*	H	α-helix	trans	-64.8	-43.6	173.8	-176.4	91.3	0	0	0	111.9	Q363 T364 L365 M369 S370 N371	Q363-W367 WeakPolarHBondContact O-CB 3.36Å; Q363-W367 PolarHBondContact O-N 3.43Å; T364-W367 PolarHBondContact O-N 2.85Å; L365-W367 VanDerWaalsContact C-N 3.32Å; L365-W367 PolarHBondContact O-N 2.96Å; W367-M369 PolarHBondContact O-N 3.46Å; W367-S370 PolarHBondContact O-N 2.87Å; W367-N371 PolarHBondContact NE1-ND2 2.92Å; W367-N371 PolarHBondContact O-N 3.45Å; W367-N371 PolarHBondContact O-ND2 3.32Å
368	A	43.1	Very low	40.7	Very low	39 Å²	39	104.2 Å²	104.2	32%	0.322	57%	0.572	S	S	.	*	H	α-helix	trans	-61.5	-43.7	175.5	0	0	0	0	0	111.8	T364 L365 N371 L372	T364-A368 WeakPolarHBondContact O-CB 3.39Å; T364-A368 PolarHBondContact O-N 3.47Å; L365-A368 PolarHBondContact O-N 3.2Å; A368-N371 PolarHBondContact O-N 3.32Å; A368-L372 WeakPolarHBondContact O-CG 3.47Å; A368-L372 PolarHBondContact O-N 2.92Å; A368-L372 VanDerWaalsContact O-N 3.16Å
369	M	41.7	Very low	40.1	Very low	133 Å²	133	107.5 Å²	107.5	66%	0.655	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-35.8	175	-67.8	-163.2	75.3	0	0	112.7	L365 A366 W367 N371 L372	L365-M369 WeakPolarHBondContact O-CG 3.1Å; L365-M369 PolarHBondContact O-N 3.38Å; A366-M369 PolarHBondContact O-N 2.94Å; W367-M369 PolarHBondContact O-N 3.46Å; M369-N371 VanDerWaalsContact C-N 3.3Å; M369-N371 PolarHBondContact O-N 3.37Å; M369-L372 PolarHBondContact O-N 3.31Å
370	S	43.7	Very low	39.3	Very low	79 Å²	79	113.4 Å²	113.4	55%	0.552	61%	0.609	S	S	*	*	H	α-helix	trans	-68.3	-26	176.5	-174.3	0	0	0	0	113.6	A366 W367 C373	A366-S370 VanDerWaalsContact O-CB 3.27Å; A366-S370 WeakPolarHBondContact O-CB 3.44Å; A366-S370 PolarHBondContact O-N 2.87Å; W367-S370 PolarHBondContact O-N 2.87Å; S370-C373 PolarHBondContact O-SG 3.11Å; S370-C373 VanDerWaalsContact O-SG 3.34Å
371	N	41.2	Very low	38.7	Very low	104 Å²	104	111.1 Å²	111.1	56%	0.556	61%	0.609	S	S	*	*	H	α-helix	trans	-91.5	-10.2	175.2	-72.1	-80.8	0	0	0	112.7	W367 A368 M369 C373	W367-N371 PolarHBondContact NE1-ND2 2.92Å; W367-N371 PolarHBondContact O-N 3.45Å; W367-N371 PolarHBondContact O-ND2 3.32Å; A368-N371 PolarHBondContact O-N 3.32Å; M369-N371 VanDerWaalsContact C-N 3.3Å; M369-N371 PolarHBondContact O-N 3.37Å; N371-C373 VanDerWaalsContact C-N 3.25Å; N371-C373 PolarHBondContact O-N 3.44Å
372	L	38.6	Very low	38	Very low	122 Å²	122	114.6 Å²	114.6	64%	0.639	62%	0.622	S	S	*	*			trans	-90.1	22.5	170	-74.9	167.2	0	0	0	112.6	A368 M369 I374	A368-L372 WeakPolarHBondContact O-CG 3.47Å; A368-L372 PolarHBondContact O-N 2.92Å; A368-L372 VanDerWaalsContact O-N 3.16Å; M369-L372 PolarHBondContact O-N 3.31Å; L372-I374 VanDerWaalsContact C-N 3.35Å; L372-I374 PolarHBondContact O-N 3.33Å
373	C	35.7	Very low	37.3	Very low	86 Å²	86	116.3 Å²	116.3	58%	0.581	64%	0.635	S	S	*	*			trans	-63.6	92.1	170.6	-79.4	0	0	0	0	110.9	S370 N371 D375	S370-C373 PolarHBondContact O-SG 3.11Å; S370-C373 VanDerWaalsContact O-SG 3.34Å; N371-C373 VanDerWaalsContact C-N 3.25Å; N371-C373 PolarHBondContact O-N 3.44Å; C373-D375 PolarHBondContact O-N 3.11Å
374	I	32.3	Very low	36.6	Very low	111 Å²	111	118.8 Å²	118.8	57%	0.569	65%	0.652	S	S	*	*			trans	-68.3	114.4	158	-61.9	174.1	0	0	0	106.5	L372 N376	L372-I374 VanDerWaalsContact C-N 3.35Å; L372-I374 PolarHBondContact O-N 3.33Å; I374-N376 PolarHBondContact O-N 2.85Å
375	D	29.8	Very low	35.8	Very low	140 Å²	140	120.4 Å²	120.4	75%	0.749	67%	0.667	S	S	*	*			trans	-66.5	74.5	178.9	-70	-40	0	0	0	111.7	C373 T377	C373-D375 PolarHBondContact O-N 3.11Å; D375-T377 PolarHBondContact O-N 3.38Å
376	N	28.2	Very low	35.2	Very low	122 Å²	122	120.5 Å²	120.5	65%	0.652	68%	0.677	S	S	*	*			trans	-75	55.7	169.8	-77.7	-41.4	0	0	0	110.6	I374 T378	I374-N376 PolarHBondContact O-N 2.85Å; N376-T378 PolarHBondContact O-N 3.29Å
377	T	29.1	Very low	34.6	Very low	112 Å²	112	126.5 Å²	126.5	69%	0.687	70%	0.695	S	S	*	*			trans	-70.9	79.6	161.2	55.8	0	0	0	0	108.2	D375 N379	D375-T377 PolarHBondContact O-N 3.38Å; T377-N379 PolarHBondContact O-N 3.48Å
378	T	30	Very low	33.9	Very low	114 Å²	114	125.5 Å²	125.5	70%	0.699	70%	0.701	S	S	*	*			trans	-60.3	106.8	165.4	43.8	0	0	0	0	107.8	N376 E380	N376-T378 PolarHBondContact O-N 3.29Å; T378-E380 PolarHBondContact O-N 3.17Å
379	N	29.8	Very low	33.5	Very low	148 Å²	148	130.8 Å²	130.8	79%	0.791	72%	0.722	S	S	*	*			trans	-62.1	103.8	168.2	-75.6	-38.5	0	0	0	107.9	T377 I381	T377-N379 PolarHBondContact O-N 3.48Å; N379-I381 PolarHBondContact O-N 3.43Å; N379-I381 VanDerWaalsContact O-N 3.12Å
380	E	28.3	Very low	32.9	Very low	173 Å²	173	128.7 Å²	128.7	81%	0.808	72%	0.721	S	S	*	*			trans	-65.8	109.8	171.9	-64.1	-173.5	138.6	0	0	108	T378 D382	T378-E380 PolarHBondContact O-N 3.17Å; E380-D382 PolarHBondContact O-N 2.85Å
381	I	36.2	Very low	32.4	Very low	139 Å²	139	132.6 Å²	132.6	71%	0.713	74%	0.736	S	S	*	*			trans	-91	92.3	170.9	-60.2	-179.4	0	0	0	106.6	N379 T383	N379-I381 PolarHBondContact O-N 3.43Å; N379-I381 VanDerWaalsContact O-N 3.12Å; I381-T383 PolarHBondContact O-N 2.88Å; I381-T383 PolarHBondContact O-OG1 3.45Å; I381-T383 VanDerWaalsContact O-OG1 3.09Å
382	D	28.5	Very low	32	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	75%	0.748	S	S	*	*			trans	-50.6	113.2	168.6	-77.4	-41.9	0	0	0	109.8	E380	E380-D382 PolarHBondContact O-N 2.85Å
383	T	31.9	Very low	31.7	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.724	75%	0.753	S	S	*	*			trans	-142.5	100.7	169.8	9.7	0	0	0	0	109.3	I381 S385	I381-T383 PolarHBondContact O-N 2.88Å; I381-T383 PolarHBondContact O-OG1 3.45Å; I381-T383 VanDerWaalsContact O-OG1 3.09Å; T383-S385 PolarHBondContact O-N 2.99Å
384	D	33.3	Very low	31.5	Very low	166 Å²	166	138.2 Å²	138.2	89%	0.888	75%	0.749	S	S	*	*			trans	-55.5	127.4	-177.3	-89.5	-50.6	0	0	0	112.4	S386	D384-S386 PolarHBondContact O-N 3.33Å
385	S	30.7	Very low	31.6	Very low	122 Å²	122	140.8 Å²	140.8	85%	0.853	76%	0.759	S	S	*	*			trans	-78.9	101.3	175.9	-67.1	0	0	0	0	110.7	T383	T383-S385 PolarHBondContact O-N 2.99Å
386	S	35	Very low	31.8	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	76%	0.756	S	S	*	*			trans	-117.9	93.2	163.6	46.9	0	0	0	0	110.3	D384	D384-S386 PolarHBondContact O-N 3.33Å
387	E	32.5	Very low	32.1	Very low	186 Å²	186	141.9 Å²	141.9	87%	0.869	76%	0.764	S	S	*	*			trans	-62	137.7	167	-58.4	-175.2	127	0	0	110.1
388	I	33.3	Very low	32.2	Very low	155 Å²	155	142.1 Å²	142.1	80%	0.795	77%	0.77	S	S	*	*			trans	-164.6	113.3	140.3	-103.6	150.7	0	0	0	111
389	L	33.2	Very low	32.6	Very low	149 Å²	149	142.7 Å²	142.7	78%	0.78	78%	0.776	S	S	*	*			trans	40.6	96	147.2	-64.5	157.6	0	0	0	119.4
390	S	28.8	Very low	32.7	Very low	89 Å²	89	140.6 Å²	140.6	62%	0.622	77%	0.773	S	S	*	*				19.6	125.4	125.3	61.1	0	0	0	0	119.5
391	N	33.9	Very low	32.9	Very low	161 Å²	161	137.1 Å²	137.1	86%	0.861	77%	0.767	S	S	*	*				-168	160.1	105.6	-101.2	-49	0	0	0	114.3
392	K	31.9	Very low	32.9	Very low	187 Å²	187	138.6 Å²	138.6	81%	0.813	77%	0.771	S	S	*	*			trans	-74.6	141.9	175.4	-59.8	172.6	176.9	177.8	0	111.3
393	H	34	Very low	33	Very low	163 Å²	163	136.5 Å²	136.5	76%	0.755	76%	0.764	S	S	*	*				-164.5	139.6	102.5	-123.8	-96.7	0	0	0	114
394	T	31.8	Very low	33	Very low	80 Å²	80	135.5 Å²	135.5	49%	0.491	77%	0.768	S	S	.	*			trans	11.5	139.8	149.6	57.6	0	0	0	0	122.4
395	E	32.9	Very low	32.9	Very low	165 Å²	165	132.2 Å²	132.2	77%	0.771	76%	0.758	S	S	*	*			trans	69.5	143.8	133.2	-68.8	148.7	-140.1	0	0	117.8
396	D	34.1	Very low	33.2	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	75%	0.751	S	S	*	*			cis	-156.8	171.2	5.6	-144	-13.4	0	0	0	113.9
397	L	36	Very low	33.2	Very low	155 Å²	155	132.7 Å²	132.7	81%	0.812	75%	0.749	S	S	*	*			trans	67.9	133.7	155.9	-64.2	174.2	0	0	0	122.3
398	S	30.9	Very low	33.3	Very low	116 Å²	116	130.7 Å²	130.7	81%	0.811	74%	0.74	S	S	*	*			trans	-79.4	171.6	-171.8	-46.5	0	0	0	0	115.8
399	P	37.5	Very low	33.6	Very low	127 Å²	127	130.7 Å²	130.7	83%	0.825	73%	0.734	S	S	*	*			trans	-104.2	166	-171.9	40.3	-34.8	0	0	0	115.1
400	S	31.7	Very low	33.8	Very low	104 Å²	104	129 Å²	129	73%	0.727	73%	0.729	S	S	*	*			trans	-165.4	145.3	156.3	57.3	0	0	0	0	112.8
401	S	33.5	Very low	34.2	Very low	99 Å²	99	130.4 Å²	130.4	69%	0.692	73%	0.73	S	S	*	*			trans	61.1	145.6	153.5	57.5	0	0	0	0	119.2
402	E	35.3	Very low	34.3	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	72%	0.723	S	S	*	*			cis	-164	162.8	-4	-121	-177.4	-133.4	0	0	112.9
403	T	31.8	Very low	34.4	Very low	111 Å²	111	126.9 Å²	126.9	68%	0.681	72%	0.72	S	S	*	*			trans	51.7	102.5	139.7	-51.2	0	0	0	0	121.7
404	A	31.6	Very low	34.3	Very low	98 Å²	98	124 Å²	124	81%	0.81	72%	0.719	S	S	*	*			trans	64.1	158.4	142.8	0	0	0	0	0	119
405	S	31.2	Very low	34	Very low	97 Å²	97	127.5 Å²	127.5	68%	0.678	73%	0.734	S	S	*	*			cis	-156.5	176.9	6.1	68	0	0	0	0	110.2
406	S	35.8	Very low	34	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	73%	0.734	S	S	*	*			trans	72.6	147.2	154	-56.3	0	0	0	0	118.2
407	I	35.3	Very low	33.8	Very low	142 Å²	142	126 Å²	126	73%	0.728	74%	0.739	S	S	*	*			cis	-164.3	146.4	-28.6	-134	160	0	0	0	108.1
408	E	35.6	Very low	33.9	Very low	144 Å²	144	124.6 Å²	124.6	67%	0.673	74%	0.742	S	S	*	*			trans	64.3	156.1	169.1	-71.6	-168.5	146.9	0	0	117.6
409	K	38.3	Very low	34	Very low	155 Å²	155	130.1 Å²	130.1	67%	0.674	75%	0.745	S	S	*	*			cis	-159.1	160.6	3.2	-127.6	165.4	-175.2	139.9	0	112.5
410	V	37.8	Very low	34.5	Very low	113 Å²	113	129.6 Å²	129.6	69%	0.685	74%	0.742	S	S	*	*			trans	74.2	111.7	151.7	172.8	0	0	0	0	119.5
411	D	36.9	Very low	34.7	Very low	119 Å²	119	130.4 Å²	130.4	64%	0.636	75%	0.745	S	S	*	*			trans	55	147.9	134.8	-62.9	19.1	0	0	0	122
412	K	36.9	Very low	34.8	Very low	166 Å²	166	132.2 Å²	132.2	72%	0.722	75%	0.751	S	S	*	*			cis	-160.3	154.6	6.7	-128.4	175.5	-167.4	88.2	0	110.6
413	S	34.2	Very low	35.3	Very low	107 Å²	107	129.8 Å²	129.8	75%	0.748	75%	0.75	S	S	*	*			trans	57.3	147.8	158.4	47.8	0	0	0	0	120.1
414	S	30.4	Very low	35.2	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	76%	0.758	S	S	*	*			cis	-175.2	125.3	-24.9	47.4	0	0	0	0	108.6
415	N	27.2	Very low	35.6	Very low	153 Å²	153	132.4 Å²	132.4	82%	0.818	76%	0.755	S	S	*	*			trans	-162.6	149.9	164.3	-119	-22.6	0	0	0	115.1
416	I	32.4	Very low	35.9	Very low	151 Å²	151	135.3 Å²	135.3	77%	0.774	76%	0.761	S	S	*	*			trans	47.4	112	154.7	-54.8	161.1	0	0	0	118.8
417	S	30.4	Very low	35.9	Very low	114 Å²	114	139.7 Å²	139.7	80%	0.797	77%	0.771	S	S	*	*			trans	-167.2	131.9	132	-174.7	0	0	0	0	111.3
418	S	37.2	Very low	35.8	Very low	125 Å²	125	144.1 Å²	144.1	87%	0.874	78%	0.778	S	S	*	*			trans	-148.6	120.1	158.4	64	0	0	0	0	111.2
419	R	34	Very low	36	Very low	233 Å²	233	142.8 Å²	142.8	88%	0.879	78%	0.782	S	S	*	*			trans	-147.1	118.6	172.5	179.5	-172.9	179.6	-161.7	2.5	108.1
420	P	46.4	Very low	35.8	Very low	116 Å²	116	139.7 Å²	139.7	75%	0.753	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-77.4	149.9	174.7	30.9	-33.1	0	0	0	111.7
421	P	37.5	Very low	35.7	Very low	121 Å²	121	144.9 Å²	144.9	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-97.3	164	-176.7	37.9	-35.6	0	0	0	114.1
422	V	35.4	Very low	35.6	Very low	136 Å²	136	144.3 Å²	144.3	82%	0.824	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-99.9	129.1	171.2	179.7	0	0	0	0	110.1
423	P	44.2	Very low	35.5	Very low	120 Å²	120	147.3 Å²	147.3	78%	0.779	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-91.5	137.4	166.9	32.6	-26.9	0	0	0	111.2
424	N	31.8	Very low	35.6	Very low	161 Å²	161	147.8 Å²	147.8	86%	0.861	79%	0.794	S	S	*	*			trans	-130.9	115.8	-175	-154.6	1.9	0	0	0	109.7
425	S	38.7	Very low	35.9	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	80%	0.799	S	S	*	*			trans	-158.7	99.7	175.4	60.7	0	0	0	0	115.2
426	L	37	Very low	36	Very low	157 Å²	157	146.8 Å²	146.8	82%	0.822	79%	0.792	S	S	*	*				49.4	101.9	126.2	-59.8	171.2	0	0	0	119.9
427	Q	36.8	Very low	36	Very low	194 Å²	194	145.7 Å²	145.7	91%	0.907	80%	0.796	S	S	*	*				171.4	144.5	101.2	-95.5	168.3	-27.8	0	0	114.2
428	R	33.9	Very low	36.1	Very low	234 Å²	234	147.4 Å²	147.4	88%	0.883	79%	0.791	S	S	*	*			trans	-108.1	147.8	164.8	-86.5	-176.6	174.5	173.7	-0.9	108.8
429	P	37.8	Very low	35.8	Very low	117 Å²	117	147.2 Å²	147.2	76%	0.76	79%	0.785	S	S	*	*				-137	139.3	91.2	21.4	-1	0	0	0	112.1
430	S	35.9	Very low	35.8	Very low	90 Å²	90	142.3 Å²	142.3	63%	0.629	78%	0.776	S	S	*	*				75.3	111.7	54.5	81.4	0	0	0	0	115.9
431	R	34.4	Very low	35.3	Very low	221 Å²	221	142.6 Å²	142.6	83%	0.834	77%	0.77	S	S	*	*			trans	72.1	152.1	164.4	-59.3	179.9	80.6	130.7	7	115.7
432	D	35.9	Very low	35.2	Very low	108 Å²	108	144.2 Å²	144.2	58%	0.578	77%	0.772	S	S	*	*			cis	-147.8	161	4.7	-117.6	-41	0	0	0	111.1
433	R	34.6	Very low	35.2	Very low	229 Å²	229	144 Å²	144	86%	0.864	77%	0.766	S	S	*	*			trans	42.4	131	153	-63.6	179.7	173	-157.2	-5	123.2
434	S	35	Very low	34.8	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	77%	0.77	S	S	*	*			trans	-63.9	163.3	156.7	-39.5	0	0	0	0	113.3
435	P	37.1	Very low	34.8	Very low	126 Å²	126	149.7 Å²	149.7	82%	0.818	77%	0.772	S	S	*	*				-142.5	169.8	114.9	39.2	-27.4	0	0	0	115.5
436	V	28.8	Very low	34.7	Very low	110 Å²	110	154.7 Å²	154.7	67%	0.667	78%	0.781	S	S	*	*			trans	-85.9	149	174.7	176.3	0	0	0	0	111.1
437	C	33.2	Very low	34.5	Very low	128 Å²	128	156.5 Å²	156.5	87%	0.865	78%	0.782	S	S	*	*			trans	-136	154.5	161.8	-93.8	0	0	0	0	110.8
438	H	32.5	Very low	34.3	Very low	150 Å²	150	155.3 Å²	155.3	69%	0.694	78%	0.782	S	S	*	*			trans	-122.9	150.3	-160.4	-65.2	-97.2	0	0	0	114.3
439	T	31.8	Very low	34.2	Very low	120 Å²	120	149.9 Å²	149.9	74%	0.736	78%	0.78	S	S	*	*			trans	55.8	136.1	145	54.6	0	0	0	0	119.5
440	N	32.5	Very low	34.3	Very low	131 Å²	131	149.1 Å²	149.1	70%	0.701	78%	0.784	S	S	*	*				-167.8	143.5	71.4	-114.1	-22.4	0	0	0	115.3
441	I	36.6	Very low	34.4	Very low	122 Å²	122	152 Å²	152	63%	0.626	79%	0.792	S	S	*	*			trans	47.4	112.8	136.2	-61.2	165.7	0	0	0	118.4
442	N	35.3	Very low	34.4	Very low	155 Å²	155	148.7 Å²	148.7	83%	0.829	79%	0.79	S	S	*	*				-153.5	153.8	95	-130.7	-31.3	0	0	0	114
443	N	34.4	Very low	34.4	Very low	131 Å²	131	149.9 Å²	149.9	70%	0.701	81%	0.807	S	S	*	*			trans	-98.7	146.6	-171.7	-69.5	-56.6	0	0	0	112.7
444	N	37.6	Very low	34.3	Very low	160 Å²	160	143.7 Å²	143.7	86%	0.856	80%	0.795	S	S	*	*			trans	-168.8	74.6	132.2	-98.3	-30.5	0	0	0	115.4
445	R	30.8	Very low	34.5	Very low	241 Å²	241	147.6 Å²	147.6	91%	0.909	80%	0.797	S	S	*	*				34.3	97.9	128.6	-166.3	-171.6	-154.4	168.7	6.8	118.6
446	K	35.9	Very low	34.6	Very low	209 Å²	209	149.7 Å²	149.7	91%	0.909	80%	0.8	S	S	*	*			trans	-150.3	150.5	130.6	-110.8	173.2	-176.1	-177.5	0	109.7
447	K	34.5	Very low	35.2	Very low	195 Å²	195	150.3 Å²	150.3	85%	0.848	81%	0.807	S	S	*	*			trans	-83.1	151.5	179.8	-62.6	-179.2	176.9	-175.4	0	110.2
448	N	32.3	Very low	35.4	Very low	168 Å²	168	154.6 Å²	154.6	90%	0.898	81%	0.806	S	S	*	*				-167.8	157.8	119.3	-92.3	0.6	0	0	0	109.2
449	S	32.2	Very low	35.4	Very low	120 Å²	120	155.6 Å²	155.6	84%	0.839	81%	0.811	S	S	*	*			trans	-120	130.7	-179	47.3	0	0	0	0	109.9
450	A	38.6	Very low	35.8	Very low	102 Å²	102	152.9 Å²	152.9	84%	0.843	81%	0.808	S	S	*	*			trans	-156.7	145.8	167.1	0	0	0	0	0	108.6
451	D	39	Very low	35.9	Very low	151 Å²	151	153.7 Å²	153.7	81%	0.807	81%	0.812	S	S	*	*			trans	-85.9	173.8	179.1	-73.9	-72.8	0	0	0	113
452	L	34.2	Very low	36.2	Very low	151 Å²	151	156.9 Å²	156.9	79%	0.791	82%	0.824	S	S	*	*			trans	35.3	119.3	157.8	-96.8	62.9	0	0	0	119.5
453	S	35	Very low	36.1	Very low	133 Å²	133	154 Å²	154	93%	0.93	82%	0.822	S	S	*	*			trans	-112.2	107.9	155.4	-64.9	0	0	0	0	110.6
454	T	34	Very low	36.3	Very low	99 Å²	99	157.6 Å²	157.6	61%	0.607	83%	0.832	S	S	*	*			trans	-108.9	157.7	164.1	-48.4	0	0	0	0	108.7
455	F	37.6	Very low	36.4	Very low	197 Å²	197	155.1 Å²	155.1	86%	0.864	83%	0.827	S	S	*	*			trans	70.8	92.6	179.7	-55.1	-73.2	0	0	0	116.5
456	L	40.7	Very low	36.7	Very low	170 Å²	170	150 Å²	150	89%	0.89	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.7	133.6	150.9	-66.8	172.8	0	0	0	108.9
457	P	40.8	Very low	37	Very low	123 Å²	123	148.6 Å²	148.6	80%	0.799	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67.9	145.6	163.9	-17.3	31.9	0	0	0	111.3
458	Y	37.6	Very low	37.4	Very low	219 Å²	219	146.5 Å²	146.5	86%	0.859	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-81.4	126.3	-178.5	172	-97.1	0	0	0	112.2	G460	Y458-G460 PolarHBondContact O-N 3.39Å
459	E	32.7	Very low	37.8	Very low	170 Å²	170	146.7 Å²	146.7	79%	0.794	81%	0.814	S	S	*	*			trans	-78.7	100.7	175	-74.2	-170.4	116.1	0	0	112.1	N461	E459-N461 PolarHBondContact O-N 2.91Å
460	G	39.3	Very low	38.3	Very low	64 Å²	64	146.8 Å²	146.8	66%	0.66	81%	0.809	S	S	*	*			trans	-93	81	173.6	0	0	0	0	0	113.4	Y458 Q462	Y458-G460 PolarHBondContact O-N 3.39Å; G460-Q462 PolarHBondContact O-N 3.36Å
461	N	35.4	Very low	38.6	Very low	147 Å²	147	150.5 Å²	150.5	79%	0.786	81%	0.809	S	S	*	*			trans	-72.2	112.5	176.1	-84.9	-62.9	0	0	0	112.5	E459	E459-N461 PolarHBondContact O-N 2.91Å
462	Q	41.5	Very low	38.4	Very low	189 Å²	189	149.7 Å²	149.7	88%	0.883	81%	0.81	S	S	*	*			trans	-133.3	131.1	152.5	-69.9	-163.4	13.6	0	0	110.1	G460	G460-Q462 PolarHBondContact O-N 3.36Å
463	A	33.9	Very low	39.1	Very low	96 Å²	96	148 Å²	148	79%	0.793	81%	0.807	S	S	*	*			trans	-106	135.1	-173.6	0	0	0	0	0	111.4
464	F	38.9	Very low	39.7	Very low	205 Å²	205	150.2 Å²	150.2	90%	0.899	80%	0.803	S	S	*	*			trans	-132	149.7	164.2	-102.6	-84.6	0	0	0	112.5
465	S	40.1	Very low	40.2	Very low	109 Å²	109	151.8 Å²	151.8	76%	0.762	81%	0.813	S	S	*	*			trans	-43.9	135.4	-161.2	-170.3	0	0	0	0	117.6	K467	S465-K467 PolarHBondContact O-N 3.09Å
466	V	36.9	Very low	40.9	Very low	134 Å²	134	148.6 Å²	148.6	81%	0.812	81%	0.809	S	S	*	*			trans	-68.1	124.7	161.6	176.4	0	0	0	0	110.3
467	K	41.6	Very low	41.6	Very low	178 Å²	178	149.2 Å²	149.2	77%	0.774	81%	0.805	S	S	*	*			trans	175.5	96.6	148.1	-99.5	159.6	-173.5	176.9	0	110.8	S465	S465-K467 PolarHBondContact O-N 3.09Å
468	D	43.3	Very low	42.1	Very low	151 Å²	151	149.3 Å²	149.3	81%	0.807	81%	0.806	S	S	*	*				174.5	155.9	105.9	-84.2	-14	0	0	0	110
469	I	40.3	Very low	43.1	Very low	173 Å²	173	148.6 Å²	148.6	89%	0.887	81%	0.807	S	S	*	*			trans	-121.2	92.8	-168.2	-55.3	173.5	0	0	0	109.6
470	V	43.8	Very low	44	Very low	122 Å²	122	152 Å²	152	74%	0.739	81%	0.812	S	S	*	*			trans	-142.8	132.1	171.4	-173.5	0	0	0	0	110.6
471	E	44.3	Very low	44.9	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	82%	0.819	S	S	*	*			trans	49	106.5	161.7	-67.8	175.7	161.2	0	0	120.8
472	T	34	Very low	46.1	Very low	135 Å²	135	152.6 Å²	152.6	83%	0.828	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69.9	123.1	163	-46.1	0	0	0	0	111.2
473	P	48.7	Very low	46.6	Very low	114 Å²	114	148.7 Å²	148.7	74%	0.74	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.6	132.3	167.8	29.9	-32.8	0	0	0	110.4
474	E	48.4	Very low	47.7	Very low	181 Å²	181	152.3 Å²	152.3	85%	0.846	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-65.9	142.4	-178.3	-73.4	-152.2	150.1	0	0	113.2	T476	E474-T476 VanDerWaalsContact C-N 3.33Å; E474-T476 PolarHBondContact O-N 3.1Å
475	T	43.3	Very low	48.3	Very low	131 Å²	131	151.9 Å²	151.9	80%	0.804	82%	0.815	S	S	*	*			trans	-71.6	85.1	175.4	50.4	0	0	0	0	111.1	K477	T475-K477 PolarHBondContact O-N 3.33Å
476	T	52.9	Low	48.9	Very low	130 Å²	130	150.4 Å²	150.4	80%	0.798	80%	0.804	S	S	*	*			trans	-65	93.6	175.5	41.9	0	0	0	0	110.8	E474	E474-T476 VanDerWaalsContact C-N 3.33Å; E474-T476 PolarHBondContact O-N 3.1Å
477	K	55.4	Low	49.5	Very low	183 Å²	183	152.1 Å²	152.1	80%	0.796	81%	0.809	S	S	*	*			trans	-53.8	132.5	176.9	-64.7	178.8	-177.5	175.5	0	109.9	T475 K479	T475-K477 PolarHBondContact O-N 3.33Å; K477-K479 PolarHBondContact O-N 3.46Å
478	P	52.5	Low	49.8	Very low	126 Å²	126	153.4 Å²	153.4	82%	0.818	81%	0.809	S	S	*	*			trans	-59.3	114.8	-175.5	22.2	-32.9	0	0	0	110.6	R480	P478-R480 PolarHBondContact O-N 3.42Å; P478-R480 VanDerWaalsContact O-N 3.14Å
479	K	58.5	Low	50	Low	204 Å²	204	150.6 Å²	150.6	89%	0.887	80%	0.801	S	S	*	*			trans	-72.1	107.2	-176.4	-170.8	175.5	-175.6	177.1	0	108.6	K477 S481	K477-K479 PolarHBondContact O-N 3.46Å; K479-S481 PolarHBondContact O-N 2.67Å; K479-S481 VanDerWaalsContact O-N 3.14Å
480	R	51	Low	50.3	Low	240 Å²	240	151.2 Å²	151.2	91%	0.906	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-47.1	121.2	179.2	-64.5	178.7	75.8	174.2	5.6	109.8	P478 S482	P478-R480 PolarHBondContact O-N 3.42Å; P478-R480 VanDerWaalsContact O-N 3.14Å; R480-S482 PolarHBondContact O-N 3.06Å
481	S	58.9	Low	50.7	Low	113 Å²	113	149.2 Å²	149.2	79%	0.79	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-60.2	127.3	177.3	38.5	0	0	0	0	109.8	K479 S483	K479-S481 PolarHBondContact O-N 2.67Å; K479-S481 VanDerWaalsContact O-N 3.14Å; S481-S483 PolarHBondContact O-N 3.48Å
482	S	60.2	Low	50.8	Low	112 Å²	112	148.7 Å²	148.7	78%	0.783	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.2	119.5	172.3	54.1	0	0	0	0	108.6	R480 L484	R480-S482 PolarHBondContact O-N 3.06Å; S482-L484 PolarHBondContact O-N 3.02Å
483	S	52.4	Low	51.8	Low	106 Å²	106	147.6 Å²	147.6	74%	0.741	79%	0.793	S	S	*	*			trans	-45.9	127.9	179.1	56	0	0	0	0	111.5	S481 K485	S481-S483 PolarHBondContact O-N 3.48Å; S483-K485 PolarHBondContact O-N 3.23Å
484	L	55.8	Low	52.3	Low	172 Å²	172	153.1 Å²	153.1	90%	0.901	80%	0.801	S	S	*	*			trans	-52.6	127	173	-76	169.9	0	0	0	109.3	S482 S486	S482-L484 PolarHBondContact O-N 3.02Å; L484-S486 PolarHBondContact O-N 3.13Å
485	K	52.9	Low	52.9	Low	196 Å²	196	150.8 Å²	150.8	85%	0.852	80%	0.799	S	S	*	*			trans	-66.7	105	178.5	-69.4	175.2	-179.2	173.1	0	108.1	S483 N487	S483-K485 PolarHBondContact O-N 3.23Å; K485-N487 PolarHBondContact O-N 3.26Å
486	S	52.6	Low	54.2	Low	78 Å²	78	149.9 Å²	149.9	55%	0.545	80%	0.795	S	S	.	*			trans	-50.9	126.5	168.5	59	0	0	0	0	109	L484 R488	L484-S486 PolarHBondContact O-N 3.13Å; S486-R488 PolarHBondContact O-N 3.49Å
487	N	48.2	Very low	55.1	Low	171 Å²	171	154 Å²	154	91%	0.914	80%	0.802	S	S	*	*			trans	-67	79.8	174.3	-88.5	-18.4	0	0	0	110.1	K485 S489	K485-N487 PolarHBondContact O-N 3.26Å; N487-S489 PolarHBondContact O-N 2.89Å
488	R	49.1	Very low	55.8	Low	205 Å²	205	149.8 Å²	149.8	77%	0.774	80%	0.801	S	S	*	*			trans	-74.1	95.2	170.3	-67.4	-172.4	-176	-141.9	-0.2	108.1	S486 L490	S486-R488 PolarHBondContact O-N 3.49Å; R488-L490 PolarHBondContact O-N 3.43Å
489	S	46.7	Very low	56.7	Low	92 Å²	92	150.1 Å²	150.1	64%	0.643	80%	0.801	S	S	*	*			trans	-44	129.9	155.5	172.7	0	0	0	0	108.9	N487 S491	N487-S489 PolarHBondContact O-N 2.89Å; S489-S491 PolarHBondContact O-N 3.47Å; S489-S491 PolarHBondContact OG-OG 3.16Å; S489-S491 VanDerWaalsContact OG-OG 3.06Å
490	L	46.9	Very low	57.3	Low	185 Å²	185	147.4 Å²	147.4	97%	0.969	79%	0.785	S	S	*	*	S	Bend	trans	-79.3	68.8	177.7	-64.8	176.2	0	0	0	109.7	R488	R488-L490 PolarHBondContact O-N 3.43Å
491	S	51.4	Low	58	Low	80 Å²	80	142.2 Å²	142.2	56%	0.559	77%	0.769	S	S	*	*			trans	-127.9	110.7	178.5	47.7	0	0	0	0	108.8	S489 T493	S489-S491 PolarHBondContact O-N 3.47Å; S489-S491 PolarHBondContact OG-OG 3.16Å; S489-S491 VanDerWaalsContact OG-OG 3.06Å; S491-T493 PolarHBondContact O-N 3.37Å
492	D	46.2	Very low	58.2	Low	169 Å²	169	142 Å²	142	90%	0.904	77%	0.774	S	S	*	*			trans	-85.3	89	-164.3	-169.7	15.1	0	0	0	112.3
493	T	56.7	Low	58.6	Low	111 Å²	111	139.3 Å²	139.3	68%	0.681	75%	0.751	S	S	*	*	S	Bend	trans	-158.3	136	167.1	-22	0	0	0	0	112.3	S491 V495	S491-T493 PolarHBondContact O-N 3.37Å; T493-V495 PolarHBondContact O-N 3.25Å
494	Y	58.6	Low	59.1	Low	231 Å²	231	139.2 Å²	139.2	91%	0.906	76%	0.757	S	S	*	*			trans	-10	90.2	171.3	-73.7	-96.7	0	0	0	117.6
495	V	61	Low	59.7	Low	132 Å²	132	137.7 Å²	137.7	80%	0.8	75%	0.749	S	S	*	*			trans	-85.6	120.8	164.7	-176.5	0	0	0	0	108.8	T493	T493-V495 PolarHBondContact O-N 3.25Å
496	P	70.2	Confident	60.4	Low	112 Å²	112	129.2 Å²	129.2	73%	0.727	72%	0.717	S	S	*	*			trans	-66.7	152.2	177.7	27.8	-34.3	0	0	0	111.7	A498	P496-A498 PolarHBondContact O-N 2.84Å; P496-A498 VanDerWaalsContact O-N 3.1Å
497	K	71	Confident	61.2	Low	216 Å²	216	130.4 Å²	130.4	94%	0.939	72%	0.716	S	S	*	*			trans	-69.5	104.9	175.5	-66.9	179.4	-179.1	177.3	0	109.8
498	A	71.6	Confident	62.1	Low	94 Å²	94	127.3 Å²	127.3	78%	0.777	70%	0.7	S	S	*	*			trans	-87.4	137.5	169.3	0	0	0	0	0	110.8	P496	P496-A498 PolarHBondContact O-N 2.84Å; P496-A498 VanDerWaalsContact O-N 3.1Å
499	V	71.8	Confident	62.8	Low	134 Å²	134	123.9 Å²	123.9	81%	0.812	70%	0.696	S	S	*	*			trans	-98.3	138	168	-179.6	0	0	0	0	107.7
500	R	69.6	Low	63.8	Low	146 Å²	146	123.4 Å²	123.4	55%	0.551	70%	0.698	S	S	*	*			trans	-131.2	156.4	167.5	-55.3	-165.5	90.5	-170.2	1.4	108.5	G506 D508	R500-G506 PolarHBondContact NE-O 3.48Å; R500-G506 PolarHBondContact NH1-O 3.45Å; R500-G506 PolarHBondContact NH2-O 2.9Å; R500-G506 VanDerWaalsContact NH2-O 3.13Å; R500-D508 IonicContact CZ-OD1 3.95Å; R500-D508 IonicContact NE-OD1 3.9Å; R500-D508 IonicContact NH2-OD1 3.12Å; R500-D508 PolarHBondContact NH2-OD1 3.25Å; R500-D508 VanDerWaalsContact NH2-OD1 3.12Å; R500-D508 IonicContact NH2-OD2 3.84Å
501	F	67.3	Low	64.7	Low	131 Å²	131	121.1 Å²	121.1	58%	0.575	69%	0.692	S	S	*	*			trans	-77.1	172.6	-179.5	-66	-77.2	0	0	0	111.9	L509	F501-L509 HydrophobicContact CB-CB 4.48Å; F501-L509 HydrophobicContact CB-CD1 4.14Å; F501-L509 HydrophobicContact CD1-CD2 4.49Å; F501-L509 HydrophobicContact CD2-CB 3.96Å; F501-L509 HydrophobicContact CE2-CB 4.49Å; F501-L509 HydrophobicContact CG-CB 4.23Å; F501-L509 HydrophobicContact CG-CD1 4.47Å; F501-L509 HydrophobicContact CG-CD2 4.49Å
502	A	61.3	Low	65.5	Low	109 Å²	109	124.8 Å²	124.8	90%	0.901	70%	0.7	S	S	*	*			trans	-99.9	27.7	-161.9	0	0	0	0	0	114.5
503	D	69.5	Low	66.4	Low	56 Å²	56	127.3 Å²	127.3	30%	0.299	70%	0.697	S	S	.	*	S	Bend	trans	-71.1	164.2	170.1	76.7	-66.5	0	0	0	110.9	L505 G506 L507	D503-L505 PolarHBondContact O-N 3.04Å; D503-L505 WeakPolarHBondContact OD2-CA 3.27Å; D503-L505 WeakPolarHBondContact OD2-CB 3.32Å; D503-L505 PolarHBondContact OD2-N 2.9Å; D503-G506 VanDerWaalsContact CG-N 3.31Å; D503-G506 PolarHBondContact O-N 2.99Å; D503-G506 WeakPolarHBondContact OD1-CA 3.29Å; D503-G506 PolarHBondContact OD1-N 3.13Å; D503-G506 VanDerWaalsContact OD1-N 3.1Å; D503-G506 PolarHBondContact OD2-N 3.41Å; D503-L507 VanDerWaalsContact CG-N 3.34Å; D503-L507 PolarHBondContact OD1-N 3.45Å; D503-L507 PolarHBondContact OD2-N 2.96Å; D503-L507 VanDerWaalsContact OD2-N 3.12Å
504	A	63.4	Low	66.9	Low	104 Å²	104	127 Å²	127	86%	0.86	69%	0.688	S	S	*	*	S	Bend	trans	-70.3	-12.9	-174.8	0	0	0	0	0	114.5
505	L	68.8	Low	67.2	Low	140 Å²	140	120 Å²	120	73%	0.733	67%	0.668	S	S	*	*	S	Bend	trans	-112.5	-12	-176.4	-57.7	177.3	0	0	0	112.4	D503 L507	D503-L505 PolarHBondContact O-N 3.04Å; D503-L505 WeakPolarHBondContact OD2-CA 3.27Å; D503-L505 WeakPolarHBondContact OD2-CB 3.32Å; D503-L505 PolarHBondContact OD2-N 2.9Å; L505-L507 HydrophobicContact CB-CD1 4.01Å; L505-L507 HydrophobicContact CB-CG 3.85Å; L505-L507 HydrophobicContact CD1-CD1 3.9Å
506	G	67.1	Low	67.4	Low	18 Å²	18	123.2 Å²	123.2	19%	0.186	67%	0.668	C	S	.	*			trans	66.4	38.7	-174.5	0	0	0	0	0	111.7	R500 D503	R500-G506 PolarHBondContact NE-O 3.48Å; R500-G506 PolarHBondContact NH1-O 3.45Å; R500-G506 PolarHBondContact NH2-O 2.9Å; R500-G506 VanDerWaalsContact NH2-O 3.13Å; D503-G506 VanDerWaalsContact CG-N 3.31Å; D503-G506 PolarHBondContact O-N 2.99Å; D503-G506 WeakPolarHBondContact OD1-CA 3.29Å; D503-G506 PolarHBondContact OD1-N 3.13Å; D503-G506 VanDerWaalsContact OD1-N 3.1Å; D503-G506 PolarHBondContact OD2-N 3.41Å
507	L	69.2	Low	67.4	Low	102 Å²	102	122 Å²	122	53%	0.534	66%	0.655	S	S	.	*			trans	-82.6	165	175.2	-64.6	173.5	0	0	0	110.6	D503 L505	D503-L507 VanDerWaalsContact CG-N 3.34Å; D503-L507 PolarHBondContact OD1-N 3.45Å; D503-L507 PolarHBondContact OD2-N 2.96Å; D503-L507 VanDerWaalsContact OD2-N 3.12Å; L505-L507 HydrophobicContact CB-CD1 4.01Å; L505-L507 HydrophobicContact CB-CG 3.85Å; L505-L507 HydrophobicContact CD1-CD1 3.9Å
508	D	67.7	Low	67.3	Low	107 Å²	107	116.3 Å²	116.3	57%	0.572	64%	0.642	S	S	*	*			trans	-78.2	133.6	176.4	-51.5	-43.5	0	0	0	108.3	R500 A510	R500-D508 IonicContact CZ-OD1 3.95Å; R500-D508 IonicContact NE-OD1 3.9Å; R500-D508 IonicContact NH2-OD1 3.12Å; R500-D508 PolarHBondContact NH2-OD1 3.25Å; R500-D508 VanDerWaalsContact NH2-OD1 3.12Å; R500-D508 IonicContact NH2-OD2 3.84Å; D508-A510 PolarHBondContact O-N 3.47Å
509	L	63.7	Low	67.3	Low	133 Å²	133	119.7 Å²	119.7	70%	0.696	64%	0.642	S	S	*	*	S	Bend	trans	-59.8	-25	-157.3	-165.2	70.8	0	0	0	114.6	F501	F501-L509 HydrophobicContact CB-CB 4.48Å; F501-L509 HydrophobicContact CB-CD1 4.14Å; F501-L509 HydrophobicContact CD1-CD2 4.49Å; F501-L509 HydrophobicContact CD2-CB 3.96Å; F501-L509 HydrophobicContact CE2-CB 4.49Å; F501-L509 HydrophobicContact CG-CB 4.23Å; F501-L509 HydrophobicContact CG-CD1 4.47Å; F501-L509 HydrophobicContact CG-CD2 4.49Å
510	A	66.7	Low	67.2	Low	82 Å²	82	116.1 Å²	116.1	68%	0.678	63%	0.627	S	S	*	*			trans	-144.2	136.4	167.5	0	0	0	0	0	109.5	D508 E512	D508-A510 PolarHBondContact O-N 3.47Å; A510-E512 PolarHBondContact O-N 2.85Å
511	T	66.1	Low	67.2	Low	136 Å²	136	113.5 Å²	113.5	83%	0.834	63%	0.629	S	S	*	*			trans	-86.8	85.2	165.2	53.8	0	0	0	0	108.9	R513	T511-R513 PolarHBondContact O-N 3.33Å
512	E	67.3	Low	67.3	Low	157 Å²	157	111.4 Å²	111.4	73%	0.734	63%	0.628	S	S	*	*			trans	-61.3	127.9	173.7	-171.4	178.7	-156.5	0	0	110	A510 H514	A510-E512 PolarHBondContact O-N 2.85Å; E512-H514 IonicContact OE1-CD2 3.84Å; E512-H514 IonicContact OE1-CE1 3.53Å; E512-H514 IonicContact OE1-NE2 3.8Å; E512-H514 PolarHBondContact OE1-NE2 3.19Å; E512-H514 IonicContact OE2-CE1 3.32Å; E512-H514 IonicContact OE2-NE2 2.61Å
513	R	66.5	Low	67.9	Low	223 Å²	223	116.1 Å²	116.1	84%	0.842	63%	0.628	S	S	*	*			trans	-137.5	94.4	177.2	-171.2	-178.2	-169	-179.5	3.7	109.3	T511 V515	T511-R513 PolarHBondContact O-N 3.33Å; R513-V515 PolarHBondContact O-N 2.74Å
514	H	66.4	Low	67.8	Low	105 Å²	105	118.3 Å²	118.3	49%	0.486	64%	0.639	S	S	.	*			trans	-59.5	125.7	174.3	-54.7	118	0	0	0	110.5	E512 Y516	E512-H514 IonicContact OE1-CD2 3.84Å; E512-H514 IonicContact OE1-CE1 3.53Å; E512-H514 IonicContact OE1-NE2 3.8Å; E512-H514 PolarHBondContact OE1-NE2 3.19Å; E512-H514 IonicContact OE2-CE1 3.32Å; E512-H514 IonicContact OE2-NE2 2.61Å; H514-Y516 HydrophobicContact CB-CD2 4.03Å; H514-Y516 HydrophobicContact CB-CE1 4.07Å; H514-Y516 HydrophobicContact CB-CE2 3.41Å; H514-Y516 VanDerWaalsContact CB-CE2 3.41Å; H514-Y516 VanDerWaalsContact CB-CZ 3.43Å; H514-Y516 AromaticContact CG-CZ 3.83Å; H514-Y516 PolarHBondContact ND1-OH 2.91Å
515	V	64.7	Low	68.4	Low	83 Å²	83	117.1 Å²	117.1	50%	0.503	62%	0.622	S	S	.	*			trans	-102.5	108.7	167.7	-176.9	0	0	0	0	106.9	R513 D517 P522	R513-V515 PolarHBondContact O-N 2.74Å; V515-D517 HydrophobicContact CG1-CB 4.46Å; V515-P522 HydrophobicContact CG2-CG 4.47Å
516	Y	65.8	Low	68.4	Low	199 Å²	199	114 Å²	114	78%	0.78	62%	0.617	S	S	*	*			trans	-97.8	2.6	178.4	-61.9	-67.7	0	0	0	113.1	H514	H514-Y516 HydrophobicContact CB-CD2 4.03Å; H514-Y516 HydrophobicContact CB-CE1 4.07Å; H514-Y516 HydrophobicContact CB-CE2 3.41Å; H514-Y516 VanDerWaalsContact CB-CE2 3.41Å; H514-Y516 VanDerWaalsContact CB-CZ 3.43Å; H514-Y516 AromaticContact CG-CZ 3.83Å; H514-Y516 PolarHBondContact ND1-OH 2.91Å
517	D	69.8	Low	68.8	Low	87 Å²	87	117 Å²	117	47%	0.465	64%	0.635	S	S	.	*			trans	-93.3	105.5	-177.7	-164.8	-27.8	0	0	0	109.9	V515 E519 A520	V515-D517 HydrophobicContact CG1-CB 4.46Å; D517-E519 VanDerWaalsContact C-N 3.32Å; D517-E519 PolarHBondContact OD1-N 3.33Å; D517-A520 PolarHBondContact OD1-N 3.04Å
518	S	68.2	Low	68.8	Low	96 Å²	96	114.9 Å²	114.9	67%	0.671	63%	0.632	S	S	*	*	S	Bend	trans	-72.9	-25.3	176.3	52.2	0	0	0	0	113.1
519	E	72.8	Confident	68.9	Low	165 Å²	165	113 Å²	113	77%	0.771	62%	0.621	S	S	*	*	S	Bend	trans	-89.9	-21.4	-172.9	-48.6	-53	113.8	0	0	111.9	D517	D517-E519 VanDerWaalsContact C-N 3.32Å; D517-E519 PolarHBondContact OD1-N 3.33Å
520	A	69.1	Low	68.9	Low	60 Å²	60	110.3 Å²	110.3	50%	0.496	61%	0.614	S	S	.	*	S	Bend	trans	-128.4	66.6	178.4	0	0	0	0	0	113.1	D517	D517-A520 PolarHBondContact OD1-N 3.04Å
521	P	68.8	Low	68.9	Low	91 Å²	91	114.1 Å²	114.1	59%	0.591	62%	0.617	S	S	*	*			trans	-58.3	148.3	175.4	24.8	-34.5	0	0	0	112.2	K523	P521-K523 PolarHBondContact O-N 3.08Å
522	P	70.8	Confident	68.8	Low	86 Å²	86	111.9 Å²	111.9	56%	0.558	60%	0.6	S	S	*	*			trans	-68.9	128	-173.7	29	-34	0	0	0	110.6	V515 I524	V515-P522 HydrophobicContact CG2-CG 4.47Å; P522-I524 PolarHBondContact O-N 2.84Å
523	K	72.4	Confident	68.3	Low	208 Å²	208	112.3 Å²	112.3	90%	0.904	60%	0.602	S	S	*	*			trans	-69.8	96.6	176.4	-66.1	-171.9	178.4	-173.7	0	110.5	P521	P521-K523 PolarHBondContact O-N 3.08Å
524	I	68.5	Low	68	Low	103 Å²	103	103.9 Å²	103.9	53%	0.528	57%	0.573	S	S	.	*			trans	-65	124.8	173.5	-60.8	174	0	0	0	108.5	P522 A528	P522-I524 PolarHBondContact O-N 2.84Å; I524-A528 HydrophobicContact CG2-CB 3.73Å
525	P	76.6	Confident	67.3	Low	78 Å²	78	105.9 Å²	105.9	51%	0.506	59%	0.587	S	S	.	*			trans	-71.8	146.3	176.9	30.3	-34.6	0	0	0	110.7	S527 A528	P525-S527 PolarHBondContact O-N 2.71Å; P525-A528 HydrophobicContact CG-CB 4.38Å; P525-A528 WeakPolarHBondContact O-CB 3.48Å; P525-A528 PolarHBondContact O-N 3.24Å
526	A	69.1	Low	66.7	Low	74 Å²	74	104.5 Å²	104.5	61%	0.612	58%	0.582	S	S	*	*	H	α-helix	trans	-56.8	-27.3	-177.9	0	0	0	0	0	113.8	A528 I529 S530	A526-A528 PolarHBondContact O-N 3.16Å; A526-I529 WeakPolarHBondContact O-CG1 3.33Å; A526-I529 PolarHBondContact O-N 3.35Å; A526-I529 VanDerWaalsContact O-N 3.14Å; A526-S530 PolarHBondContact O-N 2.73Å
527	S	75.4	Confident	66.1	Low	81 Å²	81	101.9 Å²	101.9	57%	0.566	58%	0.581	S	S	*	*	H	α-helix	trans	-65	-19.2	174.6	51.5	0	0	0	0	114.8	P525 S530	P525-S527 PolarHBondContact O-N 2.71Å; S527-S530 WeakPolarHBondContact CA-OG 3.2Å; S527-S530 PolarHBondContact O-OG 3.35Å
528	A	68.4	Low	65.3	Low	58 Å²	58	104 Å²	104	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-77.5	-28.6	173.6	0	0	0	0	0	112.1	I524 P525 A526	I524-A528 HydrophobicContact CG2-CB 3.73Å; P525-A528 HydrophobicContact CG-CB 4.38Å; P525-A528 WeakPolarHBondContact O-CB 3.48Å; P525-A528 PolarHBondContact O-N 3.24Å; A526-A528 PolarHBondContact O-N 3.16Å
529	I	68.9	Low	64.4	Low	67 Å²	67	100.2 Å²	100.2	34%	0.344	56%	0.562	S	S	.	*	H	α-helix	trans	-96.5	-20.1	177.3	60.8	171.5	0	0	0	113.2	A526 H531 L532	A526-I529 WeakPolarHBondContact O-CG1 3.33Å; A526-I529 PolarHBondContact O-N 3.35Å; A526-I529 VanDerWaalsContact O-N 3.14Å; I529-H531 PolarHBondContact O-N 2.75Å; I529-L532 HydrophobicContact CB-CD1 4.46Å; I529-L532 HydrophobicContact CG2-CD1 4.38Å; I529-L532 WeakPolarHBondContact O-CA 3.47Å; I529-L532 VanDerWaalsContact O-CB 3.26Å; I529-L532 WeakPolarHBondContact O-CB 3.16Å; I529-L532 PolarHBondContact O-N 2.91Å; I529-L532 VanDerWaalsContact O-O 3.13Å
530	S	65.6	Low	63.2	Low	77 Å²	77	96 Å²	96	54%	0.538	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-11.8	-177.1	64.7	0	0	0	0	115.5	A526 S527	A526-S530 PolarHBondContact O-N 2.73Å; S527-S530 WeakPolarHBondContact CA-OG 3.2Å; S527-S530 PolarHBondContact O-OG 3.35Å
531	H	65.9	Low	62.3	Low	162 Å²	162	93.9 Å²	93.9	75%	0.75	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.4	170.3	-73.2	-73.1	0	0	0	113.1	I529	I529-H531 PolarHBondContact O-N 2.75Å
532	L	63.4	Low	61.3	Low	90 Å²	90	96 Å²	96	47%	0.471	53%	0.526	S	S	.	.	S	Bend	trans	-80.2	114	166.5	-48.6	175.6	0	0	0	106.4	I529 L534	I529-L532 HydrophobicContact CB-CD1 4.46Å; I529-L532 HydrophobicContact CG2-CD1 4.38Å; I529-L532 WeakPolarHBondContact O-CA 3.47Å; I529-L532 VanDerWaalsContact O-CB 3.26Å; I529-L532 WeakPolarHBondContact O-CB 3.16Å; I529-L532 PolarHBondContact O-N 2.91Å; I529-L532 VanDerWaalsContact O-O 3.13Å; L532-L534 HydrophobicContact CB-CD1 3.98Å; L532-L534 HydrophobicContact CB-CD2 4.17Å; L532-L534 HydrophobicContact CB-CG 3.71Å; L532-L534 HydrophobicContact CD1-CD1 4.31Å; L532-L534 PolarHBondContact O-N 2.88Å
533	Q	57.8	Low	60.1	Low	166 Å²	166	96.1 Å²	96.1	78%	0.776	52%	0.521	S	S	*	.			trans	-78.2	50.1	-173.6	-65.3	179.5	-21.7	0	0	112.5	D535 S536 S539	Q533-D535 VanDerWaalsContact C-N 3.27Å; Q533-D535 PolarHBondContact O-N 3.46Å; Q533-S536 PolarHBondContact O-OG 3Å; Q533-S539 VanDerWaalsContact O-CB 3.29Å; Q533-S539 WeakPolarHBondContact O-CB 3.4Å; Q533-S539 PolarHBondContact O-OG 3.24Å
534	L	59.6	Low	59.2	Low	46 Å²	46	86.6 Å²	86.6	24%	0.241	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-14.3	-172	-57.2	178.1	0	0	0	114	L532 S536 S539 I540 I543	L532-L534 HydrophobicContact CB-CD1 3.98Å; L532-L534 HydrophobicContact CB-CD2 4.17Å; L532-L534 HydrophobicContact CB-CG 3.71Å; L532-L534 HydrophobicContact CD1-CD1 4.31Å; L532-L534 PolarHBondContact O-N 2.88Å; L534-S536 PolarHBondContact O-N 2.85Å; L534-S539 VanDerWaalsContact C-OG 3.29Å; L534-S539 WeakPolarHBondContact CA-OG 3.46Å; L534-S539 PolarHBondContact O-OG 2.91Å; L534-I540 WeakPolarHBondContact O-CG1 3.1Å; L534-I543 HydrophobicContact CD2-CD1 3.43Å; L534-I543 VanDerWaalsContact CD2-CD1 3.43Å
535	D	51.5	Low	59.1	Low	146 Å²	146	84.2 Å²	84.2	78%	0.781	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	14.9	-175	-56.9	-48.3	0	0	0	113.6	Q533	Q533-D535 VanDerWaalsContact C-N 3.27Å; Q533-D535 PolarHBondContact O-N 3.46Å
536	S	52.9	Low	59.1	Low	55 Å²	55	83.9 Å²	83.9	39%	0.385	47%	0.468	S	S	.	.	S	Bend	trans	-110.6	135.5	173.6	64	0	0	0	0	111.1	Q533 L534 E538 S539 I540	Q533-S536 PolarHBondContact O-OG 3Å; L534-S536 PolarHBondContact O-N 2.85Å; S536-E538 PolarHBondContact O-N 3.33Å; S536-E538 VanDerWaalsContact O-N 3.13Å; S536-S539 PolarHBondContact N-OG 2.85Å; S536-S539 WeakPolarHBondContact O-CA 3.49Å; S536-S539 WeakPolarHBondContact O-CB 3.27Å; S536-S539 PolarHBondContact O-N 3.36Å; S536-S539 PolarHBondContact O-OG 2.8Å; S536-S539 WeakPolarHBondContact OG-CB 3.42Å; S536-S539 PolarHBondContact OG-N 2.61Å; S536-S539 PolarHBondContact OG-OG 2.85Å; S536-I540 PolarHBondContact O-N 2.8Å
537	D	53.1	Low	59.9	Low	143 Å²	143	82.7 Å²	82.7	77%	0.765	45%	0.45	S	S	*	.	H	α-helix	trans	-52.5	-38.9	178.8	-61.9	-50.4	0	0	0	111.8	S539 I540 A541	D537-S539 VanDerWaalsContact C-N 3.32Å; D537-S539 PolarHBondContact O-N 3.39Å; D537-I540 PolarHBondContact O-N 3.24Å; D537-A541 WeakPolarHBondContact O-CB 3.33Å; D537-A541 PolarHBondContact O-N 3.49Å
538	E	53.6	Low	60.6	Low	131 Å²	131	79.4 Å²	79.4	61%	0.612	43%	0.425	S	S	*	.	H	α-helix	trans	-66.9	-28.8	178	-154.4	-166.4	156	0	0	113.1	S536 K542	S536-E538 PolarHBondContact O-N 3.33Å; S536-E538 VanDerWaalsContact O-N 3.13Å; E538-K542 VanDerWaalsContact CD-NZ 3.31Å; E538-K542 VanDerWaalsContact O-CD 3.29Å; E538-K542 WeakPolarHBondContact O-CD 3.3Å; E538-K542 WeakPolarHBondContact O-CG 3.45Å; E538-K542 PolarHBondContact O-N 3.44Å; E538-K542 WeakPolarHBondContact OE1-CE 3.42Å; E538-K542 IonicContact OE1-NZ 2.83Å; E538-K542 PolarHBondContact OE1-NZ 3.19Å
539	S	47.4	Very low	61.7	Low	17 Å²	17	77.7 Å²	77.7	12%	0.119	41%	0.413	C	S	.	.	H	α-helix	trans	-78.1	-44.5	173.7	71.6	0	0	0	0	111.9	Q533 L534 S536 D537 A541 K542 I543	Q533-S539 VanDerWaalsContact O-CB 3.29Å; Q533-S539 WeakPolarHBondContact O-CB 3.4Å; Q533-S539 PolarHBondContact O-OG 3.24Å; L534-S539 VanDerWaalsContact C-OG 3.29Å; L534-S539 WeakPolarHBondContact CA-OG 3.46Å; L534-S539 PolarHBondContact O-OG 2.91Å; S536-S539 PolarHBondContact N-OG 2.85Å; S536-S539 WeakPolarHBondContact O-CA 3.49Å; S536-S539 WeakPolarHBondContact O-CB 3.27Å; S536-S539 PolarHBondContact O-N 3.36Å; S536-S539 PolarHBondContact O-OG 2.8Å; S536-S539 WeakPolarHBondContact OG-CB 3.42Å; S536-S539 PolarHBondContact OG-N 2.61Å; S536-S539 PolarHBondContact OG-OG 2.85Å; D537-S539 VanDerWaalsContact C-N 3.32Å; D537-S539 PolarHBondContact O-N 3.39Å; S539-A541 PolarHBondContact O-N 2.87Å; S539-K542 CarbonylContact O-C 3.57Å; S539-K542 PolarHBondContact O-N 3.41Å; S539-I543 VanDerWaalsContact O-CB 3.32Å; S539-I543 WeakPolarHBondContact O-CB 3.42Å; S539-I543 VanDerWaalsContact O-CG1 3.27Å; S539-I543 WeakPolarHBondContact O-CG1 3.44Å; S539-I543 PolarHBondContact O-N 2.85Å
540	I	49	Very low	62.9	Low	78 Å²	78	76.8 Å²	76.8	40%	0.4	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-38.4	174.9	-57	174.7	0	0	0	109.4	L534 S536 D537 K542 I543 G544 A675	L534-I540 WeakPolarHBondContact O-CG1 3.1Å; S536-I540 PolarHBondContact O-N 2.8Å; D537-I540 PolarHBondContact O-N 3.24Å; I540-K542 VanDerWaalsContact C-N 3.28Å; I540-K542 PolarHBondContact O-N 3.34Å; I540-I543 PolarHBondContact O-N 3.44Å; I540-G544 WeakPolarHBondContact O-CA 3.35Å; I540-G544 PolarHBondContact O-N 2.78Å; I540-A675 HydrophobicContact CG2-CB 4.49Å
541	A	48.9	Very low	64.3	Low	14 Å²	14	76.5 Å²	76.5	12%	0.116	41%	0.406	C	S	.	.	H	α-helix	trans	-68.6	-18.3	175.3	0	0	0	0	0	115	D537 S539 P642	D537-A541 WeakPolarHBondContact O-CB 3.33Å; D537-A541 PolarHBondContact O-N 3.49Å; S539-A541 PolarHBondContact O-N 2.87Å; A541-P642 HydrophobicContact CB-CB 3.84Å; A541-P642 HydrophobicContact CB-CG 3.83Å; A541-P642 WeakPolarHBondContact O-CD 3.27Å
542	K	49.5	Very low	65.6	Low	135 Å²	135	70.1 Å²	70.1	59%	0.587	38%	0.376	S	S	*	.	H	α-helix	trans	-99.4	-24.1	175.6	-74.3	168.5	-171.8	167.2	0	113.6	E538 S539 I540	E538-K542 VanDerWaalsContact CD-NZ 3.31Å; E538-K542 VanDerWaalsContact O-CD 3.29Å; E538-K542 WeakPolarHBondContact O-CD 3.3Å; E538-K542 WeakPolarHBondContact O-CG 3.45Å; E538-K542 PolarHBondContact O-N 3.44Å; E538-K542 WeakPolarHBondContact OE1-CE 3.42Å; E538-K542 IonicContact OE1-NZ 2.83Å; E538-K542 PolarHBondContact OE1-NZ 3.19Å; S539-K542 CarbonylContact O-C 3.57Å; S539-K542 PolarHBondContact O-N 3.41Å; I540-K542 VanDerWaalsContact C-N 3.28Å; I540-K542 PolarHBondContact O-N 3.34Å
543	I	45.7	Very low	67.1	Low	90 Å²	90	70.8 Å²	70.8	46%	0.462	39%	0.389	S	S	.	.	H	α-helix	trans	-105.1	-33.7	-171.7	-64.5	168.7	0	0	0	111.5	L534 S539 I540	L534-I543 HydrophobicContact CD2-CD1 3.43Å; L534-I543 VanDerWaalsContact CD2-CD1 3.43Å; S539-I543 VanDerWaalsContact O-CB 3.32Å; S539-I543 WeakPolarHBondContact O-CB 3.42Å; S539-I543 VanDerWaalsContact O-CG1 3.27Å; S539-I543 WeakPolarHBondContact O-CG1 3.44Å; S539-I543 PolarHBondContact O-N 2.85Å; I540-I543 PolarHBondContact O-N 3.44Å
544	G	53.1	Low	68.9	Low	7 Å²	7	65.5 Å²	65.5	7%	0.072	36%	0.364	C	S	.	.	S	Bend	trans	-66.8	145	169.4	0	0	0	0	0	111.2	I540 K546 K676	I540-G544 WeakPolarHBondContact O-CA 3.35Å; I540-G544 PolarHBondContact O-N 2.78Å; G544-K546 PolarHBondContact O-N 2.99Å; G544-K676 WeakPolarHBondContact CA-O 3.38Å
545	A	66	Low	70.6	Confident	54 Å²	54	63.7 Å²	63.7	45%	0.446	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	121.3	174.8	0	0	0	0	0	109.3	Q547 K676	A545-Q547 PolarHBondContact O-N 3.45Å; A545-K676 PolarHBondContact N-O 3.3Å; A545-K676 PolarHBondContact O-N 3.37Å; A545-K676 VanDerWaalsContact O-N 3.1Å
546	K	77.4	Confident	72.6	Confident	70 Å²	70	58.1 Å²	58.1	30%	0.304	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	129.7	176	-64.8	-172.4	-174.3	-175.4	0	109.3	G544 D638 M640	G544-K546 PolarHBondContact O-N 2.99Å; K546-D638 PolarHBondContact NZ-O 2.86Å; K546-M640 WeakPolarHBondContact CE-O 3.38Å; K546-M640 PolarHBondContact NZ-O 3.21Å
547	Q	85.3	Confident	74.6	Confident	50 Å²	50	62.7 Å²	62.7	23%	0.234	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.3	176.5	-68.7	-149	-26.3	0	0	110.4	A545 M579 C673 Y674 K676	A545-Q547 PolarHBondContact O-N 3.45Å; Q547-M579 HydrophobicContact CB-CE 3.51Å; Q547-M579 HydrophobicContact CG-CE 3.49Å; Q547-M579 VanDerWaalsContact CG-CE 3.49Å; Q547-C673 CarbonylContact O-C 3.57Å; Q547-C673 WeakPolarHBondContact O-CA 3.36Å; Q547-Y674 HydrophobicContact CB-CD1 4.26Å; Q547-Y674 HydrophobicContact CB-CD2 3.81Å; Q547-Y674 HydrophobicContact CB-CE1 3.87Å; Q547-Y674 HydrophobicContact CB-CE2 3.36Å; Q547-Y674 HydrophobicContact CB-CG 4.23Å; Q547-Y674 HydrophobicContact CG-CE2 4.19Å; Q547-Y674 PolarHBondContact N-O 3.04Å; Q547-Y674 WeakPolarHBondContact O-CD1 3.29Å; Q547-Y674 PolarHBondContact O-N 3.31Å; Q547-Y674 VanDerWaalsContact OE1-CE2 3.26Å; Q547-Y674 PolarHBondContact OE1-OH 3.19Å; Q547-Y674 VanDerWaalsContact OE1-OH 3.09Å; Q547-K676 VanDerWaalsContact CD-CB 3.48Å; Q547-K676 HydrophobicContact CG-CB 3.68Å
548	F	90.5	Very high	76.6	Confident	11 Å²	11	57.9 Å²	57.9	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.8	-176.1	-61.9	-88.1	0	0	0	109.5	I577 C582 F636 M640 V671 T672 C673	F548-I577 HydrophobicContact CB-CD1 3.68Å; F548-I577 HydrophobicContact CB-CG2 4.27Å; F548-C582 HydrophobicContact CE2-CB 4.07Å; F548-F636 HydrophobicContact CB-CE2 4.09Å; F548-F636 AromaticContact CD1-CD2 3.65Å; F548-F636 HydrophobicContact CD1-CD2 3.65Å; F548-F636 AromaticContact CD1-CE2 3.8Å; F548-F636 HydrophobicContact CD1-CE2 3.8Å; F548-F636 HydrophobicContact CD1-CG 4.12Å; F548-F636 HydrophobicContact CD1-CZ 4.4Å; F548-F636 AromaticContact CD2-CD2 3.97Å; F548-F636 HydrophobicContact CD2-CD2 3.97Å; F548-F636 HydrophobicContact CD2-CE2 4.33Å; F548-F636 HydrophobicContact CE1-CB 3.89Å; F548-F636 HydrophobicContact CE1-CD1 4.47Å; F548-F636 AromaticContact CE1-CD2 3.66Å; F548-F636 HydrophobicContact CE1-CD2 3.66Å; F548-F636 HydrophobicContact CE1-CE2 4.29Å; F548-F636 AromaticContact CE1-CG 3.77Å; F548-F636 HydrophobicContact CE1-CG 3.77Å; F548-F636 AromaticContact CE2-CD2 4Å; F548-F636 HydrophobicContact CE2-CD2 4Å; F548-F636 AromaticContact CG-CD2 3.8Å; F548-F636 HydrophobicContact CG-CD2 3.8Å; F548-F636 AromaticContact CG-CE2 3.82Å; F548-F636 HydrophobicContact CG-CE2 3.82Å; F548-F636 HydrophobicContact CZ-CB 3.8Å; F548-F636 AromaticContact CZ-CD2 3.84Å; F548-F636 HydrophobicContact CZ-CD2 3.84Å; F548-F636 HydrophobicContact CZ-CG 4.05Å; F548-M640 HydrophobicContact CE1-CE 4.43Å; F548-M640 HydrophobicContact CE1-SD 4.14Å; F548-V671 HydrophobicContact CB-CG1 4.04Å; F548-T672 WeakPolarHBondContact CA-O 3.19Å; F548-C673 HydrophobicContact CD1-CB 4.02Å; F548-C673 HydrophobicContact CE1-CB 3.9Å
549	G	90.9	Very high	78.5	Confident	22 Å²	22	58.3 Å²	58.3	23%	0.227	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.2	-176.9	0	0	0	0	0	111.5	C551 V671 T672	G549-C551 PolarHBondContact O-N 3.09Å; G549-V671 WeakPolarHBondContact O-CA 3.43Å; G549-V671 WeakPolarHBondContact O-CG1 3.48Å; G549-T672 PolarHBondContact N-O 2.95Å; G549-T672 PolarHBondContact O-N 2.82Å
550	L	94.9	Very high	80.7	Confident	48 Å²	48	62 Å²	62	25%	0.251	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.6	174.8	-58.3	178.1	0	0	0	109.5	F552 C575 I577 L584 V671	L550-F552 HydrophobicContact CB-CD1 4.43Å; L550-F552 HydrophobicContact CB-CE1 4.13Å; L550-F552 HydrophobicContact CB-CZ 4.3Å; L550-F552 HydrophobicContact CD1-CZ 4.42Å; L550-F552 HydrophobicContact CD2-CE1 3.98Å; L550-F552 HydrophobicContact CD2-CZ 3.89Å; L550-F552 HydrophobicContact CG-CZ 4.43Å; L550-F552 PolarHBondContact O-N 3.17Å; L550-C575 HydrophobicContact CD1-CB 4.18Å; L550-C575 VanDerWaalsContact CD1-O 3.29Å; L550-C575 WeakPolarHBondContact CD1-O 3.42Å; L550-I577 HydrophobicContact CD2-CD1 3.81Å; L550-I577 HydrophobicContact CD2-CG1 4.14Å; L550-I577 HydrophobicContact CG-CD1 4.12Å; L550-L584 HydrophobicContact CD2-CD1 3.74Å; L550-V671 HydrophobicContact CD2-CG1 4.32Å; L550-V671 HydrophobicContact CD2-CG2 3.78Å
551	C	93.5	Very high	83	Confident	72 Å²	72	58.8 Å²	58.8	49%	0.486	35%	0.35	S	S	.	.			trans	-92.9	39.2	-178.6	-56.4	0	0	0	0	111.9	G549 C670 T672	G549-C551 PolarHBondContact O-N 3.09Å; C551-C670 HydrophobicContact CB-CB 4.04Å; C551-C670 WeakPolarHBondContact CB-O 3.29Å; C551-C670 PolarHBondContact N-O 3.03Å; C551-T672 PolarHBondContact SG-OG1 3.04Å
552	F	94.1	Very high	85.2	Confident	28 Å²	28	61.8 Å²	61.8	12%	0.123	36%	0.364	C	S	.	.	S	Bend	trans	-157.2	152.1	179.9	57.4	-90.4	0	0	0	110.7	L550 L572 C575 F648 Y669 C670 V671	L550-F552 HydrophobicContact CB-CD1 4.43Å; L550-F552 HydrophobicContact CB-CE1 4.13Å; L550-F552 HydrophobicContact CB-CZ 4.3Å; L550-F552 HydrophobicContact CD1-CZ 4.42Å; L550-F552 HydrophobicContact CD2-CE1 3.98Å; L550-F552 HydrophobicContact CD2-CZ 3.89Å; L550-F552 HydrophobicContact CG-CZ 4.43Å; L550-F552 PolarHBondContact O-N 3.17Å; F552-L572 HydrophobicContact CE2-CD2 3.67Å; F552-L572 HydrophobicContact CZ-CD2 4.02Å; F552-C575 HydrophobicContact CE2-CB 4.19Å; F552-C575 HydrophobicContact CZ-CB 3.98Å; F552-F648 HydrophobicContact CE1-CE1 4.37Å; F552-F648 HydrophobicContact CZ-CE1 4.45Å; F552-F648 HydrophobicContact CZ-CZ 4.23Å; F552-Y669 HydrophobicContact CB-CD1 4.47Å; F552-Y669 AromaticContact CD1-CD1 3.87Å; F552-Y669 HydrophobicContact CD1-CD1 3.87Å; F552-Y669 AromaticContact CD2-CD1 3.61Å; F552-Y669 HydrophobicContact CD2-CD1 3.61Å; F552-Y669 AromaticContact CD2-CE1 3.89Å; F552-Y669 HydrophobicContact CD2-CE1 3.89Å; F552-Y669 AromaticContact CE1-CD1 3.9Å; F552-Y669 HydrophobicContact CE1-CD1 3.9Å; F552-Y669 HydrophobicContact CE1-CG 4.43Å; F552-Y669 AromaticContact CE2-CD1 3.64Å; F552-Y669 HydrophobicContact CE2-CD1 3.64Å; F552-Y669 HydrophobicContact CE2-CE1 4.08Å; F552-Y669 AromaticContact CG-CD1 3.72Å; F552-Y669 HydrophobicContact CG-CD1 3.72Å; F552-Y669 HydrophobicContact CG-CE1 4.29Å; F552-Y669 AromaticContact CZ-CD1 3.78Å; F552-Y669 HydrophobicContact CZ-CD1 3.78Å; F552-Y669 HydrophobicContact CZ-CG 4.46Å; F552-C670 WeakPolarHBondContact CD1-O 3.39Å; F552-C670 WeakPolarHBondContact CE1-O 3.33Å; F552-V671 HydrophobicContact CE1-CG2 4.49Å
553	S	93.7	Very high	87.5	Confident	104 Å²	104	64.8 Å²	64.8	73%	0.727	37%	0.371	S	S	*	.			trans	-75.9	143.6	171.1	50.1	0	0	0	0	111.4	P555	S553-P555 VanDerWaalsContact O-CD 3.24Å; S553-P555 WeakPolarHBondContact O-CD 3.48Å; S553-P555 VanDerWaalsContact O-N 3.17Å
554	Q	95.5	Very high	89.8	Confident	54 Å²	54	62.1 Å²	62.1	25%	0.252	36%	0.355	S	S	.	.			trans	-61.8	112.2	-179.9	-60.4	-67.1	-8.1	0	0	110.2	G556 L557 C575	Q554-G556 VanDerWaalsContact C-N 3.27Å; Q554-G556 PolarHBondContact O-N 3.26Å; Q554-L557 HydrophobicContact CB-CD1 3.91Å; Q554-L557 HydrophobicContact CB-CG 3.93Å; Q554-L557 HydrophobicContact CG-CD1 4.34Å; Q554-L557 PolarHBondContact O-N 2.8Å; Q554-L557 VanDerWaalsContact O-N 3.09Å; Q554-C575 PolarHBondContact NE2-O 3.33Å; Q554-C575 PolarHBondContact OE1-O 2.74Å
555	P	95.1	Very high	91.9	Very high	8 Å²	8	61.8 Å²	61.8	5%	0.052	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-68.8	-26.5	-168.2	-17.9	30.6	0	0	0	113.2	S553 L557 A558 F561 L572 Y669	S553-P555 VanDerWaalsContact O-CD 3.24Å; S553-P555 WeakPolarHBondContact O-CD 3.48Å; S553-P555 VanDerWaalsContact O-N 3.17Å; P555-L557 PolarHBondContact O-N 2.97Å; P555-A558 VanDerWaalsContact O-CB 3.29Å; P555-A558 WeakPolarHBondContact O-CB 3.09Å; P555-A558 PolarHBondContact O-N 2.94Å; P555-A558 VanDerWaalsContact O-N 3.08Å; P555-F561 HydrophobicContact CB-CD2 4.43Å; P555-F561 WeakPolarHBondContact O-CB 3.22Å; P555-F561 WeakPolarHBondContact O-CD2 3.45Å; P555-L572 WeakPolarHBondContact CB-O 3.36Å; P555-L572 HydrophobicContact CG-CB 4.33Å; P555-L572 WeakPolarHBondContact CG-O 3.29Å; P555-Y669 HydrophobicContact CG-CE1 3.94Å
556	G	94.6	Very high	93.4	Very high	29 Å²	29	62.2 Å²	62.2	30%	0.299	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-64.9	-19.2	174.2	0	0	0	0	0	114.8	Q554 A558 E573	Q554-G556 VanDerWaalsContact C-N 3.27Å; Q554-G556 PolarHBondContact O-N 3.26Å; G556-A558 VanDerWaalsContact C-N 3.33Å; G556-E573 VanDerWaalsContact CA-O 3.25Å; G556-E573 WeakPolarHBondContact CA-O 3.37Å; G556-E573 PolarHBondContact N-O 3.15Å
557	L	94.4	Very high	94.3	Very high	152 Å²	152	63.9 Å²	63.9	80%	0.796	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-81.5	-11.5	172.5	-60.4	-177.6	0	0	0	112.8	Q554 P555	Q554-L557 HydrophobicContact CB-CD1 3.91Å; Q554-L557 HydrophobicContact CB-CG 3.93Å; Q554-L557 HydrophobicContact CG-CD1 4.34Å; Q554-L557 PolarHBondContact O-N 2.8Å; Q554-L557 VanDerWaalsContact O-N 3.09Å; P555-L557 PolarHBondContact O-N 2.97Å
558	A	94.7	Very high	94.8	Very high	42 Å²	42	63.6 Å²	63.6	35%	0.347	37%	0.366	S	S	.	.	S	Bend	trans	-77	132.5	179.3	0	0	0	0	0	111.2	P555 G556 N560 F561	P555-A558 VanDerWaalsContact O-CB 3.29Å; P555-A558 WeakPolarHBondContact O-CB 3.09Å; P555-A558 PolarHBondContact O-N 2.94Å; P555-A558 VanDerWaalsContact O-N 3.08Å; G556-A558 VanDerWaalsContact C-N 3.33Å; A558-N560 WeakPolarHBondContact CB-OD1 3.33Å; A558-N560 PolarHBondContact O-N 2.93Å; A558-F561 WeakPolarHBondContact O-CB 3.48Å; A558-F561 PolarHBondContact O-N 3.45Å
559	S	94.9	Very high	95.1	Very high	139 Å²	139	64 Å²	64	97%	0.972	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.1	-179.9	59.2	0	0	0	0	114.4
560	N	94	Very high	95.4	Very high	95 Å²	95	63 Å²	63	51%	0.508	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	4.6	175.5	68.2	-1.6	0	0	0	114.1	A558 I562 R563 R564	A558-N560 WeakPolarHBondContact CB-OD1 3.33Å; A558-N560 PolarHBondContact O-N 2.93Å; N560-I562 PolarHBondContact O-N 3.45Å; N560-R563 CarbonylContact O-C 3.59Å; N560-R563 WeakPolarHBondContact O-CA 3.38Å; N560-R563 WeakPolarHBondContact O-CB 3.4Å; N560-R563 PolarHBondContact O-N 2.61Å; N560-R564 PolarHBondContact O-N 3.32Å
561	F	96.4	Very high	95.6	Very high	11 Å²	11	60.7 Å²	60.7	5%	0.048	35%	0.346	C	S	.	.	H	α-helix	trans	-51.9	-53.7	-172	172.9	-116.6	0	0	0	113.8	P555 A558 R563 R564 V565 C571 L572 E573 R589	P555-F561 HydrophobicContact CB-CD2 4.43Å; P555-F561 WeakPolarHBondContact O-CB 3.22Å; P555-F561 WeakPolarHBondContact O-CD2 3.45Å; A558-F561 WeakPolarHBondContact O-CB 3.48Å; A558-F561 PolarHBondContact O-N 3.45Å; F561-R563 VanDerWaalsContact C-N 3.25Å; F561-R563 PolarHBondContact O-N 3.38Å; F561-R564 WeakPolarHBondContact O-CA 3.43Å; F561-R564 WeakPolarHBondContact O-CB 3.49Å; F561-R564 PolarHBondContact O-N 2.75Å; F561-V565 HydrophobicContact CD2-CG2 4.2Å; F561-V565 HydrophobicContact CE1-CG2 4.11Å; F561-V565 HydrophobicContact CE2-CG2 3.65Å; F561-V565 HydrophobicContact CZ-CG2 3.57Å; F561-V565 PolarHBondContact O-N 3.2Å; F561-C571 HydrophobicContact CE2-CB 3.92Å; F561-L572 WeakPolarHBondContact CE2-O 3.39Å; F561-E573 HydrophobicContact CE1-CB 4.14Å; F561-E573 HydrophobicContact CE1-CG 3.6Å; F561-E573 HydrophobicContact CE2-CB 4.19Å; F561-E573 HydrophobicContact CE2-CG 4.38Å; F561-E573 HydrophobicContact CZ-CB 3.52Å; F561-E573 HydrophobicContact CZ-CG 3.52Å; F561-R589 HydrophobicContact CE1-CB 4.41Å; F561-R589 HydrophobicContact CZ-CB 3.83Å
562	I	96	Very high	95.8	Very high	77 Å²	77	57.2 Å²	57.2	40%	0.395	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-36.2	179	-58.7	-60.6	0	0	0	111.1	N560 R564 V565 L566	N560-I562 PolarHBondContact O-N 3.45Å; I562-R564 PolarHBondContact O-N 2.88Å; I562-V565 PolarHBondContact O-N 2.72Å; I562-L566 HydrophobicContact CG2-CD1 3.97Å; I562-L566 HydrophobicContact CG2-CG 4.28Å; I562-L566 WeakPolarHBondContact O-CB 3.39Å; I562-L566 VanDerWaalsContact O-CG 3.27Å; I562-L566 WeakPolarHBondContact O-CG 3.43Å; I562-L566 PolarHBondContact O-N 2.82Å
563	R	96.4	Very high	95.9	Very high	198 Å²	198	57.2 Å²	57.2	75%	0.747	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-37.5	173.9	-174.2	178.2	176	-179.9	-1.4	111.5	N560 F561 T567	N560-R563 CarbonylContact O-C 3.59Å; N560-R563 WeakPolarHBondContact O-CA 3.38Å; N560-R563 WeakPolarHBondContact O-CB 3.4Å; N560-R563 PolarHBondContact O-N 2.61Å; F561-R563 VanDerWaalsContact C-N 3.25Å; F561-R563 PolarHBondContact O-N 3.38Å; R563-T567 WeakPolarHBondContact O-CB 3.22Å; R563-T567 PolarHBondContact O-N 2.97Å; R563-T567 VanDerWaalsContact O-N 3.14Å; R563-T567 PolarHBondContact O-OG1 2.91Å
564	R	95.5	Very high	96.1	Very high	33 Å²	33	55.1 Å²	55.1	13%	0.125	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-49.7	171.5	-179	172.1	167.9	-172.6	-12.2	110.9	N560 F561 I562 L566 T567 S568 C571 D662 H665 Y669	N560-R564 PolarHBondContact O-N 3.32Å; F561-R564 WeakPolarHBondContact O-CA 3.43Å; F561-R564 WeakPolarHBondContact O-CB 3.49Å; F561-R564 PolarHBondContact O-N 2.75Å; I562-R564 PolarHBondContact O-N 2.88Å; R564-L566 VanDerWaalsContact C-N 3.35Å; R564-L566 PolarHBondContact O-N 3.43Å; R564-T567 PolarHBondContact O-N 2.83Å; R564-T567 VanDerWaalsContact O-N 3.11Å; R564-S568 WeakPolarHBondContact O-CB 3.44Å; R564-S568 PolarHBondContact O-N 3.27Å; R564-C571 HydrophobicContact CG-CB 4.41Å; R564-C571 PolarHBondContact NE-SG 3.41Å; R564-D662 IonicContact CZ-OD1 3.8Å; R564-D662 VanDerWaalsContact NH2-CG 3.33Å; R564-D662 IonicContact NH2-OD1 2.72Å; R564-D662 PolarHBondContact NH2-OD1 2.87Å; R564-D662 IonicContact NH2-OD2 3.17Å; R564-D662 PolarHBondContact NH2-OD2 3.1Å; R564-D662 VanDerWaalsContact NH2-OD2 3.17Å; R564-H665 PolarHBondContact NE-NE2 3.47Å; R564-H665 PolarHBondContact NH1-NE2 2.88Å; R564-Y669 PolarHBondContact NH2-OH 2.81Å
565	V	97.2	Very high	96.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-45.2	176.6	176.2	0	0	0	0	112	F561 I562 T567 N569 C571 R589 T627	F561-V565 HydrophobicContact CD2-CG2 4.2Å; F561-V565 HydrophobicContact CE1-CG2 4.11Å; F561-V565 HydrophobicContact CE2-CG2 3.65Å; F561-V565 HydrophobicContact CZ-CG2 3.57Å; F561-V565 PolarHBondContact O-N 3.2Å; I562-V565 PolarHBondContact O-N 2.72Å; V565-T567 VanDerWaalsContact C-N 3.28Å; V565-T567 PolarHBondContact O-N 2.84Å; V565-N569 CarbonylContact O-C 3.55Å; V565-N569 WeakPolarHBondContact O-CA 3.34Å; V565-N569 PolarHBondContact O-N 3.26Å; V565-C571 HydrophobicContact CG2-CB 3.69Å; V565-R589 HydrophobicContact CG1-CB 4.34Å; V565-R589 HydrophobicContact CG1-CG 4.19Å; V565-R589 HydrophobicContact CG2-CB 4.02Å; V565-R589 HydrophobicContact CG2-CG 4.43Å; V565-T627 HydrophobicContact CG1-CG2 3.86Å
566	L	96.5	Very high	96.1	Very high	64 Å²	64	57.6 Å²	57.6	34%	0.335	32%	0.315	S	S	.	.	H	α-helix	trans	-71.4	-20.5	-179.6	-66.2	175.3	0	0	0	114	I562 R564 K591 V626 T627	I562-L566 HydrophobicContact CG2-CD1 3.97Å; I562-L566 HydrophobicContact CG2-CG 4.28Å; I562-L566 WeakPolarHBondContact O-CB 3.39Å; I562-L566 VanDerWaalsContact O-CG 3.27Å; I562-L566 WeakPolarHBondContact O-CG 3.43Å; I562-L566 PolarHBondContact O-N 2.82Å; R564-L566 VanDerWaalsContact C-N 3.35Å; R564-L566 PolarHBondContact O-N 3.43Å; L566-K591 HydrophobicContact CD2-CG 4.36Å; L566-K591 PolarHBondContact O-NZ 2.76Å; L566-V626 HydrophobicContact CD2-CG1 3.55Å; L566-T627 HydrophobicContact CD2-CG2 4.21Å
567	T	96.3	Very high	96	Very high	104 Å²	104	57.8 Å²	57.8	64%	0.638	31%	0.308	S	S	*	.	H	α-helix	trans	-94.3	-46.8	-179.3	-52.5	0	0	0	0	112	R563 R564 V565	R563-T567 WeakPolarHBondContact O-CB 3.22Å; R563-T567 PolarHBondContact O-N 2.97Å; R563-T567 VanDerWaalsContact O-N 3.14Å; R563-T567 PolarHBondContact O-OG1 2.91Å; R564-T567 PolarHBondContact O-N 2.83Å; R564-T567 VanDerWaalsContact O-N 3.11Å; V565-T567 VanDerWaalsContact C-N 3.28Å; V565-T567 PolarHBondContact O-N 2.84Å
568	S	95	Very high	95.8	Very high	44 Å²	44	53 Å²	53	31%	0.308	28%	0.284	S	S	.	.	H	α-helix	trans	-88.7	-5.8	-179.4	-60.4	0	0	0	0	113.4	R564 V570	R564-S568 WeakPolarHBondContact O-CB 3.44Å; R564-S568 PolarHBondContact O-N 3.27Å; S568-V570 PolarHBondContact O-N 3.11Å
569	N	97.4	Very high	95.2	Very high	20 Å²	20	54.6 Å²	54.6	11%	0.107	29%	0.285	C	S	.	.	S	Bend	trans	62.7	-15.3	-177.1	-55.1	-33.8	0	0	0	116.2	V565 V590 K591 F593 Y652 F660	V565-N569 CarbonylContact O-C 3.55Å; V565-N569 WeakPolarHBondContact O-CA 3.34Å; V565-N569 PolarHBondContact O-N 3.26Å; N569-V590 WeakPolarHBondContact O-CA 3.37Å; N569-K591 HydrophobicContact CB-CB 4.31Å; N569-K591 HydrophobicContact CB-CD 4.42Å; N569-K591 PolarHBondContact O-N 2.82Å; N569-K591 WeakPolarHBondContact OD1-CD 3.34Å; N569-K591 PolarHBondContact OD1-NZ 2.79Å; N569-K591 VanDerWaalsContact OD1-NZ 3.14Å; N569-F593 HydrophobicContact CB-CE2 3.84Å; N569-F593 HydrophobicContact CB-CZ 4.26Å; N569-Y652 WeakPolarHBondContact O-CD1 3.19Å; N569-F660 HydrophobicContact CB-CB 4.21Å; N569-F660 HydrophobicContact CB-CD1 4.16Å; N569-F660 HydrophobicContact CB-CD2 3.78Å; N569-F660 HydrophobicContact CB-CE2 4.22Å; N569-F660 HydrophobicContact CB-CG 3.75Å; N569-F660 VanDerWaalsContact ND2-CD1 3.31Å; N569-F660 WeakPolarHBondContact ND2-CD1 3.45Å; N569-F660 WeakPolarHBondContact ND2-CE1 3.31Å; N569-F660 VanDerWaalsContact ND2-CZ 3.31Å; N569-F660 WeakPolarHBondContact ND2-CZ 3.35Å
570	V	98	Very high	94.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.4	171.8	51.4	0	0	0	0	109.3	S568 I588 R589 V590 I650 Y652 F660 D662	S568-V570 PolarHBondContact O-N 3.11Å; V570-I588 HydrophobicContact CG2-CG2 3.84Å; V570-R589 WeakPolarHBondContact CA-O 3.14Å; V570-V590 HydrophobicContact CB-CG1 4.07Å; V570-V590 HydrophobicContact CG2-CG1 3.88Å; V570-I650 HydrophobicContact CG2-CB 4.38Å; V570-I650 HydrophobicContact CG2-CG2 3.65Å; V570-Y652 HydrophobicContact CB-CD1 4.29Å; V570-Y652 HydrophobicContact CB-CG 4.48Å; V570-F660 HydrophobicContact CG1-CB 3.91Å; V570-D662 HydrophobicContact CG1-CB 4.19Å; V570-D662 HydrophobicContact CG2-CB 4.46Å
571	C	97.7	Very high	93.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	147.9	165	-164.8	0	0	0	0	111.8	F561 R564 V565 E573 R589 D662	F561-C571 HydrophobicContact CE2-CB 3.92Å; R564-C571 HydrophobicContact CG-CB 4.41Å; R564-C571 PolarHBondContact NE-SG 3.41Å; V565-C571 HydrophobicContact CG2-CB 3.69Å; C571-E573 PolarHBondContact O-N 3.32Å; C571-R589 PolarHBondContact N-O 3.22Å; C571-R589 PolarHBondContact O-N 3.49Å; C571-D662 WeakPolarHBondContact CA-OD2 3.36Å; C571-D662 PolarHBondContact SG-OD2 2.88Å
572	L	98.2	Very high	93.4	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.2	161.7	-173.9	70.3	0	0	0	109.5	F552 P555 F561 D574 C575 I588 F632 F648 I650 D662 Y669	F552-L572 HydrophobicContact CE2-CD2 3.67Å; F552-L572 HydrophobicContact CZ-CD2 4.02Å; P555-L572 WeakPolarHBondContact CB-O 3.36Å; P555-L572 HydrophobicContact CG-CB 4.33Å; P555-L572 WeakPolarHBondContact CG-O 3.29Å; F561-L572 WeakPolarHBondContact CE2-O 3.39Å; L572-D574 WeakPolarHBondContact CD1-O 3.23Å; L572-C575 HydrophobicContact CD2-CB 4.21Å; L572-I588 HydrophobicContact CD1-CG1 4.14Å; L572-F632 HydrophobicContact CD1-CE1 3.66Å; L572-F632 HydrophobicContact CD1-CZ 3.95Å; L572-F648 HydrophobicContact CD1-CE2 4.46Å; L572-F648 HydrophobicContact CD2-CE2 4.37Å; L572-F648 HydrophobicContact CD2-CZ 4.21Å; L572-I650 HydrophobicContact CB-CD1 3.72Å; L572-I650 HydrophobicContact CD1-CD1 4.08Å; L572-I650 HydrophobicContact CG-CD1 4.49Å; L572-D662 PolarHBondContact N-OD2 3.09Å; L572-D662 VanDerWaalsContact N-OD2 3.1Å; L572-Y669 HydrophobicContact CB-CE1 4.14Å; L572-Y669 HydrophobicContact CB-CE2 3.94Å; L572-Y669 HydrophobicContact CD2-CD1 3.54Å; L572-Y669 HydrophobicContact CD2-CD2 4.33Å; L572-Y669 HydrophobicContact CD2-CE1 3.43Å; L572-Y669 VanDerWaalsContact CD2-CE1 3.43Å; L572-Y669 HydrophobicContact CD2-CE2 4.24Å; L572-Y669 HydrophobicContact CD2-CG 4Å; L572-Y669 HydrophobicContact CG-CE1 4.43Å
573	E	97.6	Very high	93.2	Very high	27 Å²	27	59.2 Å²	59.2	13%	0.126	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-55.2	173.9	-171.3	162.5	153.8	0	0	110.1	G556 F561 C571 T587 R589 K629	G556-E573 VanDerWaalsContact CA-O 3.25Å; G556-E573 WeakPolarHBondContact CA-O 3.37Å; G556-E573 PolarHBondContact N-O 3.15Å; F561-E573 HydrophobicContact CE1-CB 4.14Å; F561-E573 HydrophobicContact CE1-CG 3.6Å; F561-E573 HydrophobicContact CE2-CB 4.19Å; F561-E573 HydrophobicContact CE2-CG 4.38Å; F561-E573 HydrophobicContact CZ-CB 3.52Å; F561-E573 HydrophobicContact CZ-CG 3.52Å; C571-E573 PolarHBondContact O-N 3.32Å; E573-T587 PolarHBondContact N-O 2.84Å; E573-R589 IonicContact OE1-NH1 3.87Å; E573-R589 PolarHBondContact OE1-NH1 2.86Å; E573-R589 WeakPolarHBondContact OE2-CD 3.36Å; E573-R589 IonicContact OE2-CZ 2.84Å; E573-R589 IonicContact OE2-NE 2.61Å; E573-R589 IonicContact OE2-NH1 2.71Å; E573-R589 PolarHBondContact OE2-NH1 3.3Å; E573-K629 WeakPolarHBondContact OE1-CE 3.46Å; E573-K629 IonicContact OE1-NZ 3.33Å; E573-K629 PolarHBondContact OE1-NZ 3.23Å; E573-K629 WeakPolarHBondContact OE2-CE 3.25Å; E573-K629 IonicContact OE2-NZ 3.22Å; E573-K629 PolarHBondContact OE2-NZ 3.31Å
574	D	96.9	Very high	93.2	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	164.6	176.4	60.7	32	0	0	0	112.9	L572 G586 T587	L572-D574 WeakPolarHBondContact CD1-O 3.23Å; D574-G586 WeakPolarHBondContact O-CA 3.35Å; D574-T587 PolarHBondContact N-O 2.82Å; D574-T587 PolarHBondContact O-N 2.93Å; D574-T587 WeakPolarHBondContact OD1-CB 3.22Å; D574-T587 PolarHBondContact OD1-N 3Å; D574-T587 PolarHBondContact OD1-OG1 2.82Å; D574-T587 PolarHBondContact OD2-OG1 3.31Å
575	C	96.1	Very high	93.3	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	140.9	173.9	-153.7	0	0	0	0	110.7	L550 F552 Q554 L572 L584 T585	L550-C575 HydrophobicContact CD1-CB 4.18Å; L550-C575 VanDerWaalsContact CD1-O 3.29Å; L550-C575 WeakPolarHBondContact CD1-O 3.42Å; F552-C575 HydrophobicContact CE2-CB 4.19Å; F552-C575 HydrophobicContact CZ-CB 3.98Å; Q554-C575 PolarHBondContact NE2-O 3.33Å; Q554-C575 PolarHBondContact OE1-O 2.74Å; L572-C575 HydrophobicContact CD2-CB 4.21Å; C575-L584 WeakPolarHBondContact SG-CD1 3.33Å; C575-T585 CarbonylContact C-O 3.56Å; C575-T585 WeakPolarHBondContact CA-O 3.33Å; C575-T585 PolarHBondContact SG-O 3.27Å
576	H	94.4	Very high	93.3	Very high	110 Å²	110	49.6 Å²	49.6	51%	0.509	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.4	179.8	55	-75.8	0	0	0	110.2	T585	H576-T585 PolarHBondContact CD2-OG1 3.47Å; H576-T585 PolarHBondContact CE1-OG1 2.7Å; H576-T585 PolarHBondContact N-O 3.31Å; H576-T585 PolarHBondContact ND1-O 3.5Å; H576-T585 WeakPolarHBondContact NE2-CB 3.29Å; H576-T585 PolarHBondContact NE2-OG1 3.07Å; H576-T585 PolarHBondContact O-N 3.46Å; H576-T585 VanDerWaalsContact O-O 3.09Å
577	I	93.4	Very high	93.4	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.169	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.6	-176	-55.1	175.4	0	0	0	109.3	F548 L550 M579 I583 L584 F636 V671	F548-I577 HydrophobicContact CB-CD1 3.68Å; F548-I577 HydrophobicContact CB-CG2 4.27Å; L550-I577 HydrophobicContact CD2-CD1 3.81Å; L550-I577 HydrophobicContact CD2-CG1 4.14Å; L550-I577 HydrophobicContact CG-CD1 4.12Å; I577-M579 HydrophobicContact CB-SD 4.24Å; I577-M579 HydrophobicContact CG2-CG 4.5Å; I577-M579 HydrophobicContact CG2-SD 3.72Å; I577-M579 PolarHBondContact O-N 3.2Å; I577-I583 CarbonylContact C-O 3.6Å; I577-I583 WeakPolarHBondContact CA-O 3.48Å; I577-L584 HydrophobicContact CD1-CD1 4.18Å; I577-L584 HydrophobicContact CG1-CD1 3.65Å; I577-F636 HydrophobicContact CD1-CE2 4.49Å; I577-F636 HydrophobicContact CG2-CE2 4.38Å; I577-V671 HydrophobicContact CD1-CG1 3.85Å
578	D	88.7	Confident	93.5	Very high	53 Å²	53	42.7 Å²	42.7	28%	0.283	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	104.2	162.4	-177.2	-21.1	0	0	0	108.4	Q580 R581 C582 I583	D578-Q580 VanDerWaalsContact C-N 3.3Å; D578-Q580 PolarHBondContact O-N 3.48Å; D578-Q580 WeakPolarHBondContact OD1-CA 3.36Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.37Å; D578-Q580 PolarHBondContact OD1-N 2.82Å; D578-R581 HydrophobicContact CB-CB 4.37Å; D578-R581 PolarHBondContact O-N 2.84Å; D578-R581 PolarHBondContact OD1-N 3.22Å; D578-R581 VanDerWaalsContact OD1-N 3.11Å; D578-R581 WeakPolarHBondContact OD2-CD 3.17Å; D578-R581 VanDerWaalsContact OD2-CG 3.28Å; D578-R581 WeakPolarHBondContact OD2-CG 3.29Å; D578-R581 IonicContact OD2-NE 3.68Å; D578-R581 PolarHBondContact OD2-NE 3.24Å; D578-C582 WeakPolarHBondContact O-CA 3.41Å; D578-C582 PolarHBondContact O-N 2.96Å; D578-I583 HydrophobicContact CB-CB 4.37Å; D578-I583 PolarHBondContact N-O 3.24Å; D578-I583 PolarHBondContact O-N 3.34Å; D578-I583 VanDerWaalsContact O-N 3.16Å
579	M	83.6	Confident	93.6	Very high	74 Å²	74	42.3 Å²	42.3	37%	0.365	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.4	-178.6	-59.4	-68.4	-74.5	0	0	113.2	Q547 I577	Q547-M579 HydrophobicContact CB-CE 3.51Å; Q547-M579 HydrophobicContact CG-CE 3.49Å; Q547-M579 VanDerWaalsContact CG-CE 3.49Å; I577-M579 HydrophobicContact CB-SD 4.24Å; I577-M579 HydrophobicContact CG2-CG 4.5Å; I577-M579 HydrophobicContact CG2-SD 3.72Å; I577-M579 PolarHBondContact O-N 3.2Å
580	Q	77.3	Confident	93.7	Very high	178 Å²	178	41.4 Å²	41.4	83%	0.832	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-24.6	175.9	-59.7	-177.8	-1.8	0	0	111.6	D578	D578-Q580 VanDerWaalsContact C-N 3.3Å; D578-Q580 PolarHBondContact O-N 3.48Å; D578-Q580 WeakPolarHBondContact OD1-CA 3.36Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.37Å; D578-Q580 PolarHBondContact OD1-N 2.82Å
581	R	81.5	Confident	93.6	Very high	168 Å²	168	44.2 Å²	44.2	63%	0.634	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	-3.4	-175.3	-57	-176.9	-169	-99	-5.2	114.7	D578 I583	D578-R581 HydrophobicContact CB-CB 4.37Å; D578-R581 PolarHBondContact O-N 2.84Å; D578-R581 PolarHBondContact OD1-N 3.22Å; D578-R581 VanDerWaalsContact OD1-N 3.11Å; D578-R581 WeakPolarHBondContact OD2-CD 3.17Å; D578-R581 VanDerWaalsContact OD2-CG 3.28Å; D578-R581 WeakPolarHBondContact OD2-CG 3.29Å; D578-R581 IonicContact OD2-NE 3.68Å; D578-R581 PolarHBondContact OD2-NE 3.24Å; R581-I583 HydrophobicContact CB-CD1 3.69Å; R581-I583 HydrophobicContact CB-CG1 3.63Å; R581-I583 HydrophobicContact CG-CD1 4.5Å; R581-I583 WeakPolarHBondContact O-CG1 3.47Å; R581-I583 PolarHBondContact O-N 3.3Å
582	C	87.4	Confident	93.5	Very high	35 Å²	35	45.8 Å²	45.8	24%	0.236	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	36	-172.6	-56.8	0	0	0	0	113.2	F548 D578 F636	F548-C582 HydrophobicContact CE2-CB 4.07Å; D578-C582 WeakPolarHBondContact O-CA 3.41Å; D578-C582 PolarHBondContact O-N 2.96Å; C582-F636 HydrophobicContact CB-CB 4.43Å; C582-F636 WeakPolarHBondContact O-CD2 3.15Å; C582-F636 PolarHBondContact O-N 2.91Å
583	I	92.5	Very high	93.4	Very high	38 Å²	38	49.5 Å²	49.5	20%	0.195	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.4	-177.1	-52.2	179.7	0	0	0	110.3	I577 D578 R581 T585 L634 I635	I577-I583 CarbonylContact C-O 3.6Å; I577-I583 WeakPolarHBondContact CA-O 3.48Å; D578-I583 HydrophobicContact CB-CB 4.37Å; D578-I583 PolarHBondContact N-O 3.24Å; D578-I583 PolarHBondContact O-N 3.34Å; D578-I583 VanDerWaalsContact O-N 3.16Å; R581-I583 HydrophobicContact CB-CD1 3.69Å; R581-I583 HydrophobicContact CB-CG1 3.63Å; R581-I583 HydrophobicContact CG-CD1 4.5Å; R581-I583 WeakPolarHBondContact O-CG1 3.47Å; R581-I583 PolarHBondContact O-N 3.3Å; I583-T585 HydrophobicContact CG2-CG2 4.03Å; I583-L634 CarbonylContact C-O 3.51Å; I583-L634 WeakPolarHBondContact CA-O 3.27Å; I583-I635 HydrophobicContact CG1-CG1 4.3Å
584	L	96.2	Very high	93.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118	166.4	-175.7	74	0	0	0	109.4	L550 C575 I577 F632 S633 L634 F636 F648 V671	L550-L584 HydrophobicContact CD2-CD1 3.74Å; C575-L584 WeakPolarHBondContact SG-CD1 3.33Å; I577-L584 HydrophobicContact CD1-CD1 4.18Å; I577-L584 HydrophobicContact CG1-CD1 3.65Å; L584-F632 HydrophobicContact CD2-CE2 4.49Å; L584-F632 HydrophobicContact CG-CE2 4.43Å; L584-S633 CarbonylContact O-C 3.55Å; L584-S633 WeakPolarHBondContact O-CA 3.48Å; L584-L634 HydrophobicContact CB-CB 4.27Å; L584-L634 HydrophobicContact CD2-CD1 4.26Å; L584-L634 PolarHBondContact N-O 2.84Å; L584-L634 PolarHBondContact O-N 3.26Å; L584-F636 HydrophobicContact CB-CE1 4.29Å; L584-F636 HydrophobicContact CB-CE2 3.88Å; L584-F636 HydrophobicContact CB-CZ 3.63Å; L584-F636 HydrophobicContact CD1-CZ 4.06Å; L584-F636 HydrophobicContact CD2-CE1 4.25Å; L584-F636 HydrophobicContact CD2-CZ 3.94Å; L584-F636 HydrophobicContact CG-CZ 4.1Å; L584-F648 HydrophobicContact CD2-CD1 4.07Å; L584-F648 HydrophobicContact CD2-CE1 3.69Å; L584-F648 HydrophobicContact CD2-CZ 4.34Å; L584-V671 HydrophobicContact CD1-CG2 4.17Å; L584-V671 HydrophobicContact CD2-CG2 4.25Å
585	T	97.1	Very high	93	Very high	27 Å²	27	57.5 Å²	57.5	17%	0.166	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.8	179.4	29	0	0	0	0	110.6	C575 H576 I583 F632 S633	C575-T585 CarbonylContact C-O 3.56Å; C575-T585 WeakPolarHBondContact CA-O 3.33Å; C575-T585 PolarHBondContact SG-O 3.27Å; H576-T585 PolarHBondContact CD2-OG1 3.47Å; H576-T585 PolarHBondContact CE1-OG1 2.7Å; H576-T585 PolarHBondContact N-O 3.31Å; H576-T585 PolarHBondContact ND1-O 3.5Å; H576-T585 WeakPolarHBondContact NE2-CB 3.29Å; H576-T585 PolarHBondContact NE2-OG1 3.07Å; H576-T585 PolarHBondContact O-N 3.46Å; H576-T585 VanDerWaalsContact O-O 3.09Å; I583-T585 HydrophobicContact CG2-CG2 4.03Å; T585-F632 WeakPolarHBondContact CA-O 3.42Å; T585-S633 WeakPolarHBondContact CG2-OG 3.21Å
586	G	97.6	Very high	93	Very high	3 Å²	3	62.6 Å²	62.6	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	170.5	178.9	0	0	0	0	0	114	D574 S631 F632	D574-G586 WeakPolarHBondContact O-CA 3.35Å; G586-S631 WeakPolarHBondContact O-CA 3.41Å; G586-F632 VanDerWaalsContact C-CE1 3.46Å; G586-F632 PolarHBondContact N-O 2.72Å; G586-F632 VanDerWaalsContact O-CD1 3.22Å; G586-F632 WeakPolarHBondContact O-CD1 3.39Å; G586-F632 PolarHBondContact O-N 3.17Å
587	T	98.2	Very high	93.1	Very high	23 Å²	23	58.6 Å²	58.6	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.7	176.3	67.4	0	0	0	0	111.7	E573 D574 I619 F630	E573-T587 PolarHBondContact N-O 2.84Å; D574-T587 PolarHBondContact N-O 2.82Å; D574-T587 PolarHBondContact O-N 2.93Å; D574-T587 WeakPolarHBondContact OD1-CB 3.22Å; D574-T587 PolarHBondContact OD1-N 3Å; D574-T587 PolarHBondContact OD1-OG1 2.82Å; D574-T587 PolarHBondContact OD2-OG1 3.31Å; T587-I619 HydrophobicContact CG2-CD1 3.91Å; T587-F630 CarbonylContact C-O 3.42Å; T587-F630 WeakPolarHBondContact CA-O 3.38Å
588	I	98.5	Very high	93.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.3	-176.3	-61.5	170.1	0	0	0	107	V570 L572 V590 V599 I601 K629 F630 F632 I650	V570-I588 HydrophobicContact CG2-CG2 3.84Å; L572-I588 HydrophobicContact CD1-CG1 4.14Å; I588-V590 HydrophobicContact CG2-CG1 4.22Å; I588-V599 HydrophobicContact CD1-CG1 3.92Å; I588-V599 HydrophobicContact CG2-CG1 4.08Å; I588-I601 HydrophobicContact CD1-CD1 3.65Å; I588-I601 HydrophobicContact CD1-CG1 3.77Å; I588-K629 CarbonylContact O-C 3.48Å; I588-K629 WeakPolarHBondContact O-CA 3.41Å; I588-F630 HydrophobicContact CB-CB 4.44Å; I588-F630 PolarHBondContact N-O 3.03Å; I588-F630 PolarHBondContact O-N 3.42Å; I588-F632 HydrophobicContact CD1-CD1 3.54Å; I588-F632 HydrophobicContact CD1-CE1 3.89Å; I588-F632 HydrophobicContact CD1-CG 4.46Å; I588-F632 HydrophobicContact CG1-CD1 3.79Å; I588-F632 HydrophobicContact CG1-CE1 3.81Å; I588-I650 HydrophobicContact CD1-CD1 3.88Å; I588-I650 HydrophobicContact CD1-CG1 3.94Å; I588-I650 HydrophobicContact CD1-CG2 3.92Å; I588-I650 HydrophobicContact CG1-CD1 3.81Å; I588-I650 HydrophobicContact CG1-CG1 4.44Å; I588-I650 HydrophobicContact CG2-CD1 4.22Å; I588-I650 HydrophobicContact CG2-CG2 4Å
589	R	98.1	Very high	93.8	Very high	36 Å²	36	58.9 Å²	58.9	14%	0.136	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.5	176.2	-155.9	-179.9	-162.5	132.5	-12.1	110.4	F561 V565 V570 C571 E573 D624 T627 D628 K629	F561-R589 HydrophobicContact CE1-CB 4.41Å; F561-R589 HydrophobicContact CZ-CB 3.83Å; V565-R589 HydrophobicContact CG1-CB 4.34Å; V565-R589 HydrophobicContact CG1-CG 4.19Å; V565-R589 HydrophobicContact CG2-CB 4.02Å; V565-R589 HydrophobicContact CG2-CG 4.43Å; V570-R589 WeakPolarHBondContact CA-O 3.14Å; C571-R589 PolarHBondContact N-O 3.22Å; C571-R589 PolarHBondContact O-N 3.49Å; E573-R589 IonicContact OE1-NH1 3.87Å; E573-R589 PolarHBondContact OE1-NH1 2.86Å; E573-R589 WeakPolarHBondContact OE2-CD 3.36Å; E573-R589 IonicContact OE2-CZ 2.84Å; E573-R589 IonicContact OE2-NE 2.61Å; E573-R589 IonicContact OE2-NH1 2.71Å; E573-R589 PolarHBondContact OE2-NH1 3.3Å; R589-D624 IonicContact CZ-OD2 3.87Å; R589-D624 IonicContact NE-OD2 3.95Å; R589-D624 IonicContact NH2-OD2 3.01Å; R589-D624 PolarHBondContact NH2-OD2 2.93Å; R589-T627 PolarHBondContact NE-OG1 2.95Å; R589-D628 WeakPolarHBondContact CA-O 3.43Å; R589-K629 HydrophobicContact CG-CG 4.34Å
590	V	98.1	Very high	94.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.2	179.3	-60.9	0	0	0	0	110.9	N569 V570 I588 K597 V599 T627 D628 F630 Y652	N569-V590 WeakPolarHBondContact O-CA 3.37Å; V570-V590 HydrophobicContact CB-CG1 4.07Å; V570-V590 HydrophobicContact CG2-CG1 3.88Å; I588-V590 HydrophobicContact CG2-CG1 4.22Å; V590-K597 HydrophobicContact CG2-CD 3.93Å; V590-V599 HydrophobicContact CG1-CG2 3.81Å; V590-T627 CarbonylContact O-C 3.52Å; V590-T627 WeakPolarHBondContact O-CA 2.99Å; V590-T627 WeakPolarHBondContact O-CB 3.18Å; V590-D628 HydrophobicContact CG2-CB 3.95Å; V590-D628 PolarHBondContact N-O 3.5Å; V590-D628 PolarHBondContact O-N 2.92Å; V590-F630 HydrophobicContact CG2-CD2 3.83Å; V590-F630 HydrophobicContact CG2-CE2 3.59Å; V590-Y652 HydrophobicContact CB-CD1 3.79Å; V590-Y652 HydrophobicContact CB-CE1 3.81Å; V590-Y652 HydrophobicContact CB-CG 4.16Å; V590-Y652 HydrophobicContact CG1-CD1 3.86Å; V590-Y652 HydrophobicContact CG1-CD2 4.25Å; V590-Y652 HydrophobicContact CG1-CE1 4.37Å; V590-Y652 HydrophobicContact CG1-CG 3.8Å; V590-Y652 HydrophobicContact CG2-CE1 4.41Å
591	K	97.6	Very high	95.5	Very high	59 Å²	59	47.7 Å²	47.7	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.4	173.2	-172.9	-177.4	-175.5	172.7	0	109.8	L566 N569 F593 Y652	L566-K591 HydrophobicContact CD2-CG 4.36Å; L566-K591 PolarHBondContact O-NZ 2.76Å; N569-K591 HydrophobicContact CB-CB 4.31Å; N569-K591 HydrophobicContact CB-CD 4.42Å; N569-K591 PolarHBondContact O-N 2.82Å; N569-K591 WeakPolarHBondContact OD1-CD 3.34Å; N569-K591 PolarHBondContact OD1-NZ 2.79Å; N569-K591 VanDerWaalsContact OD1-NZ 3.14Å; K591-F593 HydrophobicContact CB-CE2 4.45Å; K591-F593 HydrophobicContact CD-CE1 4.27Å; K591-F593 HydrophobicContact CD-CE2 4.28Å; K591-F593 HydrophobicContact CD-CZ 3.81Å; K591-F593 HydrophobicContact CG-CZ 4.43Å; K591-F593 PolarHBondContact O-N 2.87Å; K591-Y652 WeakPolarHBondContact O-CE1 3.41Å; K591-Y652 PolarHBondContact O-OH 2.87Å
592	S	95.6	Very high	96.2	Very high	33 Å²	33	42.4 Å²	42.4	23%	0.231	20%	0.204	C	C	.	.			trans	-83	104.7	-172.6	-148.4	0	0	0	0	111.8	K597 V626 D628	S592-K597 WeakPolarHBondContact OG-CE 3.33Å; S592-K597 PolarHBondContact OG-NZ 2.77Å; S592-K597 VanDerWaalsContact OG-NZ 3.16Å; S592-V626 PolarHBondContact N-O 2.91Å; S592-D628 WeakPolarHBondContact CB-OD2 3.38Å; S592-D628 PolarHBondContact OG-OD2 3Å
593	F	94.4	Very high	96.7	Very high	79 Å²	79	40.9 Å²	40.9	35%	0.346	19%	0.193	S	C	.	.	S	Bend	trans	-96.4	-6.3	173.5	-68.1	-67.5	0	0	0	114.2	N569 K591 Y652 T654 H655 F660	N569-F593 HydrophobicContact CB-CE2 3.84Å; N569-F593 HydrophobicContact CB-CZ 4.26Å; K591-F593 HydrophobicContact CB-CE2 4.45Å; K591-F593 HydrophobicContact CD-CE1 4.27Å; K591-F593 HydrophobicContact CD-CE2 4.28Å; K591-F593 HydrophobicContact CD-CZ 3.81Å; K591-F593 HydrophobicContact CG-CZ 4.43Å; K591-F593 PolarHBondContact O-N 2.87Å; F593-Y652 AromaticContact CD2-CE1 3.97Å; F593-Y652 HydrophobicContact CD2-CE1 3.97Å; F593-Y652 HydrophobicContact CE2-CE1 4.33Å; F593-T654 HydrophobicContact CB-CG2 4.25Å; F593-T654 HydrophobicContact CD2-CG2 3.71Å; F593-T654 HydrophobicContact CE2-CG2 4.47Å; F593-T654 HydrophobicContact CG-CG2 4.35Å; F593-H655 PolarHBondContact O-CE1 3.16Å; F593-F660 HydrophobicContact CD2-CE2 4.13Å; F593-F660 HydrophobicContact CE2-CD2 4.2Å; F593-F660 AromaticContact CE2-CE2 3.53Å; F593-F660 HydrophobicContact CE2-CE2 3.53Å; F593-F660 HydrophobicContact CE2-CZ 4.08Å; F593-F660 HydrophobicContact CZ-CE2 4.27Å; F593-F660 HydrophobicContact CZ-CZ 4.38Å
594	G	92.9	Very high	96.9	Very high	26 Å²	26	39.1 Å²	39.1	27%	0.268	18%	0.184	S	C	.	.			trans	164.9	179.3	-173.8	0	0	0	0	0	111.6	K597	G594-K597 WeakPolarHBondContact O-CE 3.43Å; G594-K597 PolarHBondContact O-NZ 3.06Å
595	Y	94.3	Very high	96.8	Very high	228 Å²	228	41.6 Å²	41.6	89%	0.894	19%	0.194	S	C	*	.	S	Bend	trans	-71.1	-49.5	179.2	-179	-99.4	0	0	0	112.1	K597	Y595-K597 PolarHBondContact O-N 2.74Å
596	E	95.9	Very high	96.6	Very high	111 Å²	111	43 Å²	43	52%	0.519	20%	0.2	S	C	.	.			trans	-74.9	122.9	-179.5	-179	169.2	-132.1	0	0	111.3	H655	E596-H655 HydrophobicContact CB-CB 4.01Å; E596-H655 HydrophobicContact CG-CB 4.45Å; E596-H655 PolarHBondContact O-N 2.87Å
597	K	96.6	Very high	96.3	Very high	27 Å²	27	48.7 Å²	48.7	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	132.6	-174.6	-60.1	-170.1	-171.1	80.4	0	109.1	V590 S592 G594 Y595 D628 F630 Y652	V590-K597 HydrophobicContact CG2-CD 3.93Å; S592-K597 WeakPolarHBondContact OG-CE 3.33Å; S592-K597 PolarHBondContact OG-NZ 2.77Å; S592-K597 VanDerWaalsContact OG-NZ 3.16Å; G594-K597 WeakPolarHBondContact O-CE 3.43Å; G594-K597 PolarHBondContact O-NZ 3.06Å; Y595-K597 PolarHBondContact O-N 2.74Å; K597-D628 WeakPolarHBondContact CE-OD2 3.16Å; K597-D628 VanDerWaalsContact NZ-CG 3.33Å; K597-D628 IonicContact NZ-OD1 3.62Å; K597-D628 IonicContact NZ-OD2 2.72Å; K597-D628 PolarHBondContact NZ-OD2 3.29Å; K597-F630 HydrophobicContact CB-CZ 3.87Å; K597-F630 HydrophobicContact CD-CE2 3.96Å; K597-F630 HydrophobicContact CD-CZ 3.99Å; K597-Y652 HydrophobicContact CB-CE2 3.76Å; K597-Y652 HydrophobicContact CD-CE2 4.04Å; K597-Y652 HydrophobicContact CG-CE2 3.85Å
598	H	97.6	Very high	96.2	Very high	91 Å²	91	51.5 Å²	51.5	42%	0.421	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.9	171.2	-60.3	-63.8	0	0	0	109.4	E653	H598-E653 HydrophobicContact CB-CB 4.25Å; H598-E653 PolarHBondContact N-O 3.01Å; H598-E653 PolarHBondContact O-N 2.85Å
599	V	98.3	Very high	96	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.8	176.5	178.8	0	0	0	0	107.8	I588 V590 A616 F630 I650 R651 Y652	I588-V599 HydrophobicContact CD1-CG1 3.92Å; I588-V599 HydrophobicContact CG2-CG1 4.08Å; V590-V599 HydrophobicContact CG1-CG2 3.81Å; V599-A616 HydrophobicContact CB-CB 4.01Å; V599-A616 HydrophobicContact CG1-CB 3.82Å; V599-A616 PolarHBondContact O-N 3.25Å; V599-F630 HydrophobicContact CB-CB 4.45Å; V599-F630 HydrophobicContact CB-CD1 4.02Å; V599-F630 HydrophobicContact CB-CE1 4.49Å; V599-F630 HydrophobicContact CB-CG 4.13Å; V599-F630 HydrophobicContact CG1-CB 4.41Å; V599-F630 HydrophobicContact CG2-CD1 3.94Å; V599-F630 HydrophobicContact CG2-CD2 3.9Å; V599-F630 HydrophobicContact CG2-CE1 4.12Å; V599-F630 HydrophobicContact CG2-CE2 4.1Å; V599-F630 HydrophobicContact CG2-CG 3.85Å; V599-F630 HydrophobicContact CG2-CZ 4.21Å; V599-I650 HydrophobicContact CG1-CG2 4.02Å; V599-R651 WeakPolarHBondContact CA-O 3.42Å; V599-Y652 HydrophobicContact CG2-CD2 3.93Å; V599-Y652 HydrophobicContact CG2-CG 4.46Å
600	T	98.3	Very high	95.9	Very high	17 Å²	17	59.6 Å²	59.6	10%	0.104	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.4	-178.8	63.5	0	0	0	0	110.8	T614 R651	T600-T614 CarbonylContact C-O 3.54Å; T600-T614 VanDerWaalsContact CA-O 3.28Å; T600-T614 WeakPolarHBondContact CA-O 3.26Å; T600-R651 PolarHBondContact N-O 2.81Å; T600-R651 PolarHBondContact O-N 3.47Å; T600-R651 PolarHBondContact OG1-NE 3.48Å; T600-R651 VanDerWaalsContact OG1-NE 3.08Å; T600-R651 PolarHBondContact OG1-NH2 2.83Å
601	I	98.3	Very high	95.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.1	173.3	-55.3	77.2	0	0	0	107.4	I588 D613 T614 A616 F632 L634 F648 I650	I588-I601 HydrophobicContact CD1-CD1 3.65Å; I588-I601 HydrophobicContact CD1-CG1 3.77Å; I601-D613 WeakPolarHBondContact O-CA 3.43Å; I601-T614 PolarHBondContact N-O 2.9Å; I601-T614 PolarHBondContact O-N 2.86Å; I601-A616 HydrophobicContact CD1-CB 3.84Å; I601-F632 HydrophobicContact CD1-CB 3.49Å; I601-F632 VanDerWaalsContact CD1-CB 3.49Å; I601-F632 HydrophobicContact CD1-CD1 4.08Å; I601-F632 HydrophobicContact CD1-CD2 4.39Å; I601-F632 HydrophobicContact CD1-CG 3.74Å; I601-F632 HydrophobicContact CG1-CB 4.29Å; I601-F632 HydrophobicContact CG1-CD1 4.23Å; I601-F632 HydrophobicContact CG1-CD2 4.29Å; I601-F632 HydrophobicContact CG1-CG 4.01Å; I601-L634 HydrophobicContact CB-CD1 4.4Å; I601-L634 HydrophobicContact CG2-CD1 3.87Å; I601-F648 HydrophobicContact CG2-CB 3.85Å; I601-F648 HydrophobicContact CG2-CD2 3.61Å; I601-F648 HydrophobicContact CG2-CE2 4.48Å; I601-F648 HydrophobicContact CG2-CG 4.04Å; I601-I650 HydrophobicContact CG1-CG1 4.36Å
602	R	97.9	Very high	95.7	Very high	57 Å²	57	67 Å²	67	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.3	172	-178.6	170.6	-71.3	172.3	-0.7	108.9	W608 F611 F612 D613 F648 A649 W661	R602-W608 HydrophobicContact CB-CZ3 4.45Å; R602-W608 HydrophobicContact CG-CZ3 3.78Å; R602-F611 HydrophobicContact CG-CB 3.74Å; R602-F611 HydrophobicContact CG-CD2 3.8Å; R602-F611 HydrophobicContact CG-CG 3.97Å; R602-F611 VanDerWaalsContact NE-CD2 3.29Å; R602-F612 WeakPolarHBondContact CA-O 3.42Å; R602-D613 WeakPolarHBondContact CB-OD1 3.29Å; R602-D613 VanDerWaalsContact CG-OD1 3.22Å; R602-D613 WeakPolarHBondContact CG-OD1 3.36Å; R602-D613 IonicContact CZ-OD1 3.49Å; R602-D613 IonicContact CZ-OD2 3.61Å; R602-D613 IonicContact NE-OD1 2.7Å; R602-D613 PolarHBondContact NE-OD1 3.07Å; R602-D613 IonicContact NE-OD2 3.61Å; R602-D613 IonicContact NH2-OD1 3.4Å; R602-D613 PolarHBondContact NH2-OD1 2.72Å; R602-D613 IonicContact NH2-OD2 2.74Å; R602-D613 PolarHBondContact NH2-OD2 2.57Å; R602-F648 CarbonylContact O-C 3.53Å; R602-F648 WeakPolarHBondContact O-CA 3.25Å; R602-F648 WeakPolarHBondContact O-CB 3.41Å; R602-A649 PolarHBondContact N-O 3.35Å; R602-A649 PolarHBondContact O-N 2.86Å; R602-W661 HydrophobicContact CB-CZ3 4.42Å
603	I	97.3	Very high	95.8	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.1	179.3	-172.4	159.4	0	0	0	111.4	Y605 F611 F612 L634 F636 A646 Q647 F648	I603-Y605 HydrophobicContact CD1-CE1 3.86Å; I603-Y605 WeakPolarHBondContact CD1-OH 3.48Å; I603-Y605 HydrophobicContact CG1-CE1 4Å; I603-F611 CarbonylContact O-C 3.58Å; I603-F611 WeakPolarHBondContact O-CA 3.17Å; I603-F612 HydrophobicContact CG2-CB 4.08Å; I603-F612 PolarHBondContact N-O 2.94Å; I603-F612 PolarHBondContact O-N 2.88Å; I603-L634 HydrophobicContact CD1-CD1 4.05Å; I603-L634 HydrophobicContact CG2-CD2 4.24Å; I603-F636 HydrophobicContact CD1-CE1 4.44Å; I603-A646 HydrophobicContact CD1-CB 4.28Å; I603-Q647 CarbonylContact C-O 3.56Å; I603-Q647 WeakPolarHBondContact CA-O 3.38Å; I603-F648 HydrophobicContact CB-CB 4.05Å; I603-F648 HydrophobicContact CG1-CB 4.21Å
604	T	96.5	Very high	95.9	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.1	173.3	-176.5	0	0	0	0	110.7	N606 W608 T610 A646 Q647	T604-N606 PolarHBondContact OG1-N 3.08Å; T604-N606 PolarHBondContact OG1-OD1 3.24Å; T604-W608 HydrophobicContact CG2-CB 4.48Å; T604-W608 HydrophobicContact CG2-CD2 3.54Å; T604-W608 HydrophobicContact CG2-CE3 4.08Å; T604-W608 HydrophobicContact CG2-CG 3.75Å; T604-W608 HydrophobicContact CG2-CH2 4.48Å; T604-W608 HydrophobicContact CG2-CZ2 3.99Å; T604-W608 WeakPolarHBondContact OG1-CA 3.24Å; T604-W608 PolarHBondContact OG1-N 2.89Å; T604-T610 VanDerWaalsContact CB-O 3.25Å; T604-T610 WeakPolarHBondContact CB-O 3.34Å; T604-T610 PolarHBondContact OG1-O 3Å; T604-A646 WeakPolarHBondContact O-CA 3.49Å; T604-Q647 HydrophobicContact CG2-CB 3.89Å; T604-Q647 PolarHBondContact N-O 2.85Å; T604-Q647 PolarHBondContact O-N 2.79Å
605	Y	94.6	Very high	96.2	Very high	53 Å²	53	70 Å²	70	21%	0.208	34%	0.337	C	S	.	.	S	Bend	trans	-119.5	3.4	175.8	-53	-67.8	0	0	0	112.3	I603 F612 F636 P637 M640 A646	I603-Y605 HydrophobicContact CD1-CE1 3.86Å; I603-Y605 WeakPolarHBondContact CD1-OH 3.48Å; I603-Y605 HydrophobicContact CG1-CE1 4Å; Y605-F612 HydrophobicContact CD2-CD2 4.33Å; Y605-F612 HydrophobicContact CD2-CE2 4.06Å; Y605-F612 HydrophobicContact CE2-CD2 4.04Å; Y605-F612 HydrophobicContact CE2-CE2 4.1Å; Y605-F636 HydrophobicContact CE1-CD1 4.13Å; Y605-P637 HydrophobicContact CD2-CG 4.08Å; Y605-P637 HydrophobicContact CE1-CG 4.36Å; Y605-P637 HydrophobicContact CE2-CG 3.86Å; Y605-P637 HydrophobicContact CG-CG 4.42Å; Y605-P637 VanDerWaalsContact CZ-CD 3.44Å; Y605-M640 HydrophobicContact CD1-CE 4.32Å; Y605-M640 HydrophobicContact CD1-CG 4.27Å; Y605-M640 HydrophobicContact CD1-SD 3.6Å; Y605-M640 HydrophobicContact CE1-SD 3.77Å; Y605-A646 HydrophobicContact CD1-CB 3.7Å; Y605-A646 HydrophobicContact CE1-CB 3.65Å
606	N	92.6	Very high	96.4	Very high	56 Å²	56	59.4 Å²	59.4	30%	0.299	30%	0.296	S	S	.	.	S	Bend	trans	-146.5	50.8	-171.3	60.8	-1.4	0	0	0	112.1	T604 W608 I609 T610	T604-N606 PolarHBondContact OG1-N 3.08Å; T604-N606 PolarHBondContact OG1-OD1 3.24Å; N606-W608 VanDerWaalsContact C-N 3.27Å; N606-W608 PolarHBondContact O-N 2.87Å; N606-I609 WeakPolarHBondContact O-CB 3.36Å; N606-I609 VanDerWaalsContact O-CG1 3.29Å; N606-I609 WeakPolarHBondContact O-CG1 3.49Å; N606-I609 PolarHBondContact O-N 2.89Å; N606-I609 VanDerWaalsContact O-N 3.14Å; N606-T610 VanDerWaalsContact CG-OG1 3.29Å; N606-T610 PolarHBondContact ND2-OG1 2.85Å; N606-T610 PolarHBondContact OD1-N 3.5Å; N606-T610 PolarHBondContact OD1-O 3.42Å; N606-T610 VanDerWaalsContact OD1-O 3.1Å; N606-T610 PolarHBondContact OD1-OG1 2.83Å
607	N	92.1	Very high	96.5	Very high	122 Å²	122	57.8 Å²	57.8	65%	0.652	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	44.1	175.9	-63.4	-28.5	0	0	0	113.6	I609	N607-I609 PolarHBondContact O-N 2.96Å
608	W	94.3	Very high	96.5	Very high	82 Å²	82	60.7 Å²	60.7	31%	0.311	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	12.1	176.6	-54.2	86.2	0	0	0	115.8	R602 T604 N606 Q647 A649 N668	R602-W608 HydrophobicContact CB-CZ3 4.45Å; R602-W608 HydrophobicContact CG-CZ3 3.78Å; T604-W608 HydrophobicContact CG2-CB 4.48Å; T604-W608 HydrophobicContact CG2-CD2 3.54Å; T604-W608 HydrophobicContact CG2-CE3 4.08Å; T604-W608 HydrophobicContact CG2-CG 3.75Å; T604-W608 HydrophobicContact CG2-CH2 4.48Å; T604-W608 HydrophobicContact CG2-CZ2 3.99Å; T604-W608 WeakPolarHBondContact OG1-CA 3.24Å; T604-W608 PolarHBondContact OG1-N 2.89Å; N606-W608 VanDerWaalsContact C-N 3.27Å; N606-W608 PolarHBondContact O-N 2.87Å; W608-Q647 HydrophobicContact CZ2-CB 4.07Å; W608-A649 HydrophobicContact CH2-CB 3.93Å; W608-N668 HydrophobicContact CZ2-CB 4.34Å; W608-N668 PolarHBondContact NE1-ND2 3.02Å
609	I	94.9	Very high	96.5	Very high	142 Å²	142	58.9 Å²	58.9	73%	0.728	30%	0.301	S	S	*	.	S	Bend	trans	-64.7	-41.3	171.3	-63.2	169.5	0	0	0	110.6	N606 N607	N606-I609 WeakPolarHBondContact O-CB 3.36Å; N606-I609 VanDerWaalsContact O-CG1 3.29Å; N606-I609 WeakPolarHBondContact O-CG1 3.49Å; N606-I609 PolarHBondContact O-N 2.89Å; N606-I609 VanDerWaalsContact O-N 3.14Å; N607-I609 PolarHBondContact O-N 2.96Å
610	T	95.4	Very high	96.5	Very high	65 Å²	65	67 Å²	67	40%	0.399	34%	0.339	S	S	.	.	S	Bend	trans	-128.3	153.8	167.3	60.4	0	0	0	0	110.1	T604 N606	T604-T610 VanDerWaalsContact CB-O 3.25Å; T604-T610 WeakPolarHBondContact CB-O 3.34Å; T604-T610 PolarHBondContact OG1-O 3Å; N606-T610 VanDerWaalsContact CG-OG1 3.29Å; N606-T610 PolarHBondContact ND2-OG1 2.85Å; N606-T610 PolarHBondContact OD1-N 3.5Å; N606-T610 PolarHBondContact OD1-O 3.42Å; N606-T610 VanDerWaalsContact OD1-O 3.1Å; N606-T610 PolarHBondContact OD1-OG1 2.83Å
611	F	96.5	Very high	96.2	Very high	102 Å²	102	69.2 Å²	69.2	45%	0.447	37%	0.366	S	S	.	.			trans	-145.5	158	178.2	61.3	-94.7	0	0	0	111.2	R602 I603	R602-F611 HydrophobicContact CG-CB 3.74Å; R602-F611 HydrophobicContact CG-CD2 3.8Å; R602-F611 HydrophobicContact CG-CG 3.97Å; R602-F611 VanDerWaalsContact NE-CD2 3.29Å; I603-F611 CarbonylContact O-C 3.58Å; I603-F611 WeakPolarHBondContact O-CA 3.17Å
612	F	96.4	Very high	96.1	Very high	113 Å²	113	70.2 Å²	70.2	50%	0.496	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.8	176.6	-55.4	-86.1	0	0	0	109.1	R602 I603 Y605	R602-F612 WeakPolarHBondContact CA-O 3.42Å; I603-F612 HydrophobicContact CG2-CB 4.08Å; I603-F612 PolarHBondContact N-O 2.94Å; I603-F612 PolarHBondContact O-N 2.88Å; Y605-F612 HydrophobicContact CD2-CD2 4.33Å; Y605-F612 HydrophobicContact CD2-CE2 4.06Å; Y605-F612 HydrophobicContact CE2-CD2 4.04Å; Y605-F612 HydrophobicContact CE2-CE2 4.1Å
613	D	97.3	Very high	96	Very high	71 Å²	71	73.6 Å²	73.6	38%	0.38	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.4	177	-72.7	-3.5	0	0	0	109.4	I601 R602	I601-D613 WeakPolarHBondContact O-CA 3.43Å; R602-D613 WeakPolarHBondContact CB-OD1 3.29Å; R602-D613 VanDerWaalsContact CG-OD1 3.22Å; R602-D613 WeakPolarHBondContact CG-OD1 3.36Å; R602-D613 IonicContact CZ-OD1 3.49Å; R602-D613 IonicContact CZ-OD2 3.61Å; R602-D613 IonicContact NE-OD1 2.7Å; R602-D613 PolarHBondContact NE-OD1 3.07Å; R602-D613 IonicContact NE-OD2 3.61Å; R602-D613 IonicContact NH2-OD1 3.4Å; R602-D613 PolarHBondContact NH2-OD1 2.72Å; R602-D613 IonicContact NH2-OD2 2.74Å; R602-D613 PolarHBondContact NH2-OD2 2.57Å
614	T	97.3	Very high	95.9	Very high	48 Å²	48	77.4 Å²	77.4	29%	0.294	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.8	176.8	-61.8	0	0	0	0	109.9	T600 I601 L634	T600-T614 CarbonylContact C-O 3.54Å; T600-T614 VanDerWaalsContact CA-O 3.28Å; T600-T614 WeakPolarHBondContact CA-O 3.26Å; I601-T614 PolarHBondContact N-O 2.9Å; I601-T614 PolarHBondContact O-N 2.86Å; T614-L634 HydrophobicContact CG2-CD2 3.99Å; T614-L634 WeakPolarHBondContact OG1-CD2 3.47Å
615	S	97.8	Very high	95.7	Very high	80 Å²	80	79.3 Å²	79.3	56%	0.559	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	134.2	176.6	-167	0	0	0	0	110.7
616	A	98.2	Very high	95.8	Very high	6 Å²	6	80.6 Å²	80.6	5%	0.05	44%	0.44	C	S	.	.			trans	-74.3	160.9	161.7	0	0	0	0	0	110.2	V599 I601 F630 S631 F632	V599-A616 HydrophobicContact CB-CB 4.01Å; V599-A616 HydrophobicContact CG1-CB 3.82Å; V599-A616 PolarHBondContact O-N 3.25Å; I601-A616 HydrophobicContact CD1-CB 3.84Å; A616-F630 HydrophobicContact CB-CB 3.87Å; A616-F630 HydrophobicContact CB-CD1 4.32Å; A616-S631 CarbonylContact C-O 3.48Å; A616-S631 VanDerWaalsContact CA-O 3.29Å; A616-S631 WeakPolarHBondContact CA-O 3.21Å; A616-S631 WeakPolarHBondContact CB-O 3.12Å; A616-F632 HydrophobicContact CB-CB 4.3Å
617	S	97.9	Very high	96	Very high	77 Å²	77	78.1 Å²	78.1	54%	0.538	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.9	174.1	-65.4	0	0	0	0	110.3	F630 S631	S617-F630 CarbonylContact O-C 3.54Å; S617-F630 WeakPolarHBondContact O-CA 3.22Å; S617-S631 PolarHBondContact N-O 3.08Å; S617-S631 PolarHBondContact O-N 2.86Å
618	Y	98	Very high	96.3	Very high	89 Å²	89	72.6 Å²	72.6	35%	0.349	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.7	176.3	175	-117.5	0	0	0	111.3	Q620 S622 Y623 D628 K629 F630	Y618-Q620 PolarHBondContact O-N 2.69Å; Y618-S622 VanDerWaalsContact CE2-OG 3.22Å; Y618-S622 WeakPolarHBondContact CE2-OG 3.28Å; Y618-Y623 PolarHBondContact OH-N 2.86Å; Y618-D628 HydrophobicContact CD2-CB 4.48Å; Y618-D628 HydrophobicContact CE2-CB 3.95Å; Y618-D628 VanDerWaalsContact CE2-OD1 3.26Å; Y618-D628 WeakPolarHBondContact CE2-OD1 3.38Å; Y618-D628 PolarHBondContact OH-OD1 2.97Å; Y618-K629 WeakPolarHBondContact CD2-O 3.35Å; Y618-F630 HydrophobicContact CD2-CD2 4.44Å; Y618-F630 HydrophobicContact CD2-CE1 4.41Å; Y618-F630 AromaticContact CD2-CE2 3.97Å; Y618-F630 HydrophobicContact CD2-CE2 3.97Å; Y618-F630 AromaticContact CD2-CZ 3.95Å; Y618-F630 HydrophobicContact CD2-CZ 3.95Å; Y618-F630 HydrophobicContact CG-CZ 4.45Å
619	I	97.8	Very high	96.5	Very high	52 Å²	52	71.2 Å²	71.2	27%	0.267	39%	0.393	S	S	.	.			trans	-85.2	112	174.4	-58.6	-179.5	0	0	0	108.2	T587 G621 S622 K629	T587-I619 HydrophobicContact CG2-CD1 3.91Å; I619-G621 PolarHBondContact O-N 3.15Å; I619-S622 WeakPolarHBondContact O-CB 3.46Å; I619-S622 PolarHBondContact O-N 2.83Å; I619-S622 VanDerWaalsContact O-N 3.07Å; I619-S622 PolarHBondContact O-OG 3.3Å; I619-K629 HydrophobicContact CB-CB 4.28Å; I619-K629 HydrophobicContact CD1-CB 3.87Å; I619-K629 HydrophobicContact CG1-CB 4.36Å; I619-K629 PolarHBondContact N-O 2.93Å
620	Q	96.5	Very high	96.6	Very high	171 Å²	171	65 Å²	65	80%	0.799	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	127.4	-174.8	-175.7	59	25.5	0	0	111.9	Y618 S622	Y618-Q620 PolarHBondContact O-N 2.69Å; Q620-S622 VanDerWaalsContact C-N 3.31Å
621	G	93.9	Very high	96.8	Very high	65 Å²	65	64.2 Å²	64.2	67%	0.67	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	10.9	-179	0	0	0	0	0	115	I619 Y623	I619-G621 PolarHBondContact O-N 3.15Å; G621-Y623 VanDerWaalsContact C-N 3.32Å
622	S	95.7	Very high	96.9	Very high	21 Å²	21	59.6 Å²	59.6	15%	0.147	34%	0.338	C	S	.	.			trans	-80.9	-5.2	178.8	66.8	0	0	0	0	115.5	Y618 I619 Q620 D624 K629	Y618-S622 VanDerWaalsContact CE2-OG 3.22Å; Y618-S622 WeakPolarHBondContact CE2-OG 3.28Å; I619-S622 WeakPolarHBondContact O-CB 3.46Å; I619-S622 PolarHBondContact O-N 2.83Å; I619-S622 VanDerWaalsContact O-N 3.07Å; I619-S622 PolarHBondContact O-OG 3.3Å; Q620-S622 VanDerWaalsContact C-N 3.31Å; S622-D624 PolarHBondContact O-N 3.05Å; S622-K629 PolarHBondContact OG-N 2.94Å; S622-K629 PolarHBondContact OG-O 3.15Å
623	Y	96.3	Very high	96.9	Very high	127 Å²	127	57.9 Å²	57.9	50%	0.498	34%	0.34	S	S	.	.			trans	-67.9	114.5	177.2	179.5	-124.7	0	0	0	111.6	Y618 G621 G625 T627	Y618-Y623 PolarHBondContact OH-N 2.86Å; G621-Y623 VanDerWaalsContact C-N 3.32Å; Y623-G625 VanDerWaalsContact CE2-C 3.42Å; Y623-G625 PolarHBondContact OH-O 2.72Å; Y623-T627 WeakPolarHBondContact CA-O 3.45Å; Y623-T627 WeakPolarHBondContact CD2-O 3.37Å
624	D	93.8	Very high	96.8	Very high	82 Å²	82	54.8 Å²	54.8	44%	0.439	32%	0.323	S	S	.	.			trans	-95.5	10	-179.4	68.5	12.6	0	0	0	114	R589 S622 V626 T627	R589-D624 IonicContact CZ-OD2 3.87Å; R589-D624 IonicContact NE-OD2 3.95Å; R589-D624 IonicContact NH2-OD2 3.01Å; R589-D624 PolarHBondContact NH2-OD2 2.93Å; S622-D624 PolarHBondContact O-N 3.05Å; D624-V626 PolarHBondContact OD1-N 3.34Å; D624-T627 VanDerWaalsContact CG-OG1 3.24Å; D624-T627 PolarHBondContact N-O 2.91Å; D624-T627 VanDerWaalsContact N-O 3.07Å; D624-T627 PolarHBondContact OD1-N 2.84Å; D624-T627 PolarHBondContact OD1-OG1 3.1Å; D624-T627 PolarHBondContact OD2-OG1 2.94Å
625	G	93.5	Very high	96.7	Very high	42 Å²	42	58.2 Å²	58.2	43%	0.433	34%	0.338	S	S	.	.	S	Bend	trans	95.7	-24	-172.9	0	0	0	0	0	113.8	Y623	Y623-G625 VanDerWaalsContact CE2-C 3.42Å; Y623-G625 PolarHBondContact OH-O 2.72Å
626	V	95.7	Very high	96.4	Very high	80 Å²	80	54.6 Å²	54.6	49%	0.485	31%	0.313	S	S	.	.	S	Bend	trans	-126.6	-30.5	-175.7	-168.3	0	0	0	0	112.3	L566 S592 D624	L566-V626 HydrophobicContact CD2-CG1 3.55Å; S592-V626 PolarHBondContact N-O 2.91Å; D624-V626 PolarHBondContact OD1-N 3.34Å
627	T	97.5	Very high	96	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.018	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.7	-176.4	70.3	0	0	0	0	111.6	V565 L566 R589 V590 Y623 D624	V565-T627 HydrophobicContact CG1-CG2 3.86Å; L566-T627 HydrophobicContact CD2-CG2 4.21Å; R589-T627 PolarHBondContact NE-OG1 2.95Å; V590-T627 CarbonylContact O-C 3.52Å; V590-T627 WeakPolarHBondContact O-CA 2.99Å; V590-T627 WeakPolarHBondContact O-CB 3.18Å; Y623-T627 WeakPolarHBondContact CA-O 3.45Å; Y623-T627 WeakPolarHBondContact CD2-O 3.37Å; D624-T627 VanDerWaalsContact CG-OG1 3.24Å; D624-T627 PolarHBondContact N-O 2.91Å; D624-T627 VanDerWaalsContact N-O 3.07Å; D624-T627 PolarHBondContact OD1-N 2.84Å; D624-T627 PolarHBondContact OD1-OG1 3.1Å; D624-T627 PolarHBondContact OD2-OG1 2.94Å
628	D	97.8	Very high	95.3	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.032	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.2	177	-71.9	-92	0	0	0	109.4	R589 V590 S592 K597 Y618 F630	R589-D628 WeakPolarHBondContact CA-O 3.43Å; V590-D628 HydrophobicContact CG2-CB 3.95Å; V590-D628 PolarHBondContact N-O 3.5Å; V590-D628 PolarHBondContact O-N 2.92Å; S592-D628 WeakPolarHBondContact CB-OD2 3.38Å; S592-D628 PolarHBondContact OG-OD2 3Å; K597-D628 WeakPolarHBondContact CE-OD2 3.16Å; K597-D628 VanDerWaalsContact NZ-CG 3.33Å; K597-D628 IonicContact NZ-OD1 3.62Å; K597-D628 IonicContact NZ-OD2 2.72Å; K597-D628 PolarHBondContact NZ-OD2 3.29Å; Y618-D628 HydrophobicContact CD2-CB 4.48Å; Y618-D628 HydrophobicContact CE2-CB 3.95Å; Y618-D628 VanDerWaalsContact CE2-OD1 3.26Å; Y618-D628 WeakPolarHBondContact CE2-OD1 3.38Å; Y618-D628 PolarHBondContact OH-OD1 2.97Å; D628-F630 HydrophobicContact CB-CE2 4Å
629	K	98.1	Very high	94.7	Very high	53 Å²	53	60.7 Å²	60.7	23%	0.23	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.7	172.2	-57.4	-172.4	174.1	-160	0	112.7	E573 I588 R589 Y618 I619 S622	E573-K629 WeakPolarHBondContact OE1-CE 3.46Å; E573-K629 IonicContact OE1-NZ 3.33Å; E573-K629 PolarHBondContact OE1-NZ 3.23Å; E573-K629 WeakPolarHBondContact OE2-CE 3.25Å; E573-K629 IonicContact OE2-NZ 3.22Å; E573-K629 PolarHBondContact OE2-NZ 3.31Å; I588-K629 CarbonylContact O-C 3.48Å; I588-K629 WeakPolarHBondContact O-CA 3.41Å; R589-K629 HydrophobicContact CG-CG 4.34Å; Y618-K629 WeakPolarHBondContact CD2-O 3.35Å; I619-K629 HydrophobicContact CB-CB 4.28Å; I619-K629 HydrophobicContact CD1-CB 3.87Å; I619-K629 HydrophobicContact CG1-CB 4.36Å; I619-K629 PolarHBondContact N-O 2.93Å; S622-K629 PolarHBondContact OG-N 2.94Å; S622-K629 PolarHBondContact OG-O 3.15Å
630	F	98.4	Very high	94.3	Very high	13 Å²	13	58.3 Å²	58.3	6%	0.057	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.4	176.3	-74.2	-104.6	0	0	0	109.6	T587 I588 V590 K597 V599 A616 S617 Y618 D628	T587-F630 CarbonylContact C-O 3.42Å; T587-F630 WeakPolarHBondContact CA-O 3.38Å; I588-F630 HydrophobicContact CB-CB 4.44Å; I588-F630 PolarHBondContact N-O 3.03Å; I588-F630 PolarHBondContact O-N 3.42Å; V590-F630 HydrophobicContact CG2-CD2 3.83Å; V590-F630 HydrophobicContact CG2-CE2 3.59Å; K597-F630 HydrophobicContact CB-CZ 3.87Å; K597-F630 HydrophobicContact CD-CE2 3.96Å; K597-F630 HydrophobicContact CD-CZ 3.99Å; V599-F630 HydrophobicContact CB-CB 4.45Å; V599-F630 HydrophobicContact CB-CD1 4.02Å; V599-F630 HydrophobicContact CB-CE1 4.49Å; V599-F630 HydrophobicContact CB-CG 4.13Å; V599-F630 HydrophobicContact CG1-CB 4.41Å; V599-F630 HydrophobicContact CG2-CD1 3.94Å; V599-F630 HydrophobicContact CG2-CD2 3.9Å; V599-F630 HydrophobicContact CG2-CE1 4.12Å; V599-F630 HydrophobicContact CG2-CE2 4.1Å; V599-F630 HydrophobicContact CG2-CG 3.85Å; V599-F630 HydrophobicContact CG2-CZ 4.21Å; A616-F630 HydrophobicContact CB-CB 3.87Å; A616-F630 HydrophobicContact CB-CD1 4.32Å; S617-F630 CarbonylContact O-C 3.54Å; S617-F630 WeakPolarHBondContact O-CA 3.22Å; Y618-F630 HydrophobicContact CD2-CD2 4.44Å; Y618-F630 HydrophobicContact CD2-CE1 4.41Å; Y618-F630 AromaticContact CD2-CE2 3.97Å; Y618-F630 HydrophobicContact CD2-CE2 3.97Å; Y618-F630 AromaticContact CD2-CZ 3.95Å; Y618-F630 HydrophobicContact CD2-CZ 3.95Å; Y618-F630 HydrophobicContact CG-CZ 4.45Å; D628-F630 HydrophobicContact CB-CE2 4Å
631	S	98.2	Very high	93.8	Very high	47 Å²	47	53.3 Å²	53.3	33%	0.329	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	149.9	174.8	54.9	0	0	0	0	111.3	G586 A616 S617	G586-S631 WeakPolarHBondContact O-CA 3.41Å; A616-S631 CarbonylContact C-O 3.48Å; A616-S631 VanDerWaalsContact CA-O 3.29Å; A616-S631 WeakPolarHBondContact CA-O 3.21Å; A616-S631 WeakPolarHBondContact CB-O 3.12Å; S617-S631 PolarHBondContact N-O 3.08Å; S617-S631 PolarHBondContact O-N 2.86Å
632	F	98.1	Very high	93.4	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.4	172.9	69.1	-87.2	0	0	0	112.5	L572 L584 T585 G586 I588 I601 A616 L634 F648	L572-F632 HydrophobicContact CD1-CE1 3.66Å; L572-F632 HydrophobicContact CD1-CZ 3.95Å; L584-F632 HydrophobicContact CD2-CE2 4.49Å; L584-F632 HydrophobicContact CG-CE2 4.43Å; T585-F632 WeakPolarHBondContact CA-O 3.42Å; G586-F632 VanDerWaalsContact C-CE1 3.46Å; G586-F632 PolarHBondContact N-O 2.72Å; G586-F632 VanDerWaalsContact O-CD1 3.22Å; G586-F632 WeakPolarHBondContact O-CD1 3.39Å; G586-F632 PolarHBondContact O-N 3.17Å; I588-F632 HydrophobicContact CD1-CD1 3.54Å; I588-F632 HydrophobicContact CD1-CE1 3.89Å; I588-F632 HydrophobicContact CD1-CG 4.46Å; I588-F632 HydrophobicContact CG1-CD1 3.79Å; I588-F632 HydrophobicContact CG1-CE1 3.81Å; I601-F632 HydrophobicContact CD1-CB 3.49Å; I601-F632 VanDerWaalsContact CD1-CB 3.49Å; I601-F632 HydrophobicContact CD1-CD1 4.08Å; I601-F632 HydrophobicContact CD1-CD2 4.39Å; I601-F632 HydrophobicContact CD1-CG 3.74Å; I601-F632 HydrophobicContact CG1-CB 4.29Å; I601-F632 HydrophobicContact CG1-CD1 4.23Å; I601-F632 HydrophobicContact CG1-CD2 4.29Å; I601-F632 HydrophobicContact CG1-CG 4.01Å; A616-F632 HydrophobicContact CB-CB 4.3Å; F632-L634 HydrophobicContact CD2-CD1 4Å; F632-L634 HydrophobicContact CD2-CG 4.1Å; F632-L634 HydrophobicContact CE2-CD1 4.06Å; F632-F648 HydrophobicContact CZ-CE2 4.36Å; F632-F648 HydrophobicContact CZ-CZ 4.45Å
633	S	97.1	Very high	92.9	Very high	76 Å²	76	53.2 Å²	53.2	53%	0.531	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	127.9	173.6	-52.8	0	0	0	0	108.4	L584 T585	L584-S633 CarbonylContact O-C 3.55Å; L584-S633 WeakPolarHBondContact O-CA 3.48Å; T585-S633 WeakPolarHBondContact CG2-OG 3.21Å
634	L	96.3	Very high	92.7	Very high	7 Å²	7	50 Å²	50	4%	0.037	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.9	179.2	-71.2	168.2	0	0	0	108	I583 L584 I601 I603 T614 F632	I583-L634 CarbonylContact C-O 3.51Å; I583-L634 WeakPolarHBondContact CA-O 3.27Å; L584-L634 HydrophobicContact CB-CB 4.27Å; L584-L634 HydrophobicContact CD2-CD1 4.26Å; L584-L634 PolarHBondContact N-O 2.84Å; L584-L634 PolarHBondContact O-N 3.26Å; I601-L634 HydrophobicContact CB-CD1 4.4Å; I601-L634 HydrophobicContact CG2-CD1 3.87Å; I603-L634 HydrophobicContact CD1-CD1 4.05Å; I603-L634 HydrophobicContact CG2-CD2 4.24Å; T614-L634 HydrophobicContact CG2-CD2 3.99Å; T614-L634 WeakPolarHBondContact OG1-CD2 3.47Å; F632-L634 HydrophobicContact CD2-CD1 4Å; F632-L634 HydrophobicContact CD2-CG 4.1Å; F632-L634 HydrophobicContact CE2-CD1 4.06Å
635	I	93.6	Very high	92.7	Very high	119 Å²	119	51.3 Å²	51.3	61%	0.61	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.6	177.7	-51.5	178.7	0	0	0	107.6	I583	I583-I635 HydrophobicContact CG1-CG1 4.3Å
636	F	91.6	Very high	92.8	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.018	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-71.9	133.1	172.4	-64.7	-55.3	0	0	0	109.9	F548 I577 C582 L584 I603 Y605 M640 A646 V671	F548-F636 HydrophobicContact CB-CE2 4.09Å; F548-F636 AromaticContact CD1-CD2 3.65Å; F548-F636 HydrophobicContact CD1-CD2 3.65Å; F548-F636 AromaticContact CD1-CE2 3.8Å; F548-F636 HydrophobicContact CD1-CE2 3.8Å; F548-F636 HydrophobicContact CD1-CG 4.12Å; F548-F636 HydrophobicContact CD1-CZ 4.4Å; F548-F636 AromaticContact CD2-CD2 3.97Å; F548-F636 HydrophobicContact CD2-CD2 3.97Å; F548-F636 HydrophobicContact CD2-CE2 4.33Å; F548-F636 HydrophobicContact CE1-CB 3.89Å; F548-F636 HydrophobicContact CE1-CD1 4.47Å; F548-F636 AromaticContact CE1-CD2 3.66Å; F548-F636 HydrophobicContact CE1-CD2 3.66Å; F548-F636 HydrophobicContact CE1-CE2 4.29Å; F548-F636 AromaticContact CE1-CG 3.77Å; F548-F636 HydrophobicContact CE1-CG 3.77Å; F548-F636 AromaticContact CE2-CD2 4Å; F548-F636 HydrophobicContact CE2-CD2 4Å; F548-F636 AromaticContact CG-CD2 3.8Å; F548-F636 HydrophobicContact CG-CD2 3.8Å; F548-F636 AromaticContact CG-CE2 3.82Å; F548-F636 HydrophobicContact CG-CE2 3.82Å; F548-F636 HydrophobicContact CZ-CB 3.8Å; F548-F636 AromaticContact CZ-CD2 3.84Å; F548-F636 HydrophobicContact CZ-CD2 3.84Å; F548-F636 HydrophobicContact CZ-CG 4.05Å; I577-F636 HydrophobicContact CD1-CE2 4.49Å; I577-F636 HydrophobicContact CG2-CE2 4.38Å; C582-F636 HydrophobicContact CB-CB 4.43Å; C582-F636 WeakPolarHBondContact O-CD2 3.15Å; C582-F636 PolarHBondContact O-N 2.91Å; L584-F636 HydrophobicContact CB-CE1 4.29Å; L584-F636 HydrophobicContact CB-CE2 3.88Å; L584-F636 HydrophobicContact CB-CZ 3.63Å; L584-F636 HydrophobicContact CD1-CZ 4.06Å; L584-F636 HydrophobicContact CD2-CE1 4.25Å; L584-F636 HydrophobicContact CD2-CZ 3.94Å; L584-F636 HydrophobicContact CG-CZ 4.1Å; I603-F636 HydrophobicContact CD1-CE1 4.44Å; Y605-F636 HydrophobicContact CE1-CD1 4.13Å; F636-M640 HydrophobicContact CB-SD 4.24Å; F636-M640 HydrophobicContact CD1-SD 4.01Å; F636-M640 HydrophobicContact CG-SD 4.39Å; F636-A646 HydrophobicContact CD1-CB 4.34Å; F636-A646 HydrophobicContact CE1-CB 3.88Å; F636-V671 HydrophobicContact CE1-CB 4.49Å; F636-V671 HydrophobicContact CE2-CG1 4.34Å; F636-V671 HydrophobicContact CZ-CB 4.08Å; F636-V671 HydrophobicContact CZ-CG1 3.78Å; F636-V671 HydrophobicContact CZ-CG2 4.25Å
637	P	89.9	Confident	92.9	Very high	41 Å²	41	47.2 Å²	47.2	27%	0.266	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-74.5	144.3	-177.8	30.1	-34	0	0	0	111.1	Y605 T639 M640	Y605-P637 HydrophobicContact CD2-CG 4.08Å; Y605-P637 HydrophobicContact CE1-CG 4.36Å; Y605-P637 HydrophobicContact CE2-CG 3.86Å; Y605-P637 HydrophobicContact CG-CG 4.42Å; Y605-P637 VanDerWaalsContact CZ-CD 3.44Å; P637-T639 PolarHBondContact O-N 2.99Å; P637-M640 HydrophobicContact CG-CG 4.12Å; P637-M640 PolarHBondContact O-N 3.36Å
638	D	84	Confident	92.9	Very high	145 Å²	145	47 Å²	47	78%	0.775	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.6	179.6	-59.5	-57.1	0	0	0	114	K546 M640	K546-D638 PolarHBondContact NZ-O 2.86Å; D638-M640 VanDerWaalsContact C-N 3.28Å; D638-M640 PolarHBondContact O-N 3.09Å
639	T	86	Confident	92.9	Very high	115 Å²	115	47 Å²	47	71%	0.706	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.5	174.5	57.9	0	0	0	0	114	P637 V641	P637-T639 PolarHBondContact O-N 2.99Å; T639-V641 PolarHBondContact O-N 3.31Å
640	M	88.6	Confident	92.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.263	C	S	.	.			trans	-67.3	126	176.9	-73.5	-168.9	75.9	0	0	110.6	K546 F548 Y605 F636 P637 D638 D644 A646 C673	K546-M640 WeakPolarHBondContact CE-O 3.38Å; K546-M640 PolarHBondContact NZ-O 3.21Å; F548-M640 HydrophobicContact CE1-CE 4.43Å; F548-M640 HydrophobicContact CE1-SD 4.14Å; Y605-M640 HydrophobicContact CD1-CE 4.32Å; Y605-M640 HydrophobicContact CD1-CG 4.27Å; Y605-M640 HydrophobicContact CD1-SD 3.6Å; Y605-M640 HydrophobicContact CE1-SD 3.77Å; F636-M640 HydrophobicContact CB-SD 4.24Å; F636-M640 HydrophobicContact CD1-SD 4.01Å; F636-M640 HydrophobicContact CG-SD 4.39Å; P637-M640 HydrophobicContact CG-CG 4.12Å; P637-M640 PolarHBondContact O-N 3.36Å; D638-M640 VanDerWaalsContact C-N 3.28Å; D638-M640 PolarHBondContact O-N 3.09Å; M640-D644 VanDerWaalsContact CA-OD2 3.31Å; M640-D644 WeakPolarHBondContact CA-OD2 3.43Å; M640-D644 HydrophobicContact CB-CB 4.46Å; M640-D644 HydrophobicContact CE-CB 3.74Å; M640-A646 HydrophobicContact CE-CB 4.01Å; M640-A646 HydrophobicContact SD-CB 4.29Å; M640-C673 HydrophobicContact CE-CB 4.17Å
641	V	85.7	Confident	92.9	Very high	66 Å²	66	45.6 Å²	45.6	40%	0.4	27%	0.266	S	S	.	.			trans	-104.7	154.8	173.2	-65	0	0	0	0	111.1	T639 G643 D644 C673	T639-V641 PolarHBondContact O-N 3.31Å; V641-G643 PolarHBondContact O-N 3.12Å; V641-D644 WeakPolarHBondContact CG2-OD2 3.34Å; V641-D644 PolarHBondContact N-OD2 3.16Å; V641-D644 VanDerWaalsContact O-CB 3.23Å; V641-D644 WeakPolarHBondContact O-CB 3.37Å; V641-D644 PolarHBondContact O-N 3.03Å; V641-C673 WeakPolarHBondContact O-CB 3.49Å
642	P	85.5	Confident	92.9	Very high	28 Å²	28	43.3 Å²	43.3	18%	0.182	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.9	125.2	163	-37.5	41.9	0	0	0	113.1	A541 A675	A541-P642 HydrophobicContact CB-CB 3.84Å; A541-P642 HydrophobicContact CB-CG 3.83Å; A541-P642 WeakPolarHBondContact O-CD 3.27Å; P642-A675 HydrophobicContact CB-CB 3.98Å; P642-A675 HydrophobicContact CG-CB 3.8Å
643	G	86.1	Confident	92.9	Very high	56 Å²	56	45.2 Å²	45.2	58%	0.577	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	-29.6	-169.2	0	0	0	0	0	113.8	V641 C673	V641-G643 PolarHBondContact O-N 3.12Å; G643-C673 PolarHBondContact N-O 3.1Å
644	D	91.6	Very high	92.9	Very high	58 Å²	58	41.9 Å²	41.9	31%	0.31	24%	0.236	S	C	.	.			trans	-68.4	151.5	-179.3	-75.6	-26	0	0	0	112.9	M640 V641 C673	M640-D644 VanDerWaalsContact CA-OD2 3.31Å; M640-D644 WeakPolarHBondContact CA-OD2 3.43Å; M640-D644 HydrophobicContact CB-CB 4.46Å; M640-D644 HydrophobicContact CE-CB 3.74Å; V641-D644 WeakPolarHBondContact CG2-OD2 3.34Å; V641-D644 PolarHBondContact N-OD2 3.16Å; V641-D644 VanDerWaalsContact O-CB 3.23Å; V641-D644 WeakPolarHBondContact O-CB 3.37Å; V641-D644 PolarHBondContact O-N 3.03Å; D644-C673 PolarHBondContact O-N 3.36Å
645	K	93.7	Very high	92.8	Very high	111 Å²	111	46.3 Å²	46.3	48%	0.483	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.7	179.8	-60.9	-171.5	177.9	-179.4	0	111.2	V671 T672	K645-V671 WeakPolarHBondContact CA-O 3.33Å; K645-T672 WeakPolarHBondContact CE-OG1 3.42Å; K645-T672 HydrophobicContact CG-CG2 4.13Å
646	A	95.6	Very high	92.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.8	165.2	0	0	0	0	0	109.1	I603 T604 Y605 F636 M640 C670 V671	I603-A646 HydrophobicContact CD1-CB 4.28Å; T604-A646 WeakPolarHBondContact O-CA 3.49Å; Y605-A646 HydrophobicContact CD1-CB 3.7Å; Y605-A646 HydrophobicContact CE1-CB 3.65Å; F636-A646 HydrophobicContact CD1-CB 4.34Å; F636-A646 HydrophobicContact CE1-CB 3.88Å; M640-A646 HydrophobicContact CE-CB 4.01Å; M640-A646 HydrophobicContact SD-CB 4.29Å; A646-C670 CarbonylContact O-C 3.54Å; A646-C670 WeakPolarHBondContact O-CA 3.33Å; A646-V671 HydrophobicContact CB-CB 4.45Å; A646-V671 PolarHBondContact N-O 3.14Å; A646-V671 PolarHBondContact O-N 3.11Å
647	Q	96.9	Very high	93	Very high	35 Å²	35	46.5 Å²	46.5	16%	0.164	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.3	171.4	-64.8	178.8	33.3	0	0	109.8	I603 T604 W608 N668 Y669	I603-Q647 CarbonylContact C-O 3.56Å; I603-Q647 WeakPolarHBondContact CA-O 3.38Å; T604-Q647 HydrophobicContact CG2-CB 3.89Å; T604-Q647 PolarHBondContact N-O 2.85Å; T604-Q647 PolarHBondContact O-N 2.79Å; W608-Q647 HydrophobicContact CZ2-CB 4.07Å; Q647-N668 HydrophobicContact CB-CB 4.33Å; Q647-N668 PolarHBondContact OE1-ND2 3.09Å; Q647-Y669 CarbonylContact C-O 3.58Å; Q647-Y669 WeakPolarHBondContact CA-O 3.07Å
648	F	97.6	Very high	93.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.2	173.3	70.8	-88.7	0	0	0	113.8	F552 L572 L584 I601 R602 I603 F632 Y669 V671	F552-F648 HydrophobicContact CE1-CE1 4.37Å; F552-F648 HydrophobicContact CZ-CE1 4.45Å; F552-F648 HydrophobicContact CZ-CZ 4.23Å; L572-F648 HydrophobicContact CD1-CE2 4.46Å; L572-F648 HydrophobicContact CD2-CE2 4.37Å; L572-F648 HydrophobicContact CD2-CZ 4.21Å; L584-F648 HydrophobicContact CD2-CD1 4.07Å; L584-F648 HydrophobicContact CD2-CE1 3.69Å; L584-F648 HydrophobicContact CD2-CZ 4.34Å; I601-F648 HydrophobicContact CG2-CB 3.85Å; I601-F648 HydrophobicContact CG2-CD2 3.61Å; I601-F648 HydrophobicContact CG2-CE2 4.48Å; I601-F648 HydrophobicContact CG2-CG 4.04Å; R602-F648 CarbonylContact O-C 3.53Å; R602-F648 WeakPolarHBondContact O-CA 3.25Å; R602-F648 WeakPolarHBondContact O-CB 3.41Å; I603-F648 HydrophobicContact CB-CB 4.05Å; I603-F648 HydrophobicContact CG1-CB 4.21Å; F632-F648 HydrophobicContact CZ-CE2 4.36Å; F632-F648 HydrophobicContact CZ-CZ 4.45Å; F648-Y669 WeakPolarHBondContact CD1-O 3.12Å; F648-Y669 HydrophobicContact CD2-CD2 4.3Å; F648-Y669 HydrophobicContact CD2-CG 4.37Å; F648-Y669 VanDerWaalsContact CE1-CB 3.42Å; F648-Y669 HydrophobicContact CE1-CG 4.45Å; F648-Y669 AromaticContact CE2-CD2 3.97Å; F648-Y669 HydrophobicContact CE2-CD2 3.97Å; F648-Y669 AromaticContact CE2-CG 3.85Å; F648-Y669 HydrophobicContact CE2-CG 3.85Å; F648-Y669 HydrophobicContact CZ-CD2 4.48Å; F648-Y669 AromaticContact CZ-CG 3.91Å; F648-Y669 HydrophobicContact CZ-CG 3.91Å; F648-Y669 PolarHBondContact N-O 2.93Å; F648-Y669 PolarHBondContact O-N 3.41Å; F648-V671 HydrophobicContact CE1-CG2 4.25Å
649	A	97.9	Very high	93.9	Very high	4 Å²	4	47 Å²	47	3%	0.033	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.2	171.8	0	0	0	0	0	109.3	R602 W608 W661 N663	R602-A649 PolarHBondContact N-O 3.35Å; R602-A649 PolarHBondContact O-N 2.86Å; W608-A649 HydrophobicContact CH2-CB 3.93Å; A649-W661 HydrophobicContact CB-CE3 4.33Å; A649-W661 HydrophobicContact CB-CZ3 4.41Å; A649-N663 HydrophobicContact CB-CB 4.1Å
650	I	98.4	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.4	-177.1	-57.6	158.4	0	0	0	108.8	V570 L572 I588 V599 I601 W661 D662 Y669	V570-I650 HydrophobicContact CG2-CB 4.38Å; V570-I650 HydrophobicContact CG2-CG2 3.65Å; L572-I650 HydrophobicContact CB-CD1 3.72Å; L572-I650 HydrophobicContact CD1-CD1 4.08Å; L572-I650 HydrophobicContact CG-CD1 4.49Å; I588-I650 HydrophobicContact CD1-CD1 3.88Å; I588-I650 HydrophobicContact CD1-CG1 3.94Å; I588-I650 HydrophobicContact CD1-CG2 3.92Å; I588-I650 HydrophobicContact CG1-CD1 3.81Å; I588-I650 HydrophobicContact CG1-CG1 4.44Å; I588-I650 HydrophobicContact CG2-CD1 4.22Å; I588-I650 HydrophobicContact CG2-CG2 4Å; V599-I650 HydrophobicContact CG1-CG2 4.02Å; I601-I650 HydrophobicContact CG1-CG1 4.36Å; I650-W661 CarbonylContact O-C 3.59Å; I650-W661 VanDerWaalsContact O-CA 3.29Å; I650-W661 WeakPolarHBondContact O-CA 3.48Å; I650-D662 HydrophobicContact CB-CB 4.39Å; I650-D662 PolarHBondContact N-O 2.84Å; I650-D662 PolarHBondContact O-N 3.17Å; I650-Y669 HydrophobicContact CD1-CE2 4.49Å
651	R	98.1	Very high	94.9	Very high	37 Å²	37	48.2 Å²	48.2	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.9	165	177.4	-179.1	56.9	136.9	6.2	109.7	V599 T600 E653 Q659 F660 W661	V599-R651 WeakPolarHBondContact CA-O 3.42Å; T600-R651 PolarHBondContact N-O 2.81Å; T600-R651 PolarHBondContact O-N 3.47Å; T600-R651 PolarHBondContact OG1-NE 3.48Å; T600-R651 VanDerWaalsContact OG1-NE 3.08Å; T600-R651 PolarHBondContact OG1-NH2 2.83Å; R651-E653 IonicContact CZ-OE2 3.5Å; R651-E653 IonicContact NH1-OE2 2.72Å; R651-E653 PolarHBondContact NH1-OE2 3.08Å; R651-E653 IonicContact NH2-OE2 4Å; R651-Q659 HydrophobicContact CG-CB 4.49Å; R651-F660 CarbonylContact C-O 3.55Å; R651-F660 WeakPolarHBondContact CA-O 3.49Å; R651-W661 HydrophobicContact CB-CD2 3.93Å; R651-W661 HydrophobicContact CB-CE3 3.91Å; R651-W661 HydrophobicContact CB-CH2 3.84Å; R651-W661 HydrophobicContact CB-CZ2 3.85Å; R651-W661 HydrophobicContact CB-CZ3 3.87Å; R651-W661 HydrophobicContact CG-CD2 4.32Å; R651-W661 HydrophobicContact CG-CH2 4.45Å; R651-W661 HydrophobicContact CG-CZ2 3.97Å
652	Y	98.3	Very high	95.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120	165.2	170	-146	0	0	0	108.9	N569 V570 V590 K591 F593 K597 V599 T654 Q659 F660	N569-Y652 WeakPolarHBondContact O-CD1 3.19Å; V570-Y652 HydrophobicContact CB-CD1 4.29Å; V570-Y652 HydrophobicContact CB-CG 4.48Å; V590-Y652 HydrophobicContact CB-CD1 3.79Å; V590-Y652 HydrophobicContact CB-CE1 3.81Å; V590-Y652 HydrophobicContact CB-CG 4.16Å; V590-Y652 HydrophobicContact CG1-CD1 3.86Å; V590-Y652 HydrophobicContact CG1-CD2 4.25Å; V590-Y652 HydrophobicContact CG1-CE1 4.37Å; V590-Y652 HydrophobicContact CG1-CG 3.8Å; V590-Y652 HydrophobicContact CG2-CE1 4.41Å; K591-Y652 WeakPolarHBondContact O-CE1 3.41Å; K591-Y652 PolarHBondContact O-OH 2.87Å; F593-Y652 AromaticContact CD2-CE1 3.97Å; F593-Y652 HydrophobicContact CD2-CE1 3.97Å; F593-Y652 HydrophobicContact CE2-CE1 4.33Å; K597-Y652 HydrophobicContact CB-CE2 3.76Å; K597-Y652 HydrophobicContact CD-CE2 4.04Å; K597-Y652 HydrophobicContact CG-CE2 3.85Å; V599-Y652 HydrophobicContact CG2-CD2 3.93Å; V599-Y652 HydrophobicContact CG2-CG 4.46Å; Y652-T654 HydrophobicContact CE1-CG2 4.07Å; Y652-T654 HydrophobicContact CE2-CG2 4.06Å; Y652-Q659 CarbonylContact O-C 3.51Å; Y652-Q659 WeakPolarHBondContact O-CA 3.34Å; Y652-F660 HydrophobicContact CD1-CD2 4.05Å; Y652-F660 HydrophobicContact CE1-CD2 4.42Å; Y652-F660 PolarHBondContact N-O 2.78Å; Y652-F660 PolarHBondContact O-N 2.8Å
653	E	97.9	Very high	95.9	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.1	177	179.1	160	-141.5	0	0	109.8	H598 R651 E658 Q659	H598-E653 HydrophobicContact CB-CB 4.25Å; H598-E653 PolarHBondContact N-O 3.01Å; H598-E653 PolarHBondContact O-N 2.85Å; R651-E653 IonicContact CZ-OE2 3.5Å; R651-E653 IonicContact NH1-OE2 2.72Å; R651-E653 PolarHBondContact NH1-OE2 3.08Å; R651-E653 IonicContact NH2-OE2 4Å; E653-E658 WeakPolarHBondContact CA-O 3.33Å; E653-Q659 HydrophobicContact CB-CG 4.08Å; E653-Q659 VanDerWaalsContact CD-NE2 3.27Å; E653-Q659 HydrophobicContact CG-CG 3.96Å; E653-Q659 PolarHBondContact OE1-NE2 3.01Å; E653-Q659 PolarHBondContact OE2-NE2 2.87Å
654	T	96.7	Very high	96.4	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	166.5	-171.9	53.3	0	0	0	0	112.2	F593 Y652 T656 G657 E658 F660	F593-T654 HydrophobicContact CB-CG2 4.25Å; F593-T654 HydrophobicContact CD2-CG2 3.71Å; F593-T654 HydrophobicContact CE2-CG2 4.47Å; F593-T654 HydrophobicContact CG-CG2 4.35Å; Y652-T654 HydrophobicContact CE1-CG2 4.07Å; Y652-T654 HydrophobicContact CE2-CG2 4.06Å; T654-T656 PolarHBondContact O-N 3.4Å; T654-T656 VanDerWaalsContact O-N 3.08Å; T654-T656 PolarHBondContact OG1-OG1 2.87Å; T654-G657 PolarHBondContact O-N 2.7Å; T654-E658 PolarHBondContact N-O 2.74Å; T654-E658 WeakPolarHBondContact OG1-CB 3.22Å; T654-E658 PolarHBondContact OG1-N 2.97Å; T654-E658 VanDerWaalsContact OG1-N 3.15Å; T654-E658 PolarHBondContact OG1-O 2.85Å; T654-F660 HydrophobicContact CG2-CD2 4.34Å; T654-F660 HydrophobicContact CG2-CE2 3.86Å
655	H	94.3	Very high	96.4	Very high	100 Å²	100	49 Å²	49	46%	0.463	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18	171.9	79.5	-84.7	0	0	0	115	F593 E596	F593-H655 PolarHBondContact O-CE1 3.16Å; E596-H655 HydrophobicContact CB-CB 4.01Å; E596-H655 HydrophobicContact CG-CB 4.45Å; E596-H655 PolarHBondContact O-N 2.87Å
656	T	94.8	Very high	96.3	Very high	81 Å²	81	46.1 Å²	46.1	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.5	173.5	52	0	0	0	0	113.2	T654 E658	T654-T656 PolarHBondContact O-N 3.4Å; T654-T656 VanDerWaalsContact O-N 3.08Å; T654-T656 PolarHBondContact OG1-OG1 2.87Å; T656-E658 VanDerWaalsContact C-N 3.29Å; T656-E658 WeakPolarHBondContact OG1-CG 3.21Å; T656-E658 PolarHBondContact OG1-OE2 3.25Å
657	G	94.5	Very high	96.1	Very high	46 Å²	46	53.2 Å²	53.2	47%	0.474	28%	0.277	S	S	.	.			trans	79.5	6.4	-170.7	0	0	0	0	0	114.1	T654	T654-G657 PolarHBondContact O-N 2.7Å
658	E	96.4	Very high	96.1	Very high	109 Å²	109	52.9 Å²	52.9	51%	0.509	28%	0.276	S	S	.	.			trans	-74.2	131.8	173.5	-65.6	173.7	110.6	0	0	110.1	E653 T654 T656 F660	E653-E658 WeakPolarHBondContact CA-O 3.33Å; T654-E658 PolarHBondContact N-O 2.74Å; T654-E658 WeakPolarHBondContact OG1-CB 3.22Å; T654-E658 PolarHBondContact OG1-N 2.97Å; T654-E658 VanDerWaalsContact OG1-N 3.15Å; T654-E658 PolarHBondContact OG1-O 2.85Å; T656-E658 VanDerWaalsContact C-N 3.29Å; T656-E658 WeakPolarHBondContact OG1-CG 3.21Å; T656-E658 PolarHBondContact OG1-OE2 3.25Å; E658-F660 HydrophobicContact CB-CE2 4.26Å; E658-F660 HydrophobicContact CB-CZ 4.06Å
659	Q	97	Very high	96.1	Very high	87 Å²	87	52.9 Å²	52.9	41%	0.407	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121.5	-177.3	-63.6	-173.7	4.3	0	0	111.2	R651 Y652 E653	R651-Q659 HydrophobicContact CG-CB 4.49Å; Y652-Q659 CarbonylContact O-C 3.51Å; Y652-Q659 WeakPolarHBondContact O-CA 3.34Å; E653-Q659 HydrophobicContact CB-CG 4.08Å; E653-Q659 VanDerWaalsContact CD-NE2 3.27Å; E653-Q659 HydrophobicContact CG-CG 3.96Å; E653-Q659 PolarHBondContact OE1-NE2 3.01Å; E653-Q659 PolarHBondContact OE2-NE2 2.87Å
660	F	97.5	Very high	96	Very high	44 Å²	44	53.7 Å²	53.7	19%	0.193	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	146.8	173	-53.2	-67.6	0	0	0	109.9	N569 V570 F593 R651 Y652 T654 E658	N569-F660 HydrophobicContact CB-CB 4.21Å; N569-F660 HydrophobicContact CB-CD1 4.16Å; N569-F660 HydrophobicContact CB-CD2 3.78Å; N569-F660 HydrophobicContact CB-CE2 4.22Å; N569-F660 HydrophobicContact CB-CG 3.75Å; N569-F660 VanDerWaalsContact ND2-CD1 3.31Å; N569-F660 WeakPolarHBondContact ND2-CD1 3.45Å; N569-F660 WeakPolarHBondContact ND2-CE1 3.31Å; N569-F660 VanDerWaalsContact ND2-CZ 3.31Å; N569-F660 WeakPolarHBondContact ND2-CZ 3.35Å; V570-F660 HydrophobicContact CG1-CB 3.91Å; F593-F660 HydrophobicContact CD2-CE2 4.13Å; F593-F660 HydrophobicContact CE2-CD2 4.2Å; F593-F660 AromaticContact CE2-CE2 3.53Å; F593-F660 HydrophobicContact CE2-CE2 3.53Å; F593-F660 HydrophobicContact CE2-CZ 4.08Å; F593-F660 HydrophobicContact CZ-CE2 4.27Å; F593-F660 HydrophobicContact CZ-CZ 4.38Å; R651-F660 CarbonylContact C-O 3.55Å; R651-F660 WeakPolarHBondContact CA-O 3.49Å; Y652-F660 HydrophobicContact CD1-CD2 4.05Å; Y652-F660 HydrophobicContact CE1-CD2 4.42Å; Y652-F660 PolarHBondContact N-O 2.78Å; Y652-F660 PolarHBondContact O-N 2.8Å; T654-F660 HydrophobicContact CG2-CD2 4.34Å; T654-F660 HydrophobicContact CG2-CE2 3.86Å; E658-F660 HydrophobicContact CB-CE2 4.26Å; E658-F660 HydrophobicContact CB-CZ 4.06Å
661	W	97.7	Very high	95.8	Very high	100 Å²	100	53.7 Å²	53.7	38%	0.379	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.1	-176.9	-74.4	85.6	0	0	0	110.9	R602 A649 I650 R651	R602-W661 HydrophobicContact CB-CZ3 4.42Å; A649-W661 HydrophobicContact CB-CE3 4.33Å; A649-W661 HydrophobicContact CB-CZ3 4.41Å; I650-W661 CarbonylContact O-C 3.59Å; I650-W661 VanDerWaalsContact O-CA 3.29Å; I650-W661 WeakPolarHBondContact O-CA 3.48Å; R651-W661 HydrophobicContact CB-CD2 3.93Å; R651-W661 HydrophobicContact CB-CE3 3.91Å; R651-W661 HydrophobicContact CB-CH2 3.84Å; R651-W661 HydrophobicContact CB-CZ2 3.85Å; R651-W661 HydrophobicContact CB-CZ3 3.87Å; R651-W661 HydrophobicContact CG-CD2 4.32Å; R651-W661 HydrophobicContact CG-CH2 4.45Å; R651-W661 HydrophobicContact CG-CZ2 3.97Å
662	D	97.7	Very high	95.6	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.2	163.3	-173.4	16	0	0	0	109.7	R564 V570 C571 L572 I650 N664 Y669	R564-D662 IonicContact CZ-OD1 3.8Å; R564-D662 VanDerWaalsContact NH2-CG 3.33Å; R564-D662 IonicContact NH2-OD1 2.72Å; R564-D662 PolarHBondContact NH2-OD1 2.87Å; R564-D662 IonicContact NH2-OD2 3.17Å; R564-D662 PolarHBondContact NH2-OD2 3.1Å; R564-D662 VanDerWaalsContact NH2-OD2 3.17Å; V570-D662 HydrophobicContact CG1-CB 4.19Å; V570-D662 HydrophobicContact CG2-CB 4.46Å; C571-D662 WeakPolarHBondContact CA-OD2 3.36Å; C571-D662 PolarHBondContact SG-OD2 2.88Å; L572-D662 PolarHBondContact N-OD2 3.09Å; L572-D662 VanDerWaalsContact N-OD2 3.1Å; I650-D662 HydrophobicContact CB-CB 4.39Å; I650-D662 PolarHBondContact N-O 2.84Å; I650-D662 PolarHBondContact O-N 3.17Å; D662-N664 PolarHBondContact OD1-N 2.87Å; D662-N664 VanDerWaalsContact OD1-N 3.08Å; D662-Y669 PolarHBondContact OD2-OH 3.38Å
663	N	96.2	Very high	95.3	Very high	65 Å²	65	53.3 Å²	53.3	35%	0.348	28%	0.284	S	S	.	.			trans	-118.8	29.2	177.2	69	-9.2	0	0	0	111.2	A649 H665 G666 Q667 N668	A649-N663 HydrophobicContact CB-CB 4.1Å; N663-H665 PolarHBondContact O-N 2.93Å; N663-G666 PolarHBondContact O-N 3.27Å; N663-G666 PolarHBondContact OD1-N 3.2Å; N663-G666 VanDerWaalsContact OD1-N 3.1Å; N663-Q667 PolarHBondContact O-N 3.14Å; N663-N668 VanDerWaalsContact O-CA 3.27Å; N663-N668 WeakPolarHBondContact O-CA 3.29Å; N663-N668 PolarHBondContact O-N 2.86Å
664	N	94.7	Very high	94.7	Very high	21 Å²	21	56 Å²	56	11%	0.112	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	50.8	53.5	-179.5	-162.5	30.8	0	0	0	113.1	D662 G666 Q667 N668 Y669	D662-N664 PolarHBondContact OD1-N 2.87Å; D662-N664 VanDerWaalsContact OD1-N 3.08Å; N664-G666 PolarHBondContact O-N 2.85Å; N664-G666 VanDerWaalsContact O-N 3.16Å; N664-Q667 WeakPolarHBondContact O-CB 3.38Å; N664-Q667 PolarHBondContact O-N 2.9Å; N664-Q667 VanDerWaalsContact O-N 3.09Å; N664-N668 WeakPolarHBondContact CB-O 3.41Å; N664-N668 PolarHBondContact ND2-O 3.27Å; N664-Y669 HydrophobicContact CB-CD1 4.19Å; N664-Y669 HydrophobicContact CB-CD2 4.13Å; N664-Y669 HydrophobicContact CB-CE1 3.91Å; N664-Y669 HydrophobicContact CB-CE2 3.84Å; N664-Y669 HydrophobicContact CB-CG 4.29Å
665	H	91.7	Very high	93.7	Very high	134 Å²	134	57.3 Å²	57.3	62%	0.62	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	55.4	30.6	-177.7	-54.1	-75.2	0	0	0	114.5	R564 N663	R564-H665 PolarHBondContact NE-NE2 3.47Å; R564-H665 PolarHBondContact NH1-NE2 2.88Å; N663-H665 PolarHBondContact O-N 2.93Å
666	G	91.6	Very high	92.5	Very high	50 Å²	50	56.6 Å²	56.6	52%	0.515	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	92.7	-4.2	-179.9	0	0	0	0	0	115.4	N663 N664	N663-G666 PolarHBondContact O-N 3.27Å; N663-G666 PolarHBondContact OD1-N 3.2Å; N663-G666 VanDerWaalsContact OD1-N 3.1Å; N664-G666 PolarHBondContact O-N 2.85Å; N664-G666 VanDerWaalsContact O-N 3.16Å
667	Q	92.9	Very high	90.6	Very high	148 Å²	148	55.8 Å²	55.8	69%	0.692	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.5	177.1	-57.4	-177.2	36.9	0	0	113.2	N663 N664	N663-Q667 PolarHBondContact O-N 3.14Å; N664-Q667 WeakPolarHBondContact O-CB 3.38Å; N664-Q667 PolarHBondContact O-N 2.9Å; N664-Q667 VanDerWaalsContact O-N 3.09Å
668	N	95.6	Very high	88.6	Confident	28 Å²	28	55.4 Å²	55.4	15%	0.15	29%	0.29	C	S	.	.			trans	59.4	172.3	-163.5	-55	-43.7	0	0	0	113	W608 Q647 N663 N664	W608-N668 HydrophobicContact CZ2-CB 4.34Å; W608-N668 PolarHBondContact NE1-ND2 3.02Å; Q647-N668 HydrophobicContact CB-CB 4.33Å; Q647-N668 PolarHBondContact OE1-ND2 3.09Å; N663-N668 VanDerWaalsContact O-CA 3.27Å; N663-N668 WeakPolarHBondContact O-CA 3.29Å; N663-N668 PolarHBondContact O-N 2.86Å; N664-N668 WeakPolarHBondContact CB-O 3.41Å; N664-N668 PolarHBondContact ND2-O 3.27Å
669	Y	97.3	Very high	86.4	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.5	167.2	-70.7	-73.9	0	0	0	108.6	F552 P555 R564 L572 Q647 F648 I650 D662 N664	F552-Y669 HydrophobicContact CB-CD1 4.47Å; F552-Y669 AromaticContact CD1-CD1 3.87Å; F552-Y669 HydrophobicContact CD1-CD1 3.87Å; F552-Y669 AromaticContact CD2-CD1 3.61Å; F552-Y669 HydrophobicContact CD2-CD1 3.61Å; F552-Y669 AromaticContact CD2-CE1 3.89Å; F552-Y669 HydrophobicContact CD2-CE1 3.89Å; F552-Y669 AromaticContact CE1-CD1 3.9Å; F552-Y669 HydrophobicContact CE1-CD1 3.9Å; F552-Y669 HydrophobicContact CE1-CG 4.43Å; F552-Y669 AromaticContact CE2-CD1 3.64Å; F552-Y669 HydrophobicContact CE2-CD1 3.64Å; F552-Y669 HydrophobicContact CE2-CE1 4.08Å; F552-Y669 AromaticContact CG-CD1 3.72Å; F552-Y669 HydrophobicContact CG-CD1 3.72Å; F552-Y669 HydrophobicContact CG-CE1 4.29Å; F552-Y669 AromaticContact CZ-CD1 3.78Å; F552-Y669 HydrophobicContact CZ-CD1 3.78Å; F552-Y669 HydrophobicContact CZ-CG 4.46Å; P555-Y669 HydrophobicContact CG-CE1 3.94Å; R564-Y669 PolarHBondContact NH2-OH 2.81Å; L572-Y669 HydrophobicContact CB-CE1 4.14Å; L572-Y669 HydrophobicContact CB-CE2 3.94Å; L572-Y669 HydrophobicContact CD2-CD1 3.54Å; L572-Y669 HydrophobicContact CD2-CD2 4.33Å; L572-Y669 HydrophobicContact CD2-CE1 3.43Å; L572-Y669 VanDerWaalsContact CD2-CE1 3.43Å; L572-Y669 HydrophobicContact CD2-CE2 4.24Å; L572-Y669 HydrophobicContact CD2-CG 4Å; L572-Y669 HydrophobicContact CG-CE1 4.43Å; Q647-Y669 CarbonylContact C-O 3.58Å; Q647-Y669 WeakPolarHBondContact CA-O 3.07Å; F648-Y669 WeakPolarHBondContact CD1-O 3.12Å; F648-Y669 HydrophobicContact CD2-CD2 4.3Å; F648-Y669 HydrophobicContact CD2-CG 4.37Å; F648-Y669 VanDerWaalsContact CE1-CB 3.42Å; F648-Y669 HydrophobicContact CE1-CG 4.45Å; F648-Y669 AromaticContact CE2-CD2 3.97Å; F648-Y669 HydrophobicContact CE2-CD2 3.97Å; F648-Y669 AromaticContact CE2-CG 3.85Å; F648-Y669 HydrophobicContact CE2-CG 3.85Å; F648-Y669 HydrophobicContact CZ-CD2 4.48Å; F648-Y669 AromaticContact CZ-CG 3.91Å; F648-Y669 HydrophobicContact CZ-CG 3.91Å; F648-Y669 PolarHBondContact N-O 2.93Å; F648-Y669 PolarHBondContact O-N 3.41Å; I650-Y669 HydrophobicContact CD1-CE2 4.49Å; D662-Y669 PolarHBondContact OD2-OH 3.38Å; N664-Y669 HydrophobicContact CB-CD1 4.19Å; N664-Y669 HydrophobicContact CB-CD2 4.13Å; N664-Y669 HydrophobicContact CB-CE1 3.91Å; N664-Y669 HydrophobicContact CB-CE2 3.84Å; N664-Y669 HydrophobicContact CB-CG 4.29Å
670	C	96	Very high	84.1	Confident	22 Å²	22	52.4 Å²	52.4	15%	0.149	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.7	-172.8	-175	0	0	0	0	111.1	C551 F552 A646	C551-C670 HydrophobicContact CB-CB 4.04Å; C551-C670 WeakPolarHBondContact CB-O 3.29Å; C551-C670 PolarHBondContact N-O 3.03Å; F552-C670 WeakPolarHBondContact CD1-O 3.39Å; F552-C670 WeakPolarHBondContact CE1-O 3.33Å; A646-C670 CarbonylContact O-C 3.54Å; A646-C670 WeakPolarHBondContact O-CA 3.33Å
671	V	95.6	Very high	81.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.3	172.8	-168.3	0	0	0	0	108.3	F548 G549 L550 F552 I577 L584 F636 K645 A646 F648	F548-V671 HydrophobicContact CB-CG1 4.04Å; G549-V671 WeakPolarHBondContact O-CA 3.43Å; G549-V671 WeakPolarHBondContact O-CG1 3.48Å; L550-V671 HydrophobicContact CD2-CG1 4.32Å; L550-V671 HydrophobicContact CD2-CG2 3.78Å; F552-V671 HydrophobicContact CE1-CG2 4.49Å; I577-V671 HydrophobicContact CD1-CG1 3.85Å; L584-V671 HydrophobicContact CD1-CG2 4.17Å; L584-V671 HydrophobicContact CD2-CG2 4.25Å; F636-V671 HydrophobicContact CE1-CB 4.49Å; F636-V671 HydrophobicContact CE2-CG1 4.34Å; F636-V671 HydrophobicContact CZ-CB 4.08Å; F636-V671 HydrophobicContact CZ-CG1 3.78Å; F636-V671 HydrophobicContact CZ-CG2 4.25Å; K645-V671 WeakPolarHBondContact CA-O 3.33Å; A646-V671 HydrophobicContact CB-CB 4.45Å; A646-V671 PolarHBondContact N-O 3.14Å; A646-V671 PolarHBondContact O-N 3.11Å; F648-V671 HydrophobicContact CE1-CG2 4.25Å
672	T	93.3	Very high	79	Confident	28 Å²	28	53.8 Å²	53.8	17%	0.172	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.5	-179.8	-58.7	0	0	0	0	110.2	F548 G549 C551 K645	F548-T672 WeakPolarHBondContact CA-O 3.19Å; G549-T672 PolarHBondContact N-O 2.95Å; G549-T672 PolarHBondContact O-N 2.82Å; C551-T672 PolarHBondContact SG-OG1 3.04Å; K645-T672 WeakPolarHBondContact CE-OG1 3.42Å; K645-T672 HydrophobicContact CG-CG2 4.13Å
673	C	90.9	Very high	76.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136	168.4	-173.1	0	0	0	0	109.5	Q547 F548 M640 V641 G643 D644	Q547-C673 CarbonylContact O-C 3.57Å; Q547-C673 WeakPolarHBondContact O-CA 3.36Å; F548-C673 HydrophobicContact CD1-CB 4.02Å; F548-C673 HydrophobicContact CE1-CB 3.9Å; M640-C673 HydrophobicContact CE-CB 4.17Å; V641-C673 WeakPolarHBondContact O-CB 3.49Å; G643-C673 PolarHBondContact N-O 3.1Å; D644-C673 PolarHBondContact O-N 3.36Å
674	Y	86.1	Confident	74.1	Confident	100 Å²	100	57.3 Å²	57.3	39%	0.392	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.7	175.7	61	-85.2	0	0	0	110.5	Q547	Q547-Y674 HydrophobicContact CB-CD1 4.26Å; Q547-Y674 HydrophobicContact CB-CD2 3.81Å; Q547-Y674 HydrophobicContact CB-CE1 3.87Å; Q547-Y674 HydrophobicContact CB-CE2 3.36Å; Q547-Y674 HydrophobicContact CB-CG 4.23Å; Q547-Y674 HydrophobicContact CG-CE2 4.19Å; Q547-Y674 PolarHBondContact N-O 3.04Å; Q547-Y674 WeakPolarHBondContact O-CD1 3.29Å; Q547-Y674 PolarHBondContact O-N 3.31Å; Q547-Y674 VanDerWaalsContact OE1-CE2 3.26Å; Q547-Y674 PolarHBondContact OE1-OH 3.19Å; Q547-Y674 VanDerWaalsContact OE1-OH 3.09Å
675	A	76.5	Confident	71.9	Confident	34 Å²	34	57.7 Å²	57.7	28%	0.281	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.9	171.5	0	0	0	0	0	107.3	I540 P642 A677	I540-A675 HydrophobicContact CG2-CB 4.49Å; P642-A675 HydrophobicContact CB-CB 3.98Å; P642-A675 HydrophobicContact CG-CB 3.8Å; A675-A677 PolarHBondContact O-N 3.2Å
676	K	67.7	Low	70	Confident	86 Å²	86	56.3 Å²	56.3	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	123.3	153.6	173.4	170.3	-176.9	-159	0	106.4	G544 A545 Q547 T678 D679	G544-K676 WeakPolarHBondContact CA-O 3.38Å; A545-K676 PolarHBondContact N-O 3.3Å; A545-K676 PolarHBondContact O-N 3.37Å; A545-K676 VanDerWaalsContact O-N 3.1Å; Q547-K676 VanDerWaalsContact CD-CB 3.48Å; Q547-K676 HydrophobicContact CG-CB 3.68Å; K676-T678 PolarHBondContact O-N 3.47Å; K676-T678 VanDerWaalsContact O-N 3.09Å; K676-D679 WeakPolarHBondContact CE-OD2 3.31Å; K676-D679 IonicContact NZ-OD2 2.72Å; K676-D679 PolarHBondContact NZ-OD2 2.64Å
677	A	55.3	Low	67.7	Low	64 Å²	64	61.4 Å²	61.4	53%	0.529	36%	0.363	S	S	.	.			trans	-56.5	114.8	160.9	0	0	0	0	0	108	A675	A675-A677 PolarHBondContact O-N 3.2Å
678	T	53.1	Low	65.3	Low	38 Å²	38	61.9 Å²	61.9	23%	0.233	36%	0.364	C	S	.	.			trans	-57.7	140.6	163.5	28.9	0	0	0	0	108	K676 L680	K676-T678 PolarHBondContact O-N 3.47Å; K676-T678 VanDerWaalsContact O-N 3.09Å; T678-L680 PolarHBondContact O-N 3.45Å
679	D	49	Very low	63.1	Low	71 Å²	71	68.7 Å²	68.7	38%	0.38	39%	0.389	S	S	.	.			trans	-78.7	47.1	-173.1	-73.3	-66	0	0	0	112.3	K676 A681 G682 D683	K676-D679 WeakPolarHBondContact CE-OD2 3.31Å; K676-D679 IonicContact NZ-OD2 2.72Å; K676-D679 PolarHBondContact NZ-OD2 2.64Å; D679-A681 PolarHBondContact O-N 2.89Å; D679-G682 PolarHBondContact O-N 3.08Å; D679-D683 HydrophobicContact CB-CB 4.23Å; D679-D683 PolarHBondContact O-N 2.72Å
680	L	49.1	Very low	60.2	Low	61 Å²	61	78.8 Å²	78.8	32%	0.319	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.6	-28.4	165.9	-64.3	153.8	0	0	0	111.8	T678 W686	T678-L680 PolarHBondContact O-N 3.45Å; L680-W686 HydrophobicContact CB-CH2 4.06Å; L680-W686 HydrophobicContact CB-CZ2 3.85Å; L680-W686 HydrophobicContact CD2-CD2 4.35Å; L680-W686 HydrophobicContact CD2-CE3 3.87Å; L680-W686 HydrophobicContact CD2-CH2 3.63Å; L680-W686 HydrophobicContact CD2-CZ2 4.13Å; L680-W686 HydrophobicContact CD2-CZ3 3.49Å; L680-W686 VanDerWaalsContact CD2-CZ3 3.49Å; L680-W686 HydrophobicContact CG-CH2 4.45Å; L680-W686 WeakPolarHBondContact O-CZ2 3.31Å; L680-W686 PolarHBondContact O-NE1 2.9Å
681	A	44.7	Very low	58.5	Low	103 Å²	103	81.7 Å²	81.7	85%	0.851	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-14.9	-179.5	0	0	0	0	0	115.9	D679	D679-A681 PolarHBondContact O-N 2.89Å
682	G	43.6	Very low	56.5	Low	70 Å²	70	85.9 Å²	85.9	72%	0.722	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-169.2	-8.1	-167.1	0	0	0	0	0	123.6	D679	D679-G682 PolarHBondContact O-N 3.08Å
683	D	48	Very low	54.4	Low	102 Å²	102	89.2 Å²	89.2	55%	0.545	50%	0.498	S	S	.	.	S	Bend	trans	-100.3	-6.4	-175.3	75.4	-17.4	0	0	0	115.4	D679 S685	D679-D683 HydrophobicContact CB-CB 4.23Å; D679-D683 PolarHBondContact O-N 2.72Å; D683-S685 WeakPolarHBondContact OD1-CB 3.1Å; D683-S685 PolarHBondContact OD1-N 2.93Å; D683-S685 PolarHBondContact OD1-OG 2.74Å
684	G	43.2	Very low	52.3	Low	43 Å²	43	94.4 Å²	94.4	44%	0.443	53%	0.527	S	S	.	.	S	Bend	trans	89.8	0.3	-175.3	0	0	0	0	0	115.1	W686 M687	G684-W686 PolarHBondContact O-N 3.15Å; G684-M687 WeakPolarHBondContact O-CG 3.47Å; G684-M687 PolarHBondContact O-N 3.07Å
685	S	48.8	Very low	50.2	Low	29 Å²	29	94 Å²	94	20%	0.203	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-61.7	-11.7	-176.8	57.4	0	0	0	0	115.8	D683 M687 H688	D683-S685 WeakPolarHBondContact OD1-CB 3.1Å; D683-S685 PolarHBondContact OD1-N 2.93Å; D683-S685 PolarHBondContact OD1-OG 2.74Å; S685-M687 PolarHBondContact O-N 2.8Å; S685-M687 VanDerWaalsContact O-N 3.07Å; S685-H688 PolarHBondContact O-N 3.14Å
686	W	50.7	Low	48.4	Very low	104 Å²	104	98 Å²	98	39%	0.394	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-49.5	-30.4	167.7	-63.8	105	0	0	0	113.4	L680 G684 H688 Y689	L680-W686 HydrophobicContact CB-CH2 4.06Å; L680-W686 HydrophobicContact CB-CZ2 3.85Å; L680-W686 HydrophobicContact CD2-CD2 4.35Å; L680-W686 HydrophobicContact CD2-CE3 3.87Å; L680-W686 HydrophobicContact CD2-CH2 3.63Å; L680-W686 HydrophobicContact CD2-CZ2 4.13Å; L680-W686 HydrophobicContact CD2-CZ3 3.49Å; L680-W686 VanDerWaalsContact CD2-CZ3 3.49Å; L680-W686 HydrophobicContact CG-CH2 4.45Å; L680-W686 WeakPolarHBondContact O-CZ2 3.31Å; L680-W686 PolarHBondContact O-NE1 2.9Å; G684-W686 PolarHBondContact O-N 3.15Å; W686-H688 PolarHBondContact O-N 3.22Å; W686-Y689 PolarHBondContact O-N 2.84Å
687	M	44.6	Very low	47.1	Very low	158 Å²	158	98.9 Å²	98.9	78%	0.778	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-61.7	-6	-178.2	-69.1	-63.1	-61.4	0	0	114.8	G684 S685	G684-M687 WeakPolarHBondContact O-CG 3.47Å; G684-M687 PolarHBondContact O-N 3.07Å; S685-M687 PolarHBondContact O-N 2.8Å; S685-M687 VanDerWaalsContact O-N 3.07Å
688	H	42.8	Very low	46.4	Very low	158 Å²	158	101.5 Å²	101.5	73%	0.731	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-94.8	-2.6	172.7	-76.1	-72.5	0	0	0	114.7	S685 W686	S685-H688 PolarHBondContact O-N 3.14Å; W686-H688 PolarHBondContact O-N 3.22Å
689	Y	48.8	Very low	45.9	Very low	170 Å²	170	106.8 Å²	106.8	67%	0.667	60%	0.596	S	S	*	*			trans	-129.9	18.3	-168.9	-60.4	-79.4	0	0	0	114.5	W686	W686-Y689 PolarHBondContact O-N 2.84Å
690	L	37.3	Very low	45.6	Very low	213 Å²	213	110.1 Å²	110.1	100%	1.115	62%	0.615	S	S	*	*			trans	-127.9	0	168	-72.8	175.1	0	0	0	109.8

Retrieved 690 of 690 residues in 538.5 ms (Link to these results)

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