G4M0H3_SCHMA Loading...

WD repeat-containing protein 37

AlphaFold DB , UniProt , Accession G4M0H3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26	Very low	28.6	Very low	214 Å²	214	147.7 Å²	147.7	100%	1.054	81%	0.805	S	S	*	*				0	174.4	0	-91.6	179.8	177.2	0	0	110.1
2	F	24.7	Very low	28.6	Very low	207 Å²	207	141.9 Å²	141.9	91%	0.908	81%	0.805	S	S	*	*			trans	-61.6	135.2	-161.5	-75.7	-101.3	0	0	0	115.9
3	T	30	Very low	28.6	Very low	103 Å²	103	146.6 Å²	146.6	63%	0.632	82%	0.816	S	S	*	*			trans	-138	150.9	138.2	-27.5	0	0	0	0	107.9
4	A	29.6	Very low	28.4	Very low	95 Å²	95	144.7 Å²	144.7	79%	0.785	81%	0.81	S	S	*	*			trans	-70.5	151.4	-151.9	0	0	0	0	0	116.3	R6	A4-R6 PolarHBondContact O-N 2.98Å
5	V	23.9	Very low	28.5	Very low	129 Å²	129	146.4 Å²	146.4	78%	0.782	81%	0.814	S	S	*	*			trans	-62.4	122.9	159.7	174.1	0	0	0	0	109.3
6	R	26.5	Very low	28.5	Very low	237 Å²	237	143.9 Å²	143.9	89%	0.894	80%	0.804	S	S	*	*			trans	-139.3	106.9	149.1	-101	-173.2	177.2	179.5	-1.2	109.9	A4	A4-R6 PolarHBondContact O-N 2.98Å
7	T	29	Very low	28.6	Very low	122 Å²	122	142 Å²	142	75%	0.748	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75.9	118.7	162.8	44.8	0	0	0	0	108.7
8	N	27.6	Very low	28.7	Very low	154 Å²	154	142.6 Å²	142.6	82%	0.824	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-101.7	119	164	-113.6	18.9	0	0	0	108.1
9	P	33	Very low	28.7	Very low	118 Å²	118	141.8 Å²	141.8	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-86.5	125.2	154.3	32.5	-25.1	0	0	0	108.5
10	S	32.4	Very low	28.9	Very low	89 Å²	89	142.8 Å²	142.8	62%	0.622	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-102.6	157.7	160.7	61	0	0	0	0	109.2
11	D	31.7	Very low	29	Very low	157 Å²	157	143.1 Å²	143.1	84%	0.84	80%	0.8	S	S	*	*			trans	70.9	108.6	166.5	-37.2	-44.9	0	0	0	115
12	G	29.1	Very low	29.3	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	79%	0.787	S	S	*	*			cis	159.5	124.4	-7	0	0	0	0	0	110.3
13	E	28.3	Very low	29.6	Very low	203 Å²	203	133.5 Å²	133.5	95%	0.949	78%	0.782	S	S	*	*			trans	-149.7	148	164.9	-139.2	170.5	-164.9	0	0	111.3
14	V	26	Very low	29.4	Very low	120 Å²	120	134.8 Å²	134.8	73%	0.727	79%	0.789	S	S	*	*			trans	-88.4	141.9	-166.3	173.5	0	0	0	0	110.6
15	I	29.4	Very low	29.4	Very low	170 Å²	170	136 Å²	136	87%	0.872	79%	0.792	S	S	*	*			trans	-159.9	152.7	140.5	-94.7	139.9	0	0	0	108.8
16	T	28.7	Very low	29.5	Very low	107 Å²	107	135.4 Å²	135.4	66%	0.656	79%	0.789	S	S	*	*			trans	-99.9	-175.6	-154.3	49.6	0	0	0	0	115.4
17	T	30.2	Very low	29.5	Very low	111 Å²	111	130.9 Å²	130.9	68%	0.681	79%	0.792	S	S	*	*			trans	83.3	108.6	150.3	43.1	0	0	0	0	119.9
18	D	31.2	Very low	29.3	Very low	153 Å²	153	130.4 Å²	130.4	82%	0.818	79%	0.789	S	S	*	*				103.4	128.5	126.2	-60.4	-5.1	0	0	0	121.5
19	T	27.8	Very low	29.4	Very low	127 Å²	127	129.7 Å²	129.7	78%	0.779	79%	0.79	S	S	*	*			trans	-81.6	148.8	-172.8	49.5	0	0	0	0	113.2
20	L	33.5	Very low	29.3	Very low	161 Å²	161	130.3 Å²	130.3	84%	0.843	79%	0.787	S	S	*	*			trans	-171.6	117.9	135.1	-102.7	157.5	0	0	0	113.8
21	N	30.5	Very low	29.2	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	79%	0.791	S	S	*	*			trans	10	151.5	154.7	-64.7	-20.1	0	0	0	124.9
22	A	31.8	Very low	29.2	Very low	95 Å²	95	132.1 Å²	132.1	79%	0.785	79%	0.787	S	S	*	*			trans	96.9	157.1	147.8	0	0	0	0	0	117.5
23	P	31.8	Very low	29.2	Very low	123 Å²	123	133.5 Å²	133.5	80%	0.799	78%	0.782	S	S	*	*				-129.5	-174.6	-111.8	29.2	-5.3	0	0	0	116.6
24	V	25.2	Very low	29.3	Very low	130 Å²	130	131.8 Å²	131.8	79%	0.788	78%	0.779	S	S	*	*			trans	-43.3	136.4	-174.7	-176.7	0	0	0	0	116.5	T26	V24-T26 HydrophobicContact CG1-CG2 4.3Å
25	S	29.1	Very low	29.5	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	78%	0.778	S	S	*	*			trans	-127.4	123.5	157.3	-71.7	0	0	0	0	110.6
26	T	25.7	Very low	29.6	Very low	118 Å²	118	129.7 Å²	129.7	72%	0.724	77%	0.772	S	S	*	*			trans	-98.8	143.7	173.7	37.2	0	0	0	0	111.1	V24	V24-T26 HydrophobicContact CG1-CG2 4.3Å
27	C	27	Very low	29.7	Very low	142 Å²	142	131.4 Å²	131.4	96%	0.959	78%	0.776	S	S	*	*			trans	-105	111.4	169.3	-72.1	0	0	0	0	110.2
28	T	25.2	Very low	29.5	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	78%	0.777	S	S	*	*			trans	-93.2	151.5	173.3	32.5	0	0	0	0	112
29	T	29.7	Very low	29.5	Very low	139 Å²	139	130.3 Å²	130.3	85%	0.853	78%	0.779	S	S	*	*			trans	-128.9	87.7	157.2	50.9	0	0	0	0	109.8
30	N	31.3	Very low	29.7	Very low	130 Å²	130	127.8 Å²	127.8	70%	0.695	78%	0.779	S	S	*	*				32.2	149.4	120	-63.8	-3	0	0	0	119.4
31	I	30.9	Very low	29.6	Very low	138 Å²	138	127.6 Å²	127.6	71%	0.708	78%	0.784	S	S	*	*			cis	-170.7	151.2	-6.9	-108.8	164.7	0	0	0	103.6
32	I	30.4	Very low	29.7	Very low	146 Å²	146	123.1 Å²	123.1	75%	0.749	77%	0.774	S	S	*	*			cis	-148	146.1	44.1	-45.9	157.6	0	0	0	109.9
33	P	30.1	Very low	29.7	Very low	107 Å²	107	127.6 Å²	127.6	70%	0.695	78%	0.779	S	S	*	*			trans	-105.8	157.4	157.3	38.1	-29.8	0	0	0	112.3
34	N	30.1	Very low	29.8	Very low	168 Å²	168	130 Å²	130	90%	0.898	78%	0.779	S	S	*	*			trans	-159.5	140.2	153.1	-104.5	-16.2	0	0	0	111.9
35	S	30	Very low	30.1	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	78%	0.777	S	S	*	*			trans	-146.4	178.5	174.7	55.8	0	0	0	0	108.8
36	I	30.5	Very low	30.1	Very low	146 Å²	146	132.7 Å²	132.7	75%	0.749	78%	0.779	S	S	*	*			trans	92.8	110	160.5	-64.2	171.1	0	0	0	117.9
37	I	31.8	Very low	30.3	Very low	143 Å²	143	137.6 Å²	137.6	73%	0.733	79%	0.786	S	S	*	*			trans	87.8	97.9	141.3	-67.9	174.2	0	0	0	121.6
38	T	26.2	Very low	30.4	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	78%	0.775	S	S	*	*			trans	33.6	142	130.8	68.1	0	0	0	0	125
39	S	30.3	Very low	30.6	Very low	123 Å²	123	138.5 Å²	138.5	86%	0.86	78%	0.782	S	S	*	*			trans	93.8	134.3	141.5	78.2	0	0	0	0	119.2
40	G	31.5	Very low	30.6	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	78%	0.781	S	S	*	*			trans	133.2	73	161.7	0	0	0	0	0	118.6
41	V	32	Very low	30.6	Very low	157 Å²	157	144 Å²	144	95%	0.952	78%	0.784	S	S	*	*			trans	32.5	132.9	139.3	-169.1	0	0	0	0	121.6
42	G	32	Very low	30.5	Very low	58 Å²	58	145.7 Å²	145.7	60%	0.598	79%	0.794	S	S	*	*			trans	121.1	110.1	161.7	0	0	0	0	0	112.9
43	E	33	Very low	30.4	Very low	189 Å²	189	146.1 Å²	146.1	88%	0.883	79%	0.794	S	S	*	*				65.5	118.3	85.5	-75.7	176.9	-169.4	0	0	112.1
44	E	33.1	Very low	30.3	Very low	172 Å²	172	145 Å²	145	80%	0.804	80%	0.802	S	S	*	*			cis	-147.7	159.3	2.9	-81.7	175	143.5	0	0	111.1
45	D	31.6	Very low	30.4	Very low	140 Å²	140	144.9 Å²	144.9	75%	0.749	80%	0.796	S	S	*	*			trans	34.3	102.1	152.2	-65.8	-4.3	0	0	0	121.9
46	N	30.7	Very low	30.2	Very low	167 Å²	167	151 Å²	151	89%	0.893	81%	0.806	S	S	*	*			trans	-151.4	128.9	133.9	-125.1	-40.7	0	0	0	112.6	L48	N46-L48 PolarHBondContact O-N 2.72Å; N46-L48 VanDerWaalsContact O-N 3.09Å
47	Y	28.3	Very low	30.6	Very low	221 Å²	221	149.6 Å²	149.6	87%	0.867	80%	0.804	S	S	*	*			trans	-76.6	91.9	-174.5	-87	-101.1	0	0	0	112.6
48	L	30.1	Very low	30.9	Very low	137 Å²	137	145 Å²	145	72%	0.717	79%	0.793	S	S	*	*			trans	-140.6	102.5	159.4	-76.9	179.4	0	0	0	111.5	N46 W50	N46-L48 PolarHBondContact O-N 2.72Å; N46-L48 VanDerWaalsContact O-N 3.09Å; L48-W50 PolarHBondContact O-N 2.99Å
49	T	29.4	Very low	31.8	Very low	137 Å²	137	145.9 Å²	145.9	84%	0.84	80%	0.8	S	S	*	*			trans	-70.8	88.1	173.3	36.2	0	0	0	0	111.8	H51	T49-H51 PolarHBondContact O-N 3.2Å; T49-H51 VanDerWaalsContact O-N 3.14Å
50	W	30	Very low	32.4	Very low	219 Å²	219	146.3 Å²	146.3	83%	0.83	80%	0.797	S	S	*	*			trans	-76.8	90	165.7	-72.1	96.6	0	0	0	110.4	L48	L48-W50 PolarHBondContact O-N 2.99Å
51	H	31	Very low	33.1	Very low	164 Å²	164	150.7 Å²	150.7	76%	0.759	80%	0.798	S	S	*	*			trans	-76.3	144.1	164.3	-97.2	42.6	0	0	0	110.8	T49 M53	T49-H51 PolarHBondContact O-N 3.2Å; T49-H51 VanDerWaalsContact O-N 3.14Å; H51-M53 PolarHBondContact O-N 2.88Å
52	L	28.2	Very low	34.2	Very low	174 Å²	174	145.8 Å²	145.8	91%	0.911	77%	0.77	S	S	*	*			trans	-59.2	106.6	176.1	-83.7	67.2	0	0	0	110.6
53	M	28.7	Very low	36.3	Very low	155 Å²	155	150.1 Å²	150.1	76%	0.764	79%	0.785	S	S	*	*			trans	-132.4	98	164.5	-72	-73.2	-86.4	0	0	107.9	H51 E55	H51-M53 PolarHBondContact O-N 2.88Å; M53-E55 VanDerWaalsContact C-N 3.31Å; M53-E55 PolarHBondContact O-N 3.42Å; M53-E55 VanDerWaalsContact O-N 3.07Å
54	G	28.6	Very low	38.1	Very low	84 Å²	84	144.8 Å²	144.8	87%	0.866	76%	0.762	S	S	*	*			trans	-75.6	86.6	166	0	0	0	0	0	108.8	Y56	G54-Y56 PolarHBondContact O-N 3.01Å
55	E	30.6	Very low	40.4	Very low	165 Å²	165	140.9 Å²	140.9	77%	0.771	75%	0.752	S	S	*	*			trans	-62.1	118.9	179	-71.5	-170.5	141.5	0	0	110.9	M53 T57	M53-E55 VanDerWaalsContact C-N 3.31Å; M53-E55 PolarHBondContact O-N 3.42Å; M53-E55 VanDerWaalsContact O-N 3.07Å; E55-T57 PolarHBondContact O-N 3.09Å
56	Y	27.1	Very low	42.2	Very low	228 Å²	228	142.6 Å²	142.6	89%	0.894	75%	0.748	S	S	*	*			trans	-75.6	89.8	175.4	-160.4	-91.6	0	0	0	109	G54 G58	G54-Y56 PolarHBondContact O-N 3.01Å; Y56-G58 PolarHBondContact O-N 2.97Å
57	T	38.2	Very low	44.3	Very low	117 Å²	117	140.3 Å²	140.3	72%	0.718	73%	0.732	S	S	*	*			trans	-61.5	122.9	173.7	56.8	0	0	0	0	109.4	E55	E55-T57 PolarHBondContact O-N 3.09Å
58	G	38.9	Very low	46.7	Very low	48 Å²	48	134 Å²	134	50%	0.495	71%	0.709	S	S	.	*			trans	-60.8	-178.2	179.2	0	0	0	0	0	114.2	Y56 V60	Y56-G58 PolarHBondContact O-N 2.97Å; G58-V60 PolarHBondContact O-N 3.09Å
59	P	43.7	Very low	48.8	Very low	134 Å²	134	131.1 Å²	131.1	87%	0.87	69%	0.689	S	S	*	*	S	Bend	trans	-56.5	115.2	-171.1	23.5	-34.1	0	0	0	111.5	E61	P59-E61 PolarHBondContact O-N 2.84Å
60	V	44.3	Very low	51	Low	132 Å²	132	129.3 Å²	129.3	80%	0.8	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-49	123.6	-175.9	-179.9	0	0	0	0	110.3	G58 S62	G58-V60 PolarHBondContact O-N 3.09Å; V60-S62 PolarHBondContact O-N 3.41Å
61	E	46.5	Very low	53.3	Low	167 Å²	167	125.9 Å²	125.9	78%	0.78	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-53.6	126.8	176	-74.2	-158.5	112.4	0	0	110	P59 V63	P59-E61 PolarHBondContact O-N 2.84Å; E61-V63 PolarHBondContact O-N 3.4Å
62	S	54.8	Low	55.6	Low	53 Å²	53	120.7 Å²	120.7	37%	0.371	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-59.5	136.9	-175.7	90.6	0	0	0	0	110.7	V60 L64 R69	V60-S62 PolarHBondContact O-N 3.41Å; S62-L64 PolarHBondContact O-N 3.23Å; S62-R69 PolarHBondContact O-NH2 3.18Å; S62-R69 VanDerWaalsContact O-NH2 3.12Å; S62-R69 PolarHBondContact OG-NE 3.44Å; S62-R69 PolarHBondContact OG-NH2 2.94Å
63	V	74.7	Confident	57.8	Low	150 Å²	150	118 Å²	118	91%	0.909	62%	0.618	S	S	*	*	S	Bend	trans	-49	-21	177.6	-173.1	0	0	0	0	114.3	E61	E61-V63 PolarHBondContact O-N 3.4Å
64	L	72.2	Confident	60.1	Low	77 Å²	77	118.6 Å²	118.6	40%	0.403	62%	0.616	S	S	.	*	S	Bend	trans	-79.3	128.9	177.4	-62.9	178.4	0	0	0	112.9	S62 F68 R69 L72	S62-L64 PolarHBondContact O-N 3.23Å; L64-F68 HydrophobicContact CB-CD1 4.3Å; L64-F68 HydrophobicContact CD1-CD1 4.2Å; L64-F68 HydrophobicContact CD1-CE1 4.26Å; L64-F68 HydrophobicContact CD2-CD1 3.92Å; L64-F68 HydrophobicContact CD2-CE1 3.98Å; L64-F68 HydrophobicContact CG-CD1 4.37Å; L64-R69 PolarHBondContact O-NH2 3.07Å; L64-L72 HydrophobicContact CD1-CD1 4.06Å
65	P	80	Confident	62.5	Low	90 Å²	90	118.4 Å²	118.4	58%	0.584	59%	0.592	S	S	*	*			trans	-53	141.2	174	-27.8	34.9	0	0	0	113	E67 F68 R69	P65-E67 VanDerWaalsContact C-N 3.3Å; P65-E67 PolarHBondContact O-N 2.72Å; P65-F68 HydrophobicContact CB-CB 4.48Å; P65-F68 WeakPolarHBondContact O-CA 3.37Å; P65-F68 WeakPolarHBondContact O-CB 3.48Å; P65-F68 PolarHBondContact O-N 3.35Å; P65-R69 PolarHBondContact O-N 3.45Å
66	R	70.3	Confident	64.8	Low	175 Å²	175	114.7 Å²	114.7	66%	0.66	57%	0.574	S	S	*	*	H	α-helix	trans	-49.7	-46.6	-176.2	-172.8	179.7	-179	178.9	1.5	113.2	F68 R69 Q70	R66-F68 VanDerWaalsContact C-N 3.31Å; R66-F68 PolarHBondContact O-N 2.99Å; R66-R69 WeakPolarHBondContact O-CB 3.32Å; R66-R69 PolarHBondContact O-N 3.46Å; R66-Q70 WeakPolarHBondContact O-CG 3.49Å; R66-Q70 PolarHBondContact O-N 2.94Å
67	E	75.1	Confident	66.9	Low	119 Å²	119	105.6 Å²	105.6	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-64.3	-30.4	178.3	-60.7	-49.8	124.2	0	0	114	P65 R71	P65-E67 VanDerWaalsContact C-N 3.3Å; P65-E67 PolarHBondContact O-N 2.72Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.28Å; E67-R71 PolarHBondContact O-NE 3.38Å
68	F	77.5	Confident	68.8	Low	90 Å²	90	107.1 Å²	107.1	40%	0.395	54%	0.538	S	S	.	.	H	α-helix	trans	-77.8	-41.3	174.3	-174	-106.2	0	0	0	110.8	L64 P65 R66 R71 L72	L64-F68 HydrophobicContact CB-CD1 4.3Å; L64-F68 HydrophobicContact CD1-CD1 4.2Å; L64-F68 HydrophobicContact CD1-CE1 4.26Å; L64-F68 HydrophobicContact CD2-CD1 3.92Å; L64-F68 HydrophobicContact CD2-CE1 3.98Å; L64-F68 HydrophobicContact CG-CD1 4.37Å; P65-F68 HydrophobicContact CB-CB 4.48Å; P65-F68 WeakPolarHBondContact O-CA 3.37Å; P65-F68 WeakPolarHBondContact O-CB 3.48Å; P65-F68 PolarHBondContact O-N 3.35Å; R66-F68 VanDerWaalsContact C-N 3.31Å; R66-F68 PolarHBondContact O-N 2.99Å; F68-R71 PolarHBondContact O-N 3.42Å; F68-L72 HydrophobicContact CD1-CD1 3.78Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CE1-CD1 3.41Å; F68-L72 VanDerWaalsContact CE1-CD1 3.41Å; F68-L72 HydrophobicContact CE1-CG 4.09Å; F68-L72 HydrophobicContact CZ-CD1 4.04Å; F68-L72 HydrophobicContact CZ-CG 4.29Å; F68-L72 PolarHBondContact O-N 3.43Å
69	R	75.8	Confident	70.5	Confident	75 Å²	75	107.8 Å²	107.8	28%	0.283	53%	0.53	S	S	.	.	H	α-helix	trans	-58.7	-47.9	175	-156.5	-173	-52.1	161.9	6.5	111.6	S62 L64 P65 R66 L72 H73	S62-R69 PolarHBondContact O-NH2 3.18Å; S62-R69 VanDerWaalsContact O-NH2 3.12Å; S62-R69 PolarHBondContact OG-NE 3.44Å; S62-R69 PolarHBondContact OG-NH2 2.94Å; L64-R69 PolarHBondContact O-NH2 3.07Å; P65-R69 PolarHBondContact O-N 3.45Å; R66-R69 WeakPolarHBondContact O-CB 3.32Å; R66-R69 PolarHBondContact O-N 3.46Å; R69-L72 WeakPolarHBondContact O-CB 3.41Å; R69-L72 PolarHBondContact O-N 3.43Å; R69-H73 PolarHBondContact O-CD2 3.21Å; R69-H73 PolarHBondContact O-N 3.23Å
70	Q	74.2	Confident	72	Confident	100 Å²	100	106.8 Å²	106.8	47%	0.467	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-41.5	177.1	-73.4	-175.3	-1.7	0	0	112.9	R66 H73 K74	R66-Q70 WeakPolarHBondContact O-CG 3.49Å; R66-Q70 PolarHBondContact O-N 2.94Å; Q70-H73 PolarHBondContact O-N 3.12Å; Q70-K74 WeakPolarHBondContact O-CB 3.29Å; Q70-K74 PolarHBondContact O-N 3.4Å
71	R	78.6	Confident	73.4	Confident	147 Å²	147	107.6 Å²	107.6	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-45.2	173.5	-77.2	-179.3	-68.7	165.7	-0.9	111.6	E67 F68 K74 H75	E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.28Å; E67-R71 PolarHBondContact O-NE 3.38Å; F68-R71 PolarHBondContact O-N 3.42Å; R71-K74 PolarHBondContact O-N 2.75Å; R71-H75 PolarHBondContact O-CD2 2.87Å; R71-H75 PolarHBondContact O-N 3.05Å
72	L	78.5	Confident	74.8	Confident	54 Å²	54	102.3 Å²	102.3	28%	0.283	48%	0.478	S	S	.	.	H	α-helix	trans	-57	-50.3	174	-83.7	173	0	0	0	111.8	L64 F68 R69 K74 H75 F76	L64-L72 HydrophobicContact CD1-CD1 4.06Å; F68-L72 HydrophobicContact CD1-CD1 3.78Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CE1-CD1 3.41Å; F68-L72 VanDerWaalsContact CE1-CD1 3.41Å; F68-L72 HydrophobicContact CE1-CG 4.09Å; F68-L72 HydrophobicContact CZ-CD1 4.04Å; F68-L72 HydrophobicContact CZ-CG 4.29Å; F68-L72 PolarHBondContact O-N 3.43Å; R69-L72 WeakPolarHBondContact O-CB 3.41Å; R69-L72 PolarHBondContact O-N 3.43Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.32Å; L72-H75 PolarHBondContact O-N 3.15Å; L72-H75 VanDerWaalsContact O-N 3.09Å; L72-F76 HydrophobicContact CB-CD2 4.29Å; L72-F76 HydrophobicContact CB-CE2 4.08Å; L72-F76 HydrophobicContact CD2-CE2 3.93Å; L72-F76 HydrophobicContact CD2-CZ 4.3Å; L72-F76 WeakPolarHBondContact O-CD2 3.43Å; L72-F76 PolarHBondContact O-N 2.97Å
73	H	75.8	Confident	75.7	Confident	119 Å²	119	105.1 Å²	105.1	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-57.6	-41.8	175.8	-75.2	-67.3	0	0	0	112.3	R69 Q70 H75 F76 A77	R69-H73 PolarHBondContact O-CD2 3.21Å; R69-H73 PolarHBondContact O-N 3.23Å; Q70-H73 PolarHBondContact O-N 3.12Å; H73-H75 VanDerWaalsContact C-N 3.32Å; H73-H75 PolarHBondContact O-N 3.05Å; H73-F76 PolarHBondContact O-N 2.91Å; H73-A77 WeakPolarHBondContact O-CB 3.41Å; H73-A77 PolarHBondContact O-N 2.84Å
74	K	77.4	Confident	75.5	Confident	166 Å²	166	100.7 Å²	100.7	72%	0.722	45%	0.453	S	S	*	.	H	α-helix	trans	-64.7	-34.1	176.4	-170.1	173.6	-178.1	175.5	0	112.8	Q70 R71 L72 R78	Q70-K74 WeakPolarHBondContact O-CB 3.29Å; Q70-K74 PolarHBondContact O-N 3.4Å; R71-K74 PolarHBondContact O-N 2.75Å; L72-K74 VanDerWaalsContact C-N 3.31Å; L72-K74 PolarHBondContact O-N 3.32Å; K74-R78 WeakPolarHBondContact O-CB 3.5Å; K74-R78 PolarHBondContact O-N 2.88Å
75	H	78.4	Confident	75.8	Confident	80 Å²	80	103.8 Å²	103.8	37%	0.37	46%	0.459	S	S	.	.	H	α-helix	trans	-73.4	-45.9	174	-74.9	-67.9	0	0	0	112.2	R71 L72 H73 R78 I79	R71-H75 PolarHBondContact O-CD2 2.87Å; R71-H75 PolarHBondContact O-N 3.05Å; L72-H75 PolarHBondContact O-N 3.15Å; L72-H75 VanDerWaalsContact O-N 3.09Å; H73-H75 VanDerWaalsContact C-N 3.32Å; H73-H75 PolarHBondContact O-N 3.05Å; H75-R78 WeakPolarHBondContact O-CB 3.47Å; H75-R78 PolarHBondContact O-N 3.44Å; H75-R78 VanDerWaalsContact O-N 3.15Å; H75-I79 WeakPolarHBondContact O-CG1 3.34Å; H75-I79 PolarHBondContact O-N 3.32Å
76	F	77.7	Confident	75.5	Confident	88 Å²	88	101.9 Å²	101.9	39%	0.386	44%	0.442	S	S	.	.	H	α-helix	trans	-60.2	-50.2	175.8	-71.3	-56.6	0	0	0	111.4	L72 H73 R78 I79 E80	L72-F76 HydrophobicContact CB-CD2 4.29Å; L72-F76 HydrophobicContact CB-CE2 4.08Å; L72-F76 HydrophobicContact CD2-CE2 3.93Å; L72-F76 HydrophobicContact CD2-CZ 4.3Å; L72-F76 WeakPolarHBondContact O-CD2 3.43Å; L72-F76 PolarHBondContact O-N 2.97Å; H73-F76 PolarHBondContact O-N 2.91Å; F76-R78 PolarHBondContact O-N 3.32Å; F76-I79 WeakPolarHBondContact O-CA 3.34Å; F76-I79 WeakPolarHBondContact O-CB 3.46Å; F76-I79 PolarHBondContact O-N 3.21Å; F76-E80 WeakPolarHBondContact O-CG 3.47Å; F76-E80 PolarHBondContact O-N 3.41Å
77	A	71.5	Confident	75.6	Confident	36 Å²	36	97.3 Å²	97.3	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-64	-14.5	176.9	0	0	0	0	0	114.1	H73 E80 R81	H73-A77 WeakPolarHBondContact O-CB 3.41Å; H73-A77 PolarHBondContact O-N 2.84Å; A77-E80 WeakPolarHBondContact CA-OE2 3.4Å; A77-R81 PolarHBondContact O-NE 3.07Å; A77-R81 PolarHBondContact O-NH2 3.08Å; A77-R81 VanDerWaalsContact O-NH2 3.1Å
78	R	78.7	Confident	75.5	Confident	150 Å²	150	98.9 Å²	98.9	57%	0.566	43%	0.426	S	S	*	.	H	α-helix	trans	-84.7	-44.2	168.3	-176.7	179.5	179.3	-174.9	-0.8	111	K74 H75 F76 E80 R81 E82	K74-R78 WeakPolarHBondContact O-CB 3.5Å; K74-R78 PolarHBondContact O-N 2.88Å; H75-R78 WeakPolarHBondContact O-CB 3.47Å; H75-R78 PolarHBondContact O-N 3.44Å; H75-R78 VanDerWaalsContact O-N 3.15Å; F76-R78 PolarHBondContact O-N 3.32Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-R81 PolarHBondContact O-N 2.93Å; R78-E82 WeakPolarHBondContact O-CG 3.46Å; R78-E82 PolarHBondContact O-N 3.24Å
79	I	75.5	Confident	75.6	Confident	62 Å²	62	101 Å²	101	32%	0.318	43%	0.432	S	S	.	.	H	α-helix	trans	-61.1	-43.3	177.4	-68	164.2	0	0	0	110.6	H75 F76 E82 F83 L143	H75-I79 WeakPolarHBondContact O-CG1 3.34Å; H75-I79 PolarHBondContact O-N 3.32Å; F76-I79 WeakPolarHBondContact O-CA 3.34Å; F76-I79 WeakPolarHBondContact O-CB 3.46Å; F76-I79 PolarHBondContact O-N 3.21Å; I79-E82 PolarHBondContact O-N 2.85Å; I79-F83 WeakPolarHBondContact O-CB 3.41Å; I79-F83 PolarHBondContact O-N 3.47Å; I79-L143 HydrophobicContact CD1-CD1 4.35Å
80	E	73.7	Confident	75.5	Confident	113 Å²	113	100 Å²	100	53%	0.528	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-50.5	178	-71.9	162.2	156.5	0	0	111.1	F76 A77 R78 E82 F83 E84	F76-E80 WeakPolarHBondContact O-CG 3.47Å; F76-E80 PolarHBondContact O-N 3.41Å; A77-E80 WeakPolarHBondContact CA-OE2 3.4Å; R78-E80 VanDerWaalsContact C-N 3.33Å; E80-E82 PolarHBondContact O-N 2.91Å; E80-F83 PolarHBondContact O-N 3.41Å; E80-F83 VanDerWaalsContact O-N 3.15Å; E80-E84 WeakPolarHBondContact O-CG 3.44Å; E80-E84 PolarHBondContact O-N 3.36Å
81	R	74.8	Confident	75.3	Confident	148 Å²	148	98.6 Å²	98.6	56%	0.558	42%	0.423	S	S	*	.	H	α-helix	trans	-59.4	-38.2	174.8	-92	178.9	-71.6	162.9	-7.7	114.6	A77 R78 R85	A77-R81 PolarHBondContact O-NE 3.07Å; A77-R81 PolarHBondContact O-NH2 3.08Å; A77-R81 VanDerWaalsContact O-NH2 3.1Å; R78-R81 PolarHBondContact O-N 2.93Å; R81-R85 WeakPolarHBondContact O-CB 3.18Å; R81-R85 PolarHBondContact O-N 3.09Å; R81-R85 VanDerWaalsContact O-N 3.11Å
82	E	75	Confident	75.1	Confident	57 Å²	57	94.5 Å²	94.5	27%	0.266	42%	0.417	S	S	.	.	H	α-helix	trans	-70.8	-39.7	175.8	-68.9	-60.5	139.7	0	0	111.4	R78 I79 E80 R85 E86 L139	R78-E82 WeakPolarHBondContact O-CG 3.46Å; R78-E82 PolarHBondContact O-N 3.24Å; I79-E82 PolarHBondContact O-N 2.85Å; E80-E82 PolarHBondContact O-N 2.91Å; E82-R85 PolarHBondContact O-N 3.18Å; E82-R85 IonicContact OE1-CZ 3.68Å; E82-R85 VanDerWaalsContact OE1-CZ 3.28Å; E82-R85 IonicContact OE1-NH1 3.03Å; E82-R85 PolarHBondContact OE1-NH1 2.84Å; E82-R85 IonicContact OE1-NH2 2.75Å; E82-R85 PolarHBondContact OE1-NH2 2.95Å; E82-R85 IonicContact OE2-CZ 3.51Å; E82-R85 IonicContact OE2-NH1 2.73Å; E82-R85 PolarHBondContact OE2-NH1 2.95Å; E82-E86 PolarHBondContact O-N 2.86Å; E82-E86 VanDerWaalsContact O-N 3.17Å; E82-L139 HydrophobicContact CB-CD2 4.17Å; E82-L139 HydrophobicContact CG-CD2 4.29Å
83	F	74.1	Confident	75	Confident	111 Å²	111	95.8 Å²	95.8	49%	0.487	42%	0.423	S	S	.	.	H	α-helix	trans	-64.1	-46.2	176	-176.7	-96.6	0	0	0	111.6	I79 E80 R85 E86 Y87 Y132	I79-F83 WeakPolarHBondContact O-CB 3.41Å; I79-F83 PolarHBondContact O-N 3.47Å; E80-F83 PolarHBondContact O-N 3.41Å; E80-F83 VanDerWaalsContact O-N 3.15Å; F83-R85 VanDerWaalsContact C-N 3.34Å; F83-R85 PolarHBondContact O-N 3.36Å; F83-E86 PolarHBondContact O-N 3.31Å; F83-Y87 WeakPolarHBondContact O-CB 3.27Å; F83-Y87 PolarHBondContact O-N 2.86Å; F83-Y132 HydrophobicContact CE2-CD2 4.4Å; F83-Y132 HydrophobicContact CE2-CE2 4.11Å
84	E	70.5	Confident	74.7	Confident	57 Å²	57	92.4 Å²	92.4	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-42.3	173.3	-78.6	173.5	-120.7	0	0	112.5	E80 Y87 R88	E80-E84 WeakPolarHBondContact O-CG 3.44Å; E80-E84 PolarHBondContact O-N 3.36Å; E84-Y87 PolarHBondContact O-N 3.1Å; E84-R88 WeakPolarHBondContact O-CB 3.11Å; E84-R88 VanDerWaalsContact O-CG 3.26Å; E84-R88 WeakPolarHBondContact O-CG 3.49Å; E84-R88 PolarHBondContact O-N 3.44Å; E84-R88 IonicContact OE2-CZ 3.28Å; E84-R88 IonicContact OE2-NE 2.96Å; E84-R88 IonicContact OE2-NH2 2.77Å; E84-R88 PolarHBondContact OE2-NH2 2.81Å
85	R	78.1	Confident	74.7	Confident	143 Å²	143	87.6 Å²	87.6	54%	0.54	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-48.4	-179.2	-168	-172	-58.4	131.6	8.7	111.4	R81 E82 F83 R89	R81-R85 WeakPolarHBondContact O-CB 3.18Å; R81-R85 PolarHBondContact O-N 3.09Å; R81-R85 VanDerWaalsContact O-N 3.11Å; E82-R85 PolarHBondContact O-N 3.18Å; E82-R85 IonicContact OE1-CZ 3.68Å; E82-R85 VanDerWaalsContact OE1-CZ 3.28Å; E82-R85 IonicContact OE1-NH1 3.03Å; E82-R85 PolarHBondContact OE1-NH1 2.84Å; E82-R85 IonicContact OE1-NH2 2.75Å; E82-R85 PolarHBondContact OE1-NH2 2.95Å; E82-R85 IonicContact OE2-CZ 3.51Å; E82-R85 IonicContact OE2-NH1 2.73Å; E82-R85 PolarHBondContact OE2-NH1 2.95Å; F83-R85 VanDerWaalsContact C-N 3.34Å; F83-R85 PolarHBondContact O-N 3.36Å; R85-R89 WeakPolarHBondContact O-CB 3.49Å; R85-R89 PolarHBondContact O-N 3.45Å; R85-R89 VanDerWaalsContact O-N 3.16Å
86	E	75.2	Confident	74.6	Confident	49 Å²	49	85.8 Å²	85.8	23%	0.229	39%	0.391	C	S	.	.	H	α-helix	trans	-68.6	-34.4	175.6	-84.6	-74.3	124.6	0	0	112.1	E82 F83 R89 L90 Q131	E82-E86 PolarHBondContact O-N 2.86Å; E82-E86 VanDerWaalsContact O-N 3.17Å; F83-E86 PolarHBondContact O-N 3.31Å; E86-R89 PolarHBondContact O-N 2.84Å; E86-R89 IonicContact OE1-NH1 3.93Å; E86-R89 PolarHBondContact OE1-NH1 3.4Å; E86-L90 WeakPolarHBondContact O-CB 3.34Å; E86-L90 WeakPolarHBondContact O-CG 3.36Å; E86-L90 PolarHBondContact O-N 2.71Å; E86-Q131 PolarHBondContact OE2-NE2 2.86Å; E86-Q131 VanDerWaalsContact OE2-NE2 3.07Å
87	Y	71	Confident	74.4	Confident	79 Å²	79	85.9 Å²	85.9	31%	0.31	40%	0.395	S	S	.	.	H	α-helix	trans	-66.3	-47.8	176.3	-173.8	-91.5	0	0	0	112.2	F83 E84 R89 L90 Y91 Q508	F83-Y87 WeakPolarHBondContact O-CB 3.27Å; F83-Y87 PolarHBondContact O-N 2.86Å; E84-Y87 PolarHBondContact O-N 3.1Å; Y87-R89 VanDerWaalsContact C-N 3.29Å; Y87-R89 PolarHBondContact O-N 3.07Å; Y87-L90 PolarHBondContact O-N 2.83Å; Y87-Y91 VanDerWaalsContact O-CB 3.32Å; Y87-Y91 WeakPolarHBondContact O-CB 3.45Å; Y87-Y91 PolarHBondContact O-N 3.42Å; Y87-Q508 HydrophobicContact CE1-CB 3.7Å; Y87-Q508 HydrophobicContact CE1-CG 4.02Å
88	R	73.2	Confident	74.4	Confident	152 Å²	152	89 Å²	89	57%	0.574	40%	0.403	S	S	*	.	H	α-helix	trans	-59.3	-40.7	175.8	-70.1	179.2	-149.9	-179.6	5.2	111.3	E84 Y91 S92	E84-R88 WeakPolarHBondContact O-CB 3.11Å; E84-R88 VanDerWaalsContact O-CG 3.26Å; E84-R88 WeakPolarHBondContact O-CG 3.49Å; E84-R88 PolarHBondContact O-N 3.44Å; E84-R88 IonicContact OE2-CZ 3.28Å; E84-R88 IonicContact OE2-NE 2.96Å; E84-R88 IonicContact OE2-NH2 2.77Å; E84-R88 PolarHBondContact OE2-NH2 2.81Å; R88-Y91 PolarHBondContact O-N 2.98Å; R88-S92 PolarHBondContact O-N 3.44Å; R88-S92 PolarHBondContact O-OG 2.72Å
89	R	79	Confident	74.2	Confident	135 Å²	135	86.6 Å²	86.6	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-62.5	-50.8	174.7	-179.3	-171.6	178.3	-176.8	6.1	112.2	R85 E86 Y87 Y91 S92 D93	R85-R89 WeakPolarHBondContact O-CB 3.49Å; R85-R89 PolarHBondContact O-N 3.45Å; R85-R89 VanDerWaalsContact O-N 3.16Å; E86-R89 PolarHBondContact O-N 2.84Å; E86-R89 IonicContact OE1-NH1 3.93Å; E86-R89 PolarHBondContact OE1-NH1 3.4Å; Y87-R89 VanDerWaalsContact C-N 3.29Å; Y87-R89 PolarHBondContact O-N 3.07Å; R89-Y91 PolarHBondContact O-N 3.46Å; R89-S92 PolarHBondContact O-N 2.88Å; R89-S92 PolarHBondContact O-OG 2.92Å; R89-D93 WeakPolarHBondContact O-CB 3.37Å; R89-D93 VanDerWaalsContact O-CG 3.25Å; R89-D93 PolarHBondContact O-N 3.24Å
90	L	74.1	Confident	74.1	Confident	53 Å²	53	91.1 Å²	91.1	28%	0.277	41%	0.411	S	S	.	.	H	α-helix	trans	-60.8	-34.9	176.4	-80.7	169.3	0	0	0	112	E86 Y87 N94	E86-L90 WeakPolarHBondContact O-CB 3.34Å; E86-L90 WeakPolarHBondContact O-CG 3.36Å; E86-L90 PolarHBondContact O-N 2.71Å; Y87-L90 PolarHBondContact O-N 2.83Å; L90-N94 WeakPolarHBondContact O-CB 3.46Å; L90-N94 PolarHBondContact O-N 3.24Å
91	Y	70.9	Confident	73.8	Confident	72 Å²	72	90.2 Å²	90.2	28%	0.282	41%	0.41	S	S	.	.	H	α-helix	trans	-69.6	-43.5	176.2	-170.2	-89.6	0	0	0	112.1	Y87 R88 R89 N94 L95	Y87-Y91 VanDerWaalsContact O-CB 3.32Å; Y87-Y91 WeakPolarHBondContact O-CB 3.45Å; Y87-Y91 PolarHBondContact O-N 3.42Å; R88-Y91 PolarHBondContact O-N 2.98Å; R89-Y91 PolarHBondContact O-N 3.46Å; Y91-N94 PolarHBondContact O-N 3.33Å; Y91-L95 PolarHBondContact O-N 2.78Å
92	S	73.8	Confident	73.6	Confident	61 Å²	61	89.1 Å²	89.1	43%	0.427	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-39.3	174.1	56.3	0	0	0	0	112.3	R88 R89 N94 L95 A96	R88-S92 PolarHBondContact O-N 3.44Å; R88-S92 PolarHBondContact O-OG 2.72Å; R89-S92 PolarHBondContact O-N 2.88Å; R89-S92 PolarHBondContact O-OG 2.92Å; S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3.02Å; S92-L95 PolarHBondContact O-N 2.67Å; S92-A96 WeakPolarHBondContact O-CB 3.34Å; S92-A96 PolarHBondContact O-N 2.88Å
93	D	77	Confident	73.3	Confident	80 Å²	80	93.4 Å²	93.4	43%	0.428	43%	0.428	S	S	.	.	H	α-helix	trans	-65.1	-36.8	175.2	-68.3	-11.9	0	0	0	111	R89 L97	R89-D93 WeakPolarHBondContact O-CB 3.37Å; R89-D93 VanDerWaalsContact O-CG 3.25Å; R89-D93 PolarHBondContact O-N 3.24Å; D93-L97 VanDerWaalsContact O-CG 3.28Å; D93-L97 WeakPolarHBondContact O-CG 3.48Å; D93-L97 PolarHBondContact O-N 2.96Å
94	N	69.9	Low	72.6	Confident	48 Å²	48	96 Å²	96	26%	0.257	44%	0.44	S	S	.	.	H	α-helix	trans	-68	-45.2	175.8	-160.1	-84	0	0	0	112.2	L90 Y91 S92 A96 L97 Q98	L90-N94 WeakPolarHBondContact O-CB 3.46Å; L90-N94 PolarHBondContact O-N 3.24Å; Y91-N94 PolarHBondContact O-N 3.33Å; S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3.02Å; N94-A96 PolarHBondContact O-N 3.49Å; N94-L97 WeakPolarHBondContact O-CB 3.32Å; N94-L97 PolarHBondContact O-N 3.05Å; N94-L97 VanDerWaalsContact O-N 3.11Å; N94-Q98 WeakPolarHBondContact O-CG 3.36Å; N94-Q98 PolarHBondContact O-N 3.26Å
95	L	75.9	Confident	72	Confident	65 Å²	65	99.3 Å²	99.3	34%	0.34	46%	0.455	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.6	-174.3	66.4	0	0	0	111.3	Y91 S92 L97 Q98 E99	Y91-L95 PolarHBondContact O-N 2.78Å; S92-L95 PolarHBondContact O-N 2.67Å; L95-L97 VanDerWaalsContact C-N 3.25Å; L95-L97 PolarHBondContact O-N 2.67Å; L95-Q98 PolarHBondContact O-N 2.79Å; L95-Q98 VanDerWaalsContact O-N 3.15Å; L95-E99 PolarHBondContact O-N 3.18Å
96	A	77.1	Confident	70.9	Confident	43 Å²	43	99.7 Å²	99.7	36%	0.355	47%	0.468	S	S	.	.	H	α-helix	trans	-65.8	-26.2	175.2	0	0	0	0	0	113.3	S92 N94 R100	S92-A96 WeakPolarHBondContact O-CB 3.34Å; S92-A96 PolarHBondContact O-N 2.88Å; N94-A96 PolarHBondContact O-N 3.49Å; A96-R100 WeakPolarHBondContact O-CD 3.44Å; A96-R100 VanDerWaalsContact O-CG 3.27Å; A96-R100 WeakPolarHBondContact O-CG 3.41Å; A96-R100 PolarHBondContact O-N 3.1Å
97	L	73.6	Confident	69.6	Low	90 Å²	90	99 Å²	99	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-75.1	-40	170.1	-75.7	168.4	0	0	0	111.8	D93 N94 L95 R100 L101	D93-L97 VanDerWaalsContact O-CG 3.28Å; D93-L97 WeakPolarHBondContact O-CG 3.48Å; D93-L97 PolarHBondContact O-N 2.96Å; N94-L97 WeakPolarHBondContact O-CB 3.32Å; N94-L97 PolarHBondContact O-N 3.05Å; N94-L97 VanDerWaalsContact O-N 3.11Å; L95-L97 VanDerWaalsContact C-N 3.25Å; L95-L97 PolarHBondContact O-N 2.67Å; L97-R100 PolarHBondContact O-N 2.67Å; L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 PolarHBondContact O-N 3.21Å
98	Q	70.5	Confident	68.1	Low	101 Å²	101	103.3 Å²	103.3	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-48.6	174.2	-71.7	178.2	-32.7	0	0	111.4	N94 L95 R100 L101 E102	N94-Q98 WeakPolarHBondContact O-CG 3.36Å; N94-Q98 PolarHBondContact O-N 3.26Å; L95-Q98 PolarHBondContact O-N 2.79Å; L95-Q98 VanDerWaalsContact O-N 3.15Å; Q98-R100 PolarHBondContact O-N 2.81Å; Q98-R100 VanDerWaalsContact O-N 3.16Å; Q98-L101 WeakPolarHBondContact O-CB 3.5Å; Q98-L101 PolarHBondContact O-N 3.01Å; Q98-E102 PolarHBondContact O-N 2.79Å
99	E	74.9	Confident	67.2	Low	99 Å²	99	103.1 Å²	103.1	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-24.6	175.4	-71.5	-173.8	175.9	0	0	113.7	L95 K103	L95-E99 PolarHBondContact O-N 3.18Å; E99-K103 VanDerWaalsContact O-CD 3.26Å; E99-K103 WeakPolarHBondContact O-CD 3.28Å; E99-K103 WeakPolarHBondContact O-CE 3.36Å; E99-K103 VanDerWaalsContact O-CG 3.25Å; E99-K103 WeakPolarHBondContact O-CG 3.41Å
100	R	74	Confident	65.9	Low	158 Å²	158	102.7 Å²	102.7	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-79.3	-38.9	171.6	-76.5	172.1	-178.5	177.9	1.9	111.3	A96 L97 Q98 K103 F104	A96-R100 WeakPolarHBondContact O-CD 3.44Å; A96-R100 VanDerWaalsContact O-CG 3.27Å; A96-R100 WeakPolarHBondContact O-CG 3.41Å; A96-R100 PolarHBondContact O-N 3.1Å; L97-R100 PolarHBondContact O-N 2.67Å; Q98-R100 PolarHBondContact O-N 2.81Å; Q98-R100 VanDerWaalsContact O-N 3.16Å; R100-K103 PolarHBondContact O-N 3.38Å; R100-F104 WeakPolarHBondContact O-CD2 3.47Å; R100-F104 PolarHBondContact O-N 3.38Å; R100-F104 VanDerWaalsContact O-N 3.15Å
101	L	66.8	Low	64.8	Low	94 Å²	94	107.8 Å²	107.8	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-66.5	-44.5	-179.2	-138	144	0	0	0	111	L97 Q98 K103 F104 E105	L97-L101 WeakPolarHBondContact O-CB 3.39Å; L97-L101 PolarHBondContact O-N 3.21Å; Q98-L101 WeakPolarHBondContact O-CB 3.5Å; Q98-L101 PolarHBondContact O-N 3.01Å; L101-K103 VanDerWaalsContact C-N 3.32Å; L101-K103 PolarHBondContact O-N 2.9Å; L101-F104 PolarHBondContact O-N 3.23Å; L101-E105 HydrophobicContact CD2-CG 4.49Å; L101-E105 PolarHBondContact O-N 3.25Å
102	E	70.7	Confident	63.8	Low	125 Å²	125	107.1 Å²	107.1	58%	0.584	55%	0.552	S	S	*	*	H	α-helix	trans	-54.6	-46.3	171.9	-69.2	175.5	175.6	0	0	111.3	Q98 F104 E105 D106	Q98-E102 PolarHBondContact O-N 2.79Å; E102-F104 PolarHBondContact O-N 3.39Å; E102-E105 PolarHBondContact O-N 3.26Å; E102-E105 VanDerWaalsContact O-N 3.1Å; E102-D106 PolarHBondContact O-N 2.9Å
103	K	69.8	Low	62.7	Low	146 Å²	146	110 Å²	110	64%	0.635	56%	0.561	S	S	*	*	H	α-helix	trans	-66.9	-16.9	176.7	-69.2	171.1	-168	170	0	114.7	E99 R100 L101	E99-K103 VanDerWaalsContact O-CD 3.26Å; E99-K103 WeakPolarHBondContact O-CD 3.28Å; E99-K103 WeakPolarHBondContact O-CE 3.36Å; E99-K103 VanDerWaalsContact O-CG 3.25Å; E99-K103 WeakPolarHBondContact O-CG 3.41Å; R100-K103 PolarHBondContact O-N 3.38Å; L101-K103 VanDerWaalsContact C-N 3.32Å; L101-K103 PolarHBondContact O-N 2.9Å
104	F	58.8	Low	61.3	Low	165 Å²	165	111.4 Å²	111.4	72%	0.724	57%	0.573	S	S	*	*	H	α-helix	trans	-90.4	-23.8	172.8	-83.1	-66.1	0	0	0	112.3	R100 L101 E102	R100-F104 WeakPolarHBondContact O-CD2 3.47Å; R100-F104 PolarHBondContact O-N 3.38Å; R100-F104 VanDerWaalsContact O-N 3.15Å; L101-F104 PolarHBondContact O-N 3.23Å; E102-F104 PolarHBondContact O-N 3.39Å
105	E	57.5	Low	60.2	Low	127 Å²	127	114.7 Å²	114.7	59%	0.593	59%	0.589	S	S	*	*	H	α-helix	trans	-76.9	-26.3	175.9	-70.9	-177.1	166	0	0	112.6	L101 E102 G107	L101-E105 HydrophobicContact CD2-CG 4.49Å; L101-E105 PolarHBondContact O-N 3.25Å; E102-E105 PolarHBondContact O-N 3.26Å; E102-E105 VanDerWaalsContact O-N 3.1Å; E105-G107 PolarHBondContact O-N 2.97Å
106	D	55.4	Low	59.1	Low	151 Å²	151	115.5 Å²	115.5	81%	0.807	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	2.3	172.4	-72.9	-29.2	0	0	0	114.3	E102	E102-D106 PolarHBondContact O-N 2.9Å
107	G	47.8	Very low	57.7	Low	35 Å²	35	121.7 Å²	121.7	36%	0.361	62%	0.616	S	S	.	*	S	Bend	trans	-104.3	120.8	-177.6	0	0	0	0	0	114.2	E105 H109	E105-G107 PolarHBondContact O-N 2.97Å; G107-H109 VanDerWaalsContact C-N 3.26Å; G107-H109 PolarHBondContact O-N 2.94Å
108	D	40.2	Very low	56.5	Low	169 Å²	169	125.6 Å²	125.6	90%	0.904	63%	0.629	S	S	*	*			trans	-65.2	64	-179.6	-94.7	-29	0	0	0	114.6
109	H	52.6	Low	55.4	Low	148 Å²	148	126.6 Å²	126.6	69%	0.685	64%	0.637	S	S	*	*			trans	-127.1	122.8	-179.5	-65.6	-22.5	0	0	0	113.1	G107 E111 T112	G107-H109 VanDerWaalsContact C-N 3.26Å; G107-H109 PolarHBondContact O-N 2.94Å; H109-E111 PolarHBondContact O-N 3.14Å; H109-E111 VanDerWaalsContact O-N 3.16Å; H109-T112 PolarHBondContact O-OG1 3.07Å
110	S	53.3	Low	54	Low	126 Å²	126	123.7 Å²	123.7	88%	0.881	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	1.6	-173.1	48.9	0	0	0	0	115.4
111	E	50.5	Low	53	Low	160 Å²	160	120 Å²	120	75%	0.748	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-14.3	178.7	-58.5	-167.7	152.2	0	0	113.4	H109 I113 T114	H109-E111 PolarHBondContact O-N 3.14Å; H109-E111 VanDerWaalsContact O-N 3.16Å; E111-I113 VanDerWaalsContact C-N 3.31Å; E111-I113 PolarHBondContact O-N 3.44Å; E111-I113 VanDerWaalsContact O-N 3.15Å; E111-T114 PolarHBondContact O-N 2.81Å
112	T	48.9	Very low	52.5	Low	59 Å²	59	120 Å²	120	36%	0.362	65%	0.645	S	S	.	*	H	α-helix	trans	-58.9	-31.3	-167.6	-59.1	0	0	0	0	114.8	H109 T114 L115 V116	H109-T112 PolarHBondContact O-OG1 3.07Å; T112-T114 VanDerWaalsContact C-N 3.26Å; T112-T114 PolarHBondContact O-N 3.32Å; T112-L115 PolarHBondContact O-N 3.06Å; T112-V116 HydrophobicContact CG2-CG2 3.78Å; T112-V116 WeakPolarHBondContact O-CG2 3.39Å; T112-V116 PolarHBondContact O-N 2.89Å
113	I	51.2	Low	52	Low	120 Å²	120	118.6 Å²	118.6	62%	0.615	64%	0.64	S	S	*	*	H	α-helix	trans	-65.4	-27.3	-175.5	-61.9	177.6	0	0	0	112.7	E111	E111-I113 VanDerWaalsContact C-N 3.31Å; E111-I113 PolarHBondContact O-N 3.44Å; E111-I113 VanDerWaalsContact O-N 3.15Å
114	T	48.5	Very low	51.4	Low	111 Å²	111	115 Å²	115	68%	0.681	63%	0.627	S	S	*	*	H	α-helix	trans	-89.3	-27.5	-175.1	-41.2	0	0	0	0	112.6	E111 T112	E111-T114 PolarHBondContact O-N 2.81Å; T112-T114 VanDerWaalsContact C-N 3.26Å; T112-T114 PolarHBondContact O-N 3.32Å
115	L	45.5	Very low	51.5	Low	116 Å²	116	109.7 Å²	109.7	61%	0.607	61%	0.61	S	S	*	*	H	α-helix	trans	-91.1	-39.5	-173.7	-138.4	142.5	0	0	0	111.6	T112 K117 K118 L119	T112-L115 PolarHBondContact O-N 3.06Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-K118 PolarHBondContact O-N 2.81Å; L115-L119 HydrophobicContact CD2-CD1 3.63Å; L115-L119 PolarHBondContact O-N 2.79Å
116	V	52.6	Low	51.9	Low	82 Å²	82	108.6 Å²	108.6	50%	0.497	61%	0.605	S	S	.	*	H	α-helix	trans	-62.6	-39	175.8	174.9	0	0	0	0	111.8	T112 K118 L119	T112-V116 HydrophobicContact CG2-CG2 3.78Å; T112-V116 WeakPolarHBondContact O-CG2 3.39Å; T112-V116 PolarHBondContact O-N 2.89Å; V116-K118 PolarHBondContact O-N 2.83Å; V116-L119 PolarHBondContact O-N 3.12Å
117	K	49.6	Very low	52.4	Low	173 Å²	173	109.9 Å²	109.9	75%	0.752	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-19.3	174.5	-74.5	-179.1	177.9	175.3	0	114	L115	L115-K117 PolarHBondContact O-N 3.49Å
118	K	46.5	Very low	53.1	Low	173 Å²	173	111.2 Å²	111.2	75%	0.752	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-14.7	-175.5	-140.6	170.6	-173.5	175.9	0	113.9	L115 V116	L115-K118 PolarHBondContact O-N 2.81Å; V116-K118 PolarHBondContact O-N 2.83Å
119	L	48.5	Very low	54.5	Low	121 Å²	121	110.2 Å²	110.2	63%	0.634	59%	0.585	S	S	*	*	S	Bend	trans	-103.7	11.3	176.3	-90.6	130.9	0	0	0	114	L115 V116	L115-L119 HydrophobicContact CD2-CD1 3.63Å; L115-L119 PolarHBondContact O-N 2.79Å; V116-L119 PolarHBondContact O-N 3.12Å
120	G	45.4	Very low	55.5	Low	39 Å²	39	108.5 Å²	108.5	40%	0.402	58%	0.577	S	S	.	*			trans	-50.3	153.1	179.8	0	0	0	0	0	114.1	S122 M123	G120-S122 PolarHBondContact O-N 3.18Å; G120-M123 PolarHBondContact O-N 2.76Å
121	A	53.7	Low	56.1	Low	81 Å²	81	105.4 Å²	105.4	67%	0.669	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	-19	-165.2	0	0	0	0	0	117	L124 S125	A121-L124 PolarHBondContact O-N 2.85Å; A121-S125 VanDerWaalsContact O-CB 3.26Å; A121-S125 WeakPolarHBondContact O-CB 3.21Å; A121-S125 PolarHBondContact O-N 2.79Å
122	S	55.6	Low	56.9	Low	93 Å²	93	104.4 Å²	104.4	65%	0.65	54%	0.539	S	S	*	.	H	α-helix	trans	-49.6	-53.1	167.9	-175.5	0	0	0	0	113.4	G120 L124 S125 Q126	G120-S122 PolarHBondContact O-N 3.18Å; S122-L124 PolarHBondContact O-N 3Å; S122-S125 PolarHBondContact O-N 3.36Å; S122-Q126 WeakPolarHBondContact O-CB 3.44Å; S122-Q126 PolarHBondContact O-N 2.82Å
123	M	60.4	Low	58.1	Low	96 Å²	96	109.3 Å²	109.3	47%	0.473	56%	0.555	S	S	.	*	H	α-helix	trans	-65.2	-38.3	-176.9	-79.2	-69.1	-73.4	0	0	112.4	G120 R127	G120-M123 PolarHBondContact O-N 2.76Å; M123-R127 PolarHBondContact O-N 3.27Å
124	L	56.8	Low	58.9	Low	70 Å²	70	108.6 Å²	108.6	37%	0.366	55%	0.549	S	S	.	.	H	α-helix	trans	-66.4	-47.4	175.1	-170.3	85.9	0	0	0	110.9	A121 S122 Q126 R127 I128	A121-L124 PolarHBondContact O-N 2.85Å; S122-L124 PolarHBondContact O-N 3Å; L124-Q126 VanDerWaalsContact C-N 3.28Å; L124-Q126 PolarHBondContact O-N 3.43Å; L124-R127 PolarHBondContact O-N 3.09Å; L124-I128 HydrophobicContact CD2-CD1 4.17Å; L124-I128 HydrophobicContact CG-CD1 4.04Å; L124-I128 WeakPolarHBondContact O-CG1 3.22Å; L124-I128 PolarHBondContact O-N 2.98Å
125	S	61	Low	59.7	Low	54 Å²	54	104.5 Å²	104.5	38%	0.378	53%	0.525	S	S	.	.	H	α-helix	trans	-60	-38.2	177	-172.2	0	0	0	0	111.8	A121 S122 I128 K129	A121-S125 VanDerWaalsContact O-CB 3.26Å; A121-S125 WeakPolarHBondContact O-CB 3.21Å; A121-S125 PolarHBondContact O-N 2.79Å; S122-S125 PolarHBondContact O-N 3.36Å; S125-I128 PolarHBondContact O-N 3.14Å; S125-K129 WeakPolarHBondContact O-CB 3.46Å; S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 2.79Å
126	Q	65.8	Low	60.6	Low	104 Å²	104	101.2 Å²	101.2	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-43.5	174.5	-168.3	176	10.2	0	0	112.2	S122 L124 K129 Q130	S122-Q126 WeakPolarHBondContact O-CB 3.44Å; S122-Q126 PolarHBondContact O-N 2.82Å; L124-Q126 VanDerWaalsContact C-N 3.28Å; L124-Q126 PolarHBondContact O-N 3.43Å; Q126-K129 PolarHBondContact O-N 3.22Å; Q126-Q130 WeakPolarHBondContact O-CG 3.09Å; Q126-Q130 PolarHBondContact O-N 3.34Å
127	R	65.9	Low	61.5	Low	178 Å²	178	100.5 Å²	100.5	67%	0.672	51%	0.509	S	S	*	.	H	α-helix	trans	-61.5	-45.1	172.9	-80	-174.5	174.2	173.7	-0.3	112.2	M123 L124 K129 Q130 Q131	M123-R127 PolarHBondContact O-N 3.27Å; L124-R127 PolarHBondContact O-N 3.09Å; R127-K129 VanDerWaalsContact C-N 3.35Å; R127-K129 PolarHBondContact O-N 2.99Å; R127-Q130 PolarHBondContact O-N 3.24Å; R127-Q131 WeakPolarHBondContact O-CB 3.22Å; R127-Q131 PolarHBondContact O-N 2.76Å
128	I	62.9	Low	62.4	Low	62 Å²	62	100 Å²	100	32%	0.318	50%	0.502	S	S	.	.	H	α-helix	trans	-60.6	-43.7	176.8	-67.7	166.5	0	0	0	110.7	L124 S125 Q131 Y132	L124-I128 HydrophobicContact CD2-CD1 4.17Å; L124-I128 HydrophobicContact CG-CD1 4.04Å; L124-I128 WeakPolarHBondContact O-CG1 3.22Å; L124-I128 PolarHBondContact O-N 2.98Å; S125-I128 PolarHBondContact O-N 3.14Å; I128-Q131 PolarHBondContact O-N 3.03Å; I128-Y132 VanDerWaalsContact O-CB 3.28Å; I128-Y132 WeakPolarHBondContact O-CB 3.27Å; I128-Y132 PolarHBondContact O-N 3.07Å
129	K	70.2	Confident	63	Low	149 Å²	149	93.9 Å²	93.9	65%	0.648	48%	0.477	S	S	*	.	H	α-helix	trans	-61.8	-42.2	174.6	-76.1	175	-179.3	179.2	0	112.4	S125 Q126 R127 K133	S125-K129 WeakPolarHBondContact O-CB 3.46Å; S125-K129 WeakPolarHBondContact O-CG 3.47Å; S125-K129 PolarHBondContact O-N 2.79Å; Q126-K129 PolarHBondContact O-N 3.22Å; R127-K129 VanDerWaalsContact C-N 3.35Å; R127-K129 PolarHBondContact O-N 2.99Å; K129-K133 WeakPolarHBondContact O-CB 3.43Å; K129-K133 PolarHBondContact O-N 2.97Å
130	Q	71.8	Confident	63.8	Low	112 Å²	112	92 Å²	92	52%	0.523	47%	0.47	S	S	.	.	H	α-helix	trans	-65.1	-46.5	176.3	-78.2	-176.6	-14.6	0	0	112.1	Q126 R127 K133 Q134	Q126-Q130 WeakPolarHBondContact O-CG 3.09Å; Q126-Q130 PolarHBondContact O-N 3.34Å; R127-Q130 PolarHBondContact O-N 3.24Å; Q130-K133 PolarHBondContact O-N 2.94Å; Q130-Q134 WeakPolarHBondContact O-CG 3.49Å; Q130-Q134 PolarHBondContact O-N 2.91Å
131	Q	67.6	Low	64.8	Low	60 Å²	60	92.9 Å²	92.9	28%	0.28	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-39.4	179.3	-170.2	162.4	-22	0	0	111.4	E86 R127 I128 K133 Q134 S135	E86-Q131 PolarHBondContact OE2-NE2 2.86Å; E86-Q131 VanDerWaalsContact OE2-NE2 3.07Å; R127-Q131 WeakPolarHBondContact O-CB 3.22Å; R127-Q131 PolarHBondContact O-N 2.76Å; I128-Q131 PolarHBondContact O-N 3.03Å; Q131-K133 PolarHBondContact O-N 3.08Å; Q131-Q134 PolarHBondContact O-N 3.24Å; Q131-S135 WeakPolarHBondContact O-CB 3.27Å; Q131-S135 PolarHBondContact O-N 3.36Å; Q131-S135 PolarHBondContact O-OG 3.15Å
132	Y	65.5	Low	65.4	Low	140 Å²	140	91.3 Å²	91.3	55%	0.549	46%	0.455	S	S	.	.	H	α-helix	trans	-58.4	-44.6	170.6	179.9	-96.1	0	0	0	112.1	F83 I128 Q134 S135 T136	F83-Y132 HydrophobicContact CE2-CD2 4.4Å; F83-Y132 HydrophobicContact CE2-CE2 4.11Å; I128-Y132 VanDerWaalsContact O-CB 3.28Å; I128-Y132 WeakPolarHBondContact O-CB 3.27Å; I128-Y132 PolarHBondContact O-N 3.07Å; Y132-Q134 VanDerWaalsContact C-N 3.34Å; Y132-Q134 PolarHBondContact O-N 2.8Å; Y132-S135 PolarHBondContact O-N 3.16Å; Y132-T136 HydrophobicContact CD1-CG2 4.25Å; Y132-T136 HydrophobicContact CD2-CG2 4.29Å; Y132-T136 HydrophobicContact CE1-CG2 3.84Å; Y132-T136 HydrophobicContact CE2-CG2 3.89Å; Y132-T136 HydrophobicContact CG-CG2 4.47Å; Y132-T136 WeakPolarHBondContact O-CB 3.22Å; Y132-T136 WeakPolarHBondContact O-CG2 3.37Å; Y132-T136 PolarHBondContact O-N 2.78Å; Y132-T136 PolarHBondContact O-OG1 3.22Å
133	K	74.2	Confident	65.4	Low	161 Å²	161	90 Å²	90	70%	0.7	44%	0.44	S	S	*	.	H	α-helix	trans	-63	-38.4	176.7	-169.8	177.1	-178.6	-179.8	0	112.1	K129 Q130 Q131 T136 S137	K129-K133 WeakPolarHBondContact O-CB 3.43Å; K129-K133 PolarHBondContact O-N 2.97Å; Q130-K133 PolarHBondContact O-N 2.94Å; Q131-K133 PolarHBondContact O-N 3.08Å; K133-T136 WeakPolarHBondContact CA-OG1 3.38Å; K133-T136 PolarHBondContact O-OG1 3.07Å; K133-T136 VanDerWaalsContact O-OG1 3.13Å; K133-S137 WeakPolarHBondContact O-CB 3.41Å; K133-S137 PolarHBondContact O-N 3.22Å; K133-S137 VanDerWaalsContact O-N 3.12Å; K133-S137 PolarHBondContact O-OG 2.83Å
134	Q	68.4	Low	65.2	Low	105 Å²	105	94.8 Å²	94.8	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-71.3	-44.9	176.7	-71.1	-178.6	3.8	0	0	112.6	Q130 Q131 Y132 S137 R138	Q130-Q134 WeakPolarHBondContact O-CG 3.49Å; Q130-Q134 PolarHBondContact O-N 2.91Å; Q131-Q134 PolarHBondContact O-N 3.24Å; Y132-Q134 VanDerWaalsContact C-N 3.34Å; Y132-Q134 PolarHBondContact O-N 2.8Å; Q134-S137 PolarHBondContact O-N 3.43Å; Q134-S137 PolarHBondContact O-OG 2.85Å; Q134-R138 WeakPolarHBondContact O-CG 3.42Å; Q134-R138 PolarHBondContact O-N 2.82Å
135	S	65.3	Low	64.9	Low	25 Å²	25	99.6 Å²	99.6	18%	0.175	47%	0.473	C	S	.	.	H	α-helix	trans	-68.2	-39.7	179.9	-64.4	0	0	0	0	111.9	Q131 Y132 R138 L139	Q131-S135 WeakPolarHBondContact O-CB 3.27Å; Q131-S135 PolarHBondContact O-N 3.36Å; Q131-S135 PolarHBondContact O-OG 3.15Å; Y132-S135 PolarHBondContact O-N 3.16Å; S135-R138 PolarHBondContact O-N 3.23Å; S135-L139 WeakPolarHBondContact O-CG 3.31Å; S135-L139 PolarHBondContact O-N 2.92Å
136	T	65.3	Low	64.1	Low	47 Å²	47	100.9 Å²	100.9	29%	0.288	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-41.3	172.4	50.2	0	0	0	0	112.1	Y132 K133 R138 L139 V140	Y132-T136 HydrophobicContact CD1-CG2 4.25Å; Y132-T136 HydrophobicContact CD2-CG2 4.29Å; Y132-T136 HydrophobicContact CE1-CG2 3.84Å; Y132-T136 HydrophobicContact CE2-CG2 3.89Å; Y132-T136 HydrophobicContact CG-CG2 4.47Å; Y132-T136 WeakPolarHBondContact O-CB 3.22Å; Y132-T136 WeakPolarHBondContact O-CG2 3.37Å; Y132-T136 PolarHBondContact O-N 2.78Å; Y132-T136 PolarHBondContact O-OG1 3.22Å; K133-T136 WeakPolarHBondContact CA-OG1 3.38Å; K133-T136 PolarHBondContact O-OG1 3.07Å; K133-T136 VanDerWaalsContact O-OG1 3.13Å; T136-R138 PolarHBondContact O-N 2.82Å; T136-L139 PolarHBondContact O-N 3.13Å; T136-V140 WeakPolarHBondContact O-CG2 3.42Å; T136-V140 PolarHBondContact O-N 3.44Å
137	S	70	Confident	62.7	Low	68 Å²	68	101.5 Å²	101.5	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-37.9	175.7	66.7	0	0	0	0	112.9	K133 Q134 V140 S141	K133-S137 WeakPolarHBondContact O-CB 3.41Å; K133-S137 PolarHBondContact O-N 3.22Å; K133-S137 VanDerWaalsContact O-N 3.12Å; K133-S137 PolarHBondContact O-OG 2.83Å; Q134-S137 PolarHBondContact O-N 3.43Å; Q134-S137 PolarHBondContact O-OG 2.85Å; S137-V140 PolarHBondContact O-N 2.83Å; S137-S141 PolarHBondContact O-N 3.3Å; S137-S141 PolarHBondContact O-OG 2.84Å
138	R	68.9	Low	61.2	Low	162 Å²	162	95.9 Å²	95.9	61%	0.611	49%	0.491	S	S	*	.	H	α-helix	trans	-65.5	-41.1	175	-74.1	174.1	-177.7	165.8	2.6	112.5	Q134 S135 T136 S141 S142	Q134-R138 WeakPolarHBondContact O-CG 3.42Å; Q134-R138 PolarHBondContact O-N 2.82Å; S135-R138 PolarHBondContact O-N 3.23Å; T136-R138 PolarHBondContact O-N 2.82Å; R138-S141 WeakPolarHBondContact CA-OG 3.37Å; R138-S141 PolarHBondContact O-N 2.9Å; R138-S141 PolarHBondContact O-OG 2.86Å; R138-S142 WeakPolarHBondContact O-CB 3.49Å; R138-S142 PolarHBondContact O-N 3.14Å
139	L	59.9	Low	59.8	Low	45 Å²	45	102.3 Å²	102.3	24%	0.236	52%	0.52	C	S	.	.	H	α-helix	trans	-62.6	-49.3	174.7	-75.5	170.2	0	0	0	110.6	E82 S135 T136 S141 S142 L143	E82-L139 HydrophobicContact CB-CD2 4.17Å; E82-L139 HydrophobicContact CG-CD2 4.29Å; S135-L139 WeakPolarHBondContact O-CG 3.31Å; S135-L139 PolarHBondContact O-N 2.92Å; T136-L139 PolarHBondContact O-N 3.13Å; L139-S141 PolarHBondContact O-N 2.76Å; L139-S142 PolarHBondContact O-N 2.59Å; L139-S142 PolarHBondContact O-OG 2.92Å; L139-L143 PolarHBondContact O-N 2.83Å
140	V	65.6	Low	58	Low	80 Å²	80	100.8 Å²	100.8	49%	0.485	53%	0.528	S	S	.	.	H	α-helix	trans	-60.7	-40.2	178.3	172.3	0	0	0	0	112.2	T136 S137 L143 R144	T136-V140 WeakPolarHBondContact O-CG2 3.42Å; T136-V140 PolarHBondContact O-N 3.44Å; S137-V140 PolarHBondContact O-N 2.83Å; V140-L143 PolarHBondContact O-N 2.62Å; V140-R144 PolarHBondContact O-N 2.91Å; V140-R144 VanDerWaalsContact O-N 3.07Å
141	S	66.9	Low	56.2	Low	59 Å²	59	100.4 Å²	100.4	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-67	-39.2	175.5	60.3	0	0	0	0	112.3	S137 R138 L139 L143 R144 Q145	S137-S141 PolarHBondContact O-N 3.3Å; S137-S141 PolarHBondContact O-OG 2.84Å; R138-S141 WeakPolarHBondContact CA-OG 3.37Å; R138-S141 PolarHBondContact O-N 2.9Å; R138-S141 PolarHBondContact O-OG 2.86Å; L139-S141 PolarHBondContact O-N 2.76Å; S141-L143 VanDerWaalsContact C-N 3.3Å; S141-L143 PolarHBondContact O-N 2.82Å; S141-R144 PolarHBondContact O-N 2.87Å; S141-Q145 PolarHBondContact O-N 3.38Å
142	S	64.5	Low	54.6	Low	48 Å²	48	102.2 Å²	102.2	34%	0.336	56%	0.557	S	S	.	*	H	α-helix	trans	-65.2	-33.1	175.9	78	0	0	0	0	113	R138 L139	R138-S142 WeakPolarHBondContact O-CB 3.49Å; R138-S142 PolarHBondContact O-N 3.14Å; L139-S142 PolarHBondContact O-N 2.59Å; L139-S142 PolarHBondContact O-OG 2.92Å
143	L	56.3	Low	53	Low	66 Å²	66	102.1 Å²	102.1	35%	0.346	57%	0.566	S	S	.	*	H	α-helix	trans	-73.1	-33.4	175.7	-82.3	153.8	0	0	0	112.5	I79 L139 V140 S141 S146	I79-L143 HydrophobicContact CD1-CD1 4.35Å; L139-L143 PolarHBondContact O-N 2.83Å; V140-L143 PolarHBondContact O-N 2.62Å; S141-L143 VanDerWaalsContact C-N 3.3Å; S141-L143 PolarHBondContact O-N 2.82Å; L143-S146 PolarHBondContact O-OG 2.8Å; L143-S146 VanDerWaalsContact O-OG 3.1Å
144	R	56.5	Low	51	Low	196 Å²	196	102.2 Å²	102.2	74%	0.74	57%	0.572	S	S	*	*	H	α-helix	trans	-70	-29.7	174.4	-76.6	-175.8	174.7	-169.3	-2.1	113.2	V140 S141 S146	V140-R144 PolarHBondContact O-N 2.91Å; V140-R144 VanDerWaalsContact O-N 3.07Å; S141-R144 PolarHBondContact O-N 2.87Å; R144-S146 PolarHBondContact O-N 2.98Å
145	Q	50.9	Low	49.2	Very low	170 Å²	170	100.3 Å²	100.3	79%	0.794	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-14.2	-179.5	-75.1	177.1	-13.6	0	0	114	S141	S141-Q145 PolarHBondContact O-N 3.38Å
146	S	44.4	Very low	47.6	Very low	82 Å²	82	108.9 Å²	108.9	57%	0.573	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	9.6	179.4	59.1	0	0	0	0	115.6	L143 R144	L143-S146 PolarHBondContact O-OG 2.8Å; L143-S146 VanDerWaalsContact O-OG 3.1Å; R144-S146 PolarHBondContact O-N 2.98Å
147	T	36.5	Very low	45.8	Very low	116 Å²	116	110.1 Å²	110.1	71%	0.712	64%	0.64	S	S	*	*	S	Bend	trans	-137.9	76	179.9	49.1	0	0	0	0	111.6
148	G	33	Very low	43.8	Very low	61 Å²	61	113.4 Å²	113.4	63%	0.629	66%	0.661	S	S	*	*			trans	-173.4	140.6	170.9	0	0	0	0	0	112.2
149	H	34.2	Very low	41.7	Very low	197 Å²	197	111.7 Å²	111.7	91%	0.912	67%	0.669	S	S	*	*			trans	76.5	89.4	174.5	-50.2	-62.2	0	0	0	117.8
150	S	32.4	Very low	40.3	Very low	116 Å²	116	120.9 Å²	120.9	81%	0.811	70%	0.702	S	S	*	*			trans	-119.5	97.4	159.5	55.4	0	0	0	0	110.1
151	S	34.3	Very low	38.6	Very low	104 Å²	104	121.9 Å²	121.9	73%	0.727	71%	0.713	S	S	*	*			trans	-174.2	119.7	160.2	51.7	0	0	0	0	113.4
152	S	32.8	Very low	36.6	Very low	99 Å²	99	125.6 Å²	125.6	69%	0.692	73%	0.733	S	S	*	*			trans	48.8	105.4	147.3	61	0	0	0	0	121.5
153	N	31.9	Very low	34.9	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	75%	0.754	S	S	*	*				158	112	119.7	-80.7	-15.2	0	0	0	109.4
154	I	33.2	Very low	33.4	Very low	163 Å²	163	134.6 Å²	134.6	84%	0.836	78%	0.777	S	S	*	*				63.1	113.3	91.7	-62.4	171.6	0	0	0	112.9
155	G	29.8	Very low	32.1	Very low	65 Å²	65	131.1 Å²	131.1	67%	0.67	78%	0.779	S	S	*	*			trans	107.2	111.7	153.7	0	0	0	0	0	116.2
156	Q	31.9	Very low	31	Very low	205 Å²	205	125.8 Å²	125.8	96%	0.958	77%	0.77	S	S	*	*			trans	62.4	128.4	159.6	-55.4	171.5	-6.6	0	0	115.9
157	G	27.3	Very low	30.2	Very low	73 Å²	73	129.7 Å²	129.7	75%	0.753	78%	0.783	S	S	*	*			cis	136.7	98.2	9	0	0	0	0	0	109.2
158	C	28.7	Very low	29.8	Very low	136 Å²	136	131.1 Å²	131.1	92%	0.919	79%	0.792	S	S	*	*			trans	-161.5	116.6	159.9	-114.8	0	0	0	0	109.8
159	T	25.7	Very low	29.4	Very low	126 Å²	126	133 Å²	133	77%	0.773	80%	0.801	S	S	*	*			trans	-85.6	139	-175.3	46.5	0	0	0	0	112.2
160	Y	30.2	Very low	29.3	Very low	238 Å²	238	127.8 Å²	127.8	93%	0.933	79%	0.792	S	S	*	*			trans	-133.6	131.6	142.1	-84.8	-74.1	0	0	0	110
161	S	28.9	Very low	28.9	Very low	101 Å²	101	128 Å²	128	71%	0.706	79%	0.789	S	S	*	*			trans	-89	140.1	-160.6	47.2	0	0	0	0	113.6
162	V	24.5	Very low	28.4	Very low	137 Å²	137	128.9 Å²	128.9	83%	0.83	79%	0.794	S	S	*	*			trans	-76.7	132.2	158.1	174.2	0	0	0	0	108.7
163	T	28.9	Very low	28.1	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	80%	0.797	S	S	*	*			trans	-128.2	109.1	161.3	48.1	0	0	0	0	109.5
164	Q	25.7	Very low	27.7	Very low	178 Å²	178	127 Å²	127	83%	0.832	80%	0.798	S	S	*	*			trans	-92.2	148.5	161.3	-148.3	-177.3	16.9	0	0	107.8
165	P	29.6	Very low	27.4	Very low	122 Å²	122	125.8 Å²	125.8	79%	0.792	80%	0.797	S	S	*	*				-134	161.1	125.5	34	-22.8	0	0	0	111
166	G	26.8	Very low	27.2	Very low	59 Å²	59	128.6 Å²	128.6	61%	0.608	80%	0.802	S	S	*	*			cis	128.5	78.4	3.8	0	0	0	0	0	112.3
167	I	27.4	Very low	27	Very low	163 Å²	163	124.4 Å²	124.4	84%	0.836	80%	0.795	S	S	*	*			trans	60.2	117	151.1	-45.8	169.2	0	0	0	118.1
168	T	29.2	Very low	26.9	Very low	146 Å²	146	127.9 Å²	127.9	90%	0.896	80%	0.797	S	S	*	*				-170.5	158.3	119.9	20.8	0	0	0	0	110.9
169	A	24.6	Very low	26.8	Very low	101 Å²	101	127.4 Å²	127.4	84%	0.835	79%	0.789	S	S	*	*			trans	-122.7	145.2	-173.6	0	0	0	0	0	112.4
170	A	31.2	Very low	26.8	Very low	87 Å²	87	128.4 Å²	128.4	72%	0.719	79%	0.789	S	S	*	*			trans	-164.1	104	160.5	0	0	0	0	0	107.2
171	T	24.4	Very low	26.5	Very low	122 Å²	122	121.8 Å²	121.8	75%	0.748	78%	0.778	S	S	*	*				61.4	113.1	83.4	60.9	0	0	0	0	115.9
172	C	24.1	Very low	26.4	Very low	122 Å²	122	123.4 Å²	123.4	82%	0.824	78%	0.783	S	S	*	*			trans	54.4	146.7	159.3	68.2	0	0	0	0	117.5
173	V	25.9	Very low	26.4	Very low	124 Å²	124	121.4 Å²	121.4	75%	0.752	78%	0.781	S	S	*	*			cis	-151.3	149.4	32.4	169.1	0	0	0	0	105.7
174	G	23.7	Very low	26.3	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	78%	0.779	S	S	*	*			cis	105.5	58.2	25.1	0	0	0	0	0	111.8
175	V	28	Very low	26.3	Very low	136 Å²	136	120.5 Å²	120.5	82%	0.824	78%	0.782	S	S	*	*			trans	-134	101.3	177	-170.7	0	0	0	0	112
176	T	25.3	Very low	26.2	Very low	124 Å²	124	119.7 Å²	119.7	76%	0.761	78%	0.778	S	S	*	*			trans	-75.8	147.8	153.1	48	0	0	0	0	110
177	S	26.5	Very low	26.2	Very low	118 Å²	118	121.7 Å²	121.7	83%	0.825	78%	0.783	S	S	*	*			trans	172.8	143.1	134.9	-80.3	0	0	0	0	113.9
178	N	26.3	Very low	26.2	Very low	146 Å²	146	122.2 Å²	122.2	78%	0.781	79%	0.787	S	S	*	*			trans	-51.6	157.2	164.7	-54.1	-33.9	0	0	0	113.1
179	T	26	Very low	25.9	Very low	125 Å²	125	122.5 Å²	122.5	77%	0.767	78%	0.783	S	S	*	*				173.5	143.5	107.2	32.2	0	0	0	0	115.3
180	L	25.1	Very low	26	Very low	147 Å²	147	128.9 Å²	128.9	77%	0.77	79%	0.787	S	S	*	*			trans	61.6	102.9	140.8	-64.9	164	0	0	0	121.6
181	S	25.6	Very low	25.7	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	79%	0.791	S	S	*	*				25.5	126.1	121.8	62.2	0	0	0	0	120.9
182	V	25.7	Very low	25.8	Very low	134 Å²	134	127.8 Å²	127.8	81%	0.812	79%	0.791	S	S	*	*			trans	-132.1	117	141.3	178.4	0	0	0	0	108.8	V184	V182-V184 HydrophobicContact CG1-CG2 4.41Å
183	A	24.2	Very low	25.8	Very low	95 Å²	95	130 Å²	130	79%	0.785	79%	0.794	S	S	*	*			trans	-74.5	139.3	168.5	0	0	0	0	0	109.7
184	V	28	Very low	25.9	Very low	122 Å²	122	132.1 Å²	132.1	74%	0.739	80%	0.8	S	S	*	*			trans	-122.8	90.1	167.6	-171.1	0	0	0	0	108.6	V182 S186	V182-V184 HydrophobicContact CG1-CG2 4.41Å; V184-S186 PolarHBondContact O-N 2.88Å
185	N	24	Very low	26.1	Very low	164 Å²	164	133 Å²	133	88%	0.877	80%	0.8	S	S	*	*			trans	-60.9	123.7	159.8	-99.9	-11.6	0	0	0	108.5
186	S	29.4	Very low	25.9	Very low	104 Å²	104	134.6 Å²	134.6	73%	0.727	80%	0.803	S	S	*	*			trans	-137.2	83.3	158	61.6	0	0	0	0	109.2	V184 L188	V184-S186 PolarHBondContact O-N 2.88Å; S186-L188 PolarHBondContact O-N 3.41Å
187	S	24.8	Very low	26.1	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	81%	0.805	S	S	*	*			trans	-59.9	124.5	168.7	51.8	0	0	0	0	110.7
188	L	28	Very low	26.1	Very low	174 Å²	174	134.9 Å²	134.9	91%	0.911	81%	0.807	S	S	*	*			trans	-132.1	97.5	158.4	-84.1	174.3	0	0	0	108.9	S186	S186-L188 PolarHBondContact O-N 3.41Å
189	N	23.6	Very low	26.1	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	81%	0.81	S	S	*	*			trans	-59.9	134.9	171.6	-65.6	-28.7	0	0	0	110.3
190	Y	26.1	Very low	26.1	Very low	234 Å²	234	129.7 Å²	129.7	92%	0.918	81%	0.813	S	S	*	*			trans	-144.9	107.5	141.5	-131	-86.2	0	0	0	110.1
191	S	24.1	Very low	26	Very low	115 Å²	115	128 Å²	128	80%	0.804	81%	0.814	S	S	*	*			trans	-73.6	141.3	-177.9	41.5	0	0	0	0	111.9
192	G	27.6	Very low	26.1	Very low	72 Å²	72	129.1 Å²	129.1	74%	0.742	82%	0.816	S	S	*	*			trans	-158.5	45.9	-173.5	0	0	0	0	0	115.2	I194	G192-I194 PolarHBondContact O-N 3.21Å
193	N	24.6	Very low	26.2	Very low	167 Å²	167	128.8 Å²	128.8	89%	0.893	81%	0.814	S	S	*	*			trans	-55.2	119.8	174.6	-79.2	-30.8	0	0	0	112.4
194	I	28.3	Very low	26.3	Very low	169 Å²	169	128.3 Å²	128.3	87%	0.867	82%	0.819	S	S	*	*			trans	-135.1	131.5	154.4	-59.9	-175.3	0	0	0	108.8	G192	G192-I194 PolarHBondContact O-N 3.21Å
195	A	26.3	Very low	26.4	Very low	93 Å²	93	131.1 Å²	131.1	77%	0.769	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-84	153.5	-162.1	0	0	0	0	0	115.6
196	L	23.4	Very low	27.7	Very low	169 Å²	169	126.2 Å²	126.2	89%	0.885	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.7	133.4	161.6	-80.9	148.9	0	0	0	110.5
197	P	30.3	Very low	29.3	Very low	123 Å²	123	127.6 Å²	127.6	80%	0.799	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.6	129.3	163	31.6	-30.3	0	0	0	110.2
198	S	25.6	Very low	31.7	Very low	126 Å²	126	124.4 Å²	124.4	88%	0.881	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.8	144.3	170.4	47.3	0	0	0	0	111.4
199	G	26.3	Very low	34.4	Very low	81 Å²	81	120.1 Å²	120.1	84%	0.835	77%	0.773	S	S	*	*			trans	143.2	140.3	165.2	0	0	0	0	0	115
200	G	26.9	Very low	37.4	Very low	81 Å²	81	115.3 Å²	115.3	84%	0.835	75%	0.745	S	S	*	*			trans	115.9	86.5	164.7	0	0	0	0	0	115.4
201	S	23.8	Very low	40.3	Very low	112 Å²	112	107 Å²	107	78%	0.783	72%	0.724	S	S	*	*			trans	-64.4	134.5	161.3	127	0	0	0	0	110.3
202	T	26.1	Very low	43.3	Very low	122 Å²	122	102.2 Å²	102.2	75%	0.748	69%	0.693	S	S	*	*				-178.5	134	127.7	22.7	0	0	0	0	112.2
203	T	28	Very low	46	Very low	127 Å²	127	104.9 Å²	104.9	78%	0.779	69%	0.691	S	S	*	*			trans	43.4	83.8	156.7	56.5	0	0	0	0	119.6	H205	T203-H205 PolarHBondContact O-N 2.85Å
204	G	25.9	Very low	48.8	Very low	85 Å²	85	97.3 Å²	97.3	88%	0.876	65%	0.65	S	S	*	*	S	Bend		75	1	116.1	0	0	0	0	0	120.8
205	H	31.5	Very low	50.8	Low	181 Å²	181	93.7 Å²	93.7	84%	0.838	64%	0.639	S	S	*	*			trans	-106.9	114.8	165.7	-76.4	-72.7	0	0	0	110	T203 T207	T203-H205 PolarHBondContact O-N 2.85Å; H205-T207 PolarHBondContact O-N 2.81Å
206	G	51.5	Low	52.6	Low	62 Å²	62	93.3 Å²	93.3	64%	0.639	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-57	122.2	179.4	0	0	0	0	0	111.4	A208 M224	G206-A208 PolarHBondContact O-N 3.35Å; G206-M224 WeakPolarHBondContact O-CE 3.45Å
207	T	63	Low	54.6	Low	132 Å²	132	88.2 Å²	88.2	81%	0.81	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-60.6	124.7	176.5	48.8	0	0	0	0	109.9	H205 I209	H205-T207 PolarHBondContact O-N 2.81Å; T207-I209 PolarHBondContact O-N 3.05Å
208	A	75.2	Confident	56.4	Low	35 Å²	35	89.9 Å²	89.9	29%	0.289	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-58	136.1	177.7	0	0	0	0	0	111	G206 F210 Q222 L223 M224	G206-A208 PolarHBondContact O-N 3.35Å; A208-F210 VanDerWaalsContact C-N 3.27Å; A208-F210 PolarHBondContact O-N 3.31Å; A208-Q222 HydrophobicContact CB-CB 3.87Å; A208-Q222 HydrophobicContact CB-CG 4.2Å; A208-L223 CarbonylContact C-O 3.48Å; A208-M224 HydrophobicContact CB-SD 3.9Å
209	I	84.6	Confident	59.1	Low	85 Å²	85	84.3 Å²	84.3	44%	0.436	58%	0.581	S	S	.	*	S	Bend	trans	-65.1	-37.5	176.2	-58.8	173.4	0	0	0	109.9	T207 L223 R226	T207-I209 PolarHBondContact O-N 3.05Å; I209-L223 HydrophobicContact CB-CD2 4.16Å; I209-L223 HydrophobicContact CB-CG 4.28Å; I209-L223 HydrophobicContact CD1-CG 4.5Å; I209-L223 HydrophobicContact CG2-CD2 4.08Å; I209-L223 PolarHBondContact N-O 3.45Å; I209-R226 HydrophobicContact CD1-CG 4.04Å
210	F	86.9	Confident	62.1	Low	51 Å²	51	82.7 Å²	82.7	22%	0.224	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.8	147.4	176.8	-180	-107	0	0	0	109.7	A208 F221 Q222 L223 T642 H646	A208-F210 VanDerWaalsContact C-N 3.27Å; A208-F210 PolarHBondContact O-N 3.31Å; F210-F221 HydrophobicContact CD1-CE2 4.3Å; F210-F221 AromaticContact CE1-CE2 3.85Å; F210-F221 HydrophobicContact CE1-CE2 3.85Å; F210-F221 HydrophobicContact CE1-CZ 4.38Å; F210-Q222 CarbonylContact O-C 3.58Å; F210-Q222 VanDerWaalsContact O-CA 3.29Å; F210-Q222 WeakPolarHBondContact O-CA 3.31Å; F210-L223 HydrophobicContact CB-CB 4.05Å; F210-L223 PolarHBondContact O-N 3.34Å; F210-T642 HydrophobicContact CE1-CG2 4.26Å; F210-H646 HydrophobicContact CB-CB 4.14Å; F210-H646 HydrophobicContact CD1-CB 4.08Å; F210-H646 HydrophobicContact CD2-CB 4.06Å; F210-H646 AromaticContact CD2-CD2 3.21Å; F210-H646 WeakPolarHBondContact CD2-CD2 3.36Å; F210-H646 AromaticContact CD2-CG 3.64Å; F210-H646 AromaticContact CD2-NE2 3.7Å; F210-H646 AromaticContact CE2-CD2 3.96Å; F210-H646 HydrophobicContact CG-CB 3.81Å; F210-H646 AromaticContact CG-CD2 3.64Å; F210-H646 AromaticContact CG-CG 3.9Å
211	A	86.7	Confident	65.2	Low	58 Å²	58	79.3 Å²	79.3	48%	0.479	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.9	172.9	0	0	0	0	0	110.7	F221 Q222	A211-F221 WeakPolarHBondContact CA-O 3.16Å; A211-Q222 HydrophobicContact CB-CG 4.02Å
212	G	86.6	Confident	68.4	Low	15 Å²	15	76.5 Å²	76.5	16%	0.155	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	161.1	174.3	0	0	0	0	0	111.7	N220 F221	G212-N220 CarbonylContact O-C 3.52Å; G212-N220 WeakPolarHBondContact O-CA 3.4Å; G212-N220 WeakPolarHBondContact O-CB 3.45Å; G212-F221 PolarHBondContact N-O 2.87Å; G212-F221 VanDerWaalsContact O-CD1 3.28Å; G212-F221 WeakPolarHBondContact O-CD1 3.25Å; G212-F221 PolarHBondContact O-N 2.83Å
213	N	85.5	Confident	71.6	Confident	129 Å²	129	70.7 Å²	70.7	69%	0.69	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	149.2	178.1	-65.4	-17.8	0	0	0	110.3	N220	N213-N220 VanDerWaalsContact OD1-CB 3.28Å; N213-N220 WeakPolarHBondContact OD1-CB 3.31Å
214	F	83	Confident	74.5	Confident	8 Å²	8	66.7 Å²	66.7	4%	0.035	43%	0.428	C	S	.	.			trans	-80.2	122.4	171.3	-63.8	-55.5	0	0	0	109.7	G216 H217 G219 F221 I630 L641 I679 I681	F214-G216 PolarHBondContact O-N 3.25Å; F214-H217 HydrophobicContact CB-CB 4.3Å; F214-H217 PolarHBondContact O-N 3.12Å; F214-H217 VanDerWaalsContact O-O 3.06Å; F214-G219 PolarHBondContact N-O 2.85Å; F214-F221 AromaticContact CD1-CD1 3.84Å; F214-F221 HydrophobicContact CD1-CD1 3.84Å; F214-F221 HydrophobicContact CD1-CE1 4.06Å; F214-F221 AromaticContact CE1-CD1 3.45Å; F214-F221 HydrophobicContact CE1-CD1 3.45Å; F214-F221 VanDerWaalsContact CE1-CD1 3.45Å; F214-F221 AromaticContact CE1-CE1 3.95Å; F214-F221 HydrophobicContact CE1-CE1 3.95Å; F214-F221 HydrophobicContact CE1-CG 4.24Å; F214-F221 HydrophobicContact CE2-CB 4.44Å; F214-F221 HydrophobicContact CE2-CD1 4.27Å; F214-F221 HydrophobicContact CG-CD1 4.41Å; F214-F221 HydrophobicContact CZ-CB 3.97Å; F214-F221 AromaticContact CZ-CD1 3.7Å; F214-F221 HydrophobicContact CZ-CD1 3.7Å; F214-F221 HydrophobicContact CZ-CG 4.18Å; F214-I630 HydrophobicContact CZ-CD1 4.29Å; F214-L641 HydrophobicContact CE1-CD2 3.98Å; F214-L641 HydrophobicContact CZ-CD2 3.99Å; F214-I679 HydrophobicContact CE2-CG2 3.91Å; F214-I679 HydrophobicContact CZ-CG2 4.07Å; F214-I681 HydrophobicContact CE2-CG1 4.11Å
215	S	69.4	Low	77.6	Confident	92 Å²	92	63.9 Å²	63.9	64%	0.643	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	120.3	177.7	56.7	0	0	0	0	111.2	H217	S215-H217 VanDerWaalsContact C-N 3.35Å
216	G	65.1	Low	80.4	Confident	86 Å²	86	58.7 Å²	58.7	89%	0.887	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	0.7	175.7	0	0	0	0	0	115.8	F214	F214-G216 PolarHBondContact O-N 3.25Å
217	H	64.5	Low	82.2	Confident	62 Å²	62	56.4 Å²	56.4	29%	0.287	34%	0.339	S	S	.	.	S	Bend	trans	-125.1	146.7	173.8	-70.8	-92.3	0	0	0	110.1	F214 S215 G219 I638 V684	F214-H217 HydrophobicContact CB-CB 4.3Å; F214-H217 PolarHBondContact O-N 3.12Å; F214-H217 VanDerWaalsContact O-O 3.06Å; S215-H217 VanDerWaalsContact C-N 3.35Å; H217-G219 PolarHBondContact O-N 2.86Å; H217-I638 PolarHBondContact CD2-O 3.47Å; H217-V684 WeakPolarHBondContact CE1-CG2 3.35Å
218	N	68.9	Low	83.5	Confident	157 Å²	157	52.6 Å²	52.6	84%	0.84	32%	0.321	S	S	*	.	S	Bend	trans	-74.7	53.1	174.4	-75.3	-23.6	0	0	0	111.5	G682	N218-G682 WeakPolarHBondContact O-CA 3.46Å; N218-G682 PolarHBondContact O-N 3.03Å
219	G	82.5	Confident	84	Confident	9 Å²	9	52.3 Å²	52.3	9%	0.093	32%	0.322	C	S	.	.			trans	-136.6	150	-176.5	0	0	0	0	0	112.9	F214 H217 R680	F214-G219 PolarHBondContact N-O 2.85Å; H217-G219 PolarHBondContact O-N 2.86Å; G219-R680 CarbonylContact C-O 3.54Å; G219-R680 WeakPolarHBondContact CA-O 3.44Å
220	N	89.3	Confident	84.3	Confident	47 Å²	47	49 Å²	49	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	165.1	176.8	71.2	6.4	0	0	0	111.7	G212 N213 R680	G212-N220 CarbonylContact O-C 3.52Å; G212-N220 WeakPolarHBondContact O-CA 3.4Å; G212-N220 WeakPolarHBondContact O-CB 3.45Å; N213-N220 VanDerWaalsContact OD1-CB 3.28Å; N213-N220 WeakPolarHBondContact OD1-CB 3.31Å; N220-R680 PolarHBondContact N-O 2.75Å; N220-R680 PolarHBondContact O-N 2.77Å; N220-R680 VanDerWaalsContact O-O 3.1Å; N220-R680 WeakPolarHBondContact OD1-CB 3.43Å
221	F	91.4	Very high	84.4	Confident	11 Å²	11	55 Å²	55	5%	0.048	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.9	175	62.4	-87.5	0	0	0	109.4	F210 A211 G212 F214 L641 W677 Q678 I679	F210-F221 HydrophobicContact CD1-CE2 4.3Å; F210-F221 AromaticContact CE1-CE2 3.85Å; F210-F221 HydrophobicContact CE1-CE2 3.85Å; F210-F221 HydrophobicContact CE1-CZ 4.38Å; A211-F221 WeakPolarHBondContact CA-O 3.16Å; G212-F221 PolarHBondContact N-O 2.87Å; G212-F221 VanDerWaalsContact O-CD1 3.28Å; G212-F221 WeakPolarHBondContact O-CD1 3.25Å; G212-F221 PolarHBondContact O-N 2.83Å; F214-F221 AromaticContact CD1-CD1 3.84Å; F214-F221 HydrophobicContact CD1-CD1 3.84Å; F214-F221 HydrophobicContact CD1-CE1 4.06Å; F214-F221 AromaticContact CE1-CD1 3.45Å; F214-F221 HydrophobicContact CE1-CD1 3.45Å; F214-F221 VanDerWaalsContact CE1-CD1 3.45Å; F214-F221 AromaticContact CE1-CE1 3.95Å; F214-F221 HydrophobicContact CE1-CE1 3.95Å; F214-F221 HydrophobicContact CE1-CG 4.24Å; F214-F221 HydrophobicContact CE2-CB 4.44Å; F214-F221 HydrophobicContact CE2-CD1 4.27Å; F214-F221 HydrophobicContact CG-CD1 4.41Å; F214-F221 HydrophobicContact CZ-CB 3.97Å; F214-F221 AromaticContact CZ-CD1 3.7Å; F214-F221 HydrophobicContact CZ-CD1 3.7Å; F214-F221 HydrophobicContact CZ-CG 4.18Å; F221-L641 HydrophobicContact CB-CD2 3.58Å; F221-L641 HydrophobicContact CD1-CD2 3.94Å; F221-L641 HydrophobicContact CD2-CD2 3.51Å; F221-L641 HydrophobicContact CE1-CD2 4.5Å; F221-L641 HydrophobicContact CE2-CD2 4.11Å; F221-L641 HydrophobicContact CG-CD2 3.4Å; F221-W677 HydrophobicContact CD2-CE3 4.32Å; F221-W677 HydrophobicContact CD2-CZ3 4.13Å; F221-W677 HydrophobicContact CE2-CZ3 4.49Å; F221-Q678 CarbonylContact C-O 3.52Å; F221-Q678 WeakPolarHBondContact CA-O 3.46Å; F221-I679 HydrophobicContact CB-CG1 4.21Å
222	Q	91.1	Very high	84.6	Confident	52 Å²	52	55.4 Å²	55.4	24%	0.243	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128	-180	-64.8	177.7	-42.9	0	0	108.4	A208 F210 A211 M224 W677 Q678	A208-Q222 HydrophobicContact CB-CB 3.87Å; A208-Q222 HydrophobicContact CB-CG 4.2Å; F210-Q222 CarbonylContact O-C 3.58Å; F210-Q222 VanDerWaalsContact O-CA 3.29Å; F210-Q222 WeakPolarHBondContact O-CA 3.31Å; A211-Q222 HydrophobicContact CB-CG 4.02Å; Q222-M224 HydrophobicContact CB-SD 3.67Å; Q222-W677 CarbonylContact O-C 3.51Å; Q222-W677 VanDerWaalsContact O-CA 3.23Å; Q222-W677 WeakPolarHBondContact O-CA 3.42Å; Q222-Q678 HydrophobicContact CB-CB 4.35Å; Q222-Q678 PolarHBondContact N-O 2.96Å; Q222-Q678 PolarHBondContact O-N 2.99Å
223	L	92.3	Very high	84.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.2	164.8	179.9	67.8	0	0	0	107.1	A208 I209 F210 R226 H646 L675 W677	A208-L223 CarbonylContact C-O 3.48Å; I209-L223 HydrophobicContact CB-CD2 4.16Å; I209-L223 HydrophobicContact CB-CG 4.28Å; I209-L223 HydrophobicContact CD1-CG 4.5Å; I209-L223 HydrophobicContact CG2-CD2 4.08Å; I209-L223 PolarHBondContact N-O 3.45Å; F210-L223 HydrophobicContact CB-CB 4.05Å; F210-L223 PolarHBondContact O-N 3.34Å; L223-R226 HydrophobicContact CD2-CG 4.08Å; L223-H646 WeakPolarHBondContact CD2-O 3.4Å; L223-L675 HydrophobicContact CD1-CB 3.95Å; L223-L675 HydrophobicContact CD1-CD2 4.44Å; L223-W677 HydrophobicContact CB-CE3 3.91Å; L223-W677 HydrophobicContact CB-CH2 4.35Å; L223-W677 HydrophobicContact CB-CZ3 3.76Å; L223-W677 HydrophobicContact CD1-CD2 4.01Å; L223-W677 HydrophobicContact CD1-CE3 4.1Å; L223-W677 HydrophobicContact CD1-CH2 4.08Å; L223-W677 HydrophobicContact CD1-CZ2 4Å; L223-W677 HydrophobicContact CD1-CZ3 4.14Å; L223-W677 HydrophobicContact CG-CZ3 4.48Å
224	M	90.6	Very high	85.5	Confident	44 Å²	44	48.6 Å²	48.6	22%	0.217	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-36.3	-174.7	-59.4	-56.7	-60.8	0	0	112.2	G206 A208 Q222 H663 A676 Q678	G206-M224 WeakPolarHBondContact O-CE 3.45Å; A208-M224 HydrophobicContact CB-SD 3.9Å; Q222-M224 HydrophobicContact CB-SD 3.67Å; M224-H663 WeakPolarHBondContact CB-CE1 3.26Å; M224-H663 WeakPolarHBondContact CB-ND1 3.44Å; M224-A676 PolarHBondContact N-O 3.04Å; M224-Q678 HydrophobicContact CG-CB 3.8Å; M224-Q678 HydrophobicContact SD-CB 4.1Å
225	N	89.3	Confident	86.2	Confident	26 Å²	26	52 Å²	52	14%	0.139	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	151.1	-176.6	-160.1	-8.2	0	0	0	111.3	Q261 L262 A676	N225-Q261 PolarHBondContact ND2-O 2.99Å; N225-L262 HydrophobicContact CB-CD1 3.82Å; N225-A676 HydrophobicContact CB-CB 4.23Å; N225-A676 PolarHBondContact N-O 2.82Å; N225-A676 PolarHBondContact O-N 3.24Å
226	R	91	Very high	87.6	Confident	71 Å²	71	47.7 Å²	47.7	27%	0.268	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.7	172.1	-60.7	-167.3	175.5	-106.7	26.6	108.2	I209 L223 S645 H646 G647 L675	I209-R226 HydrophobicContact CD1-CG 4.04Å; L223-R226 HydrophobicContact CD2-CG 4.08Å; R226-S645 PolarHBondContact NH2-O 3.45Å; R226-H646 PolarHBondContact NH2-O 3.44Å; R226-G647 PolarHBondContact NH1-O 2.84Å; R226-L675 HydrophobicContact CB-CD2 4.08Å; R226-L675 HydrophobicContact CG-CD2 3.76Å
227	V	89.4	Confident	89.1	Confident	14 Å²	14	43.7 Å²	43.7	9%	0.085	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.2	-177.7	-175	0	0	0	0	109.2	W256 L262 L674	V227-W256 HydrophobicContact CG1-CE3 3.79Å; V227-W256 HydrophobicContact CG1-CH2 3.55Å; V227-W256 HydrophobicContact CG1-CZ2 4.31Å; V227-W256 HydrophobicContact CG1-CZ3 3.24Å; V227-L262 HydrophobicContact CG2-CB 3.64Å; V227-L262 HydrophobicContact CG2-CD1 3.64Å; V227-L262 HydrophobicContact CG2-CG 4.3Å; V227-L674 HydrophobicContact CB-CB 4.25Å; V227-L674 PolarHBondContact N-O 2.74Å; V227-L674 PolarHBondContact O-N 2.84Å
228	A	89.6	Confident	90.6	Very high	53 Å²	53	41.7 Å²	41.7	44%	0.438	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.9	166.4	0	0	0	0	0	108.6	L673	A228-L673 HydrophobicContact CB-CD2 3.82Å
229	G	85.9	Confident	91.7	Very high	29 Å²	29	35.5 Å²	35.5	30%	0.299	18%	0.181	S	C	.	.			trans	-178.6	-32.4	176.7	0	0	0	0	0	113.7	R254	G229-R254 PolarHBondContact O-NH1 2.92Å; G229-R254 PolarHBondContact O-NH2 3.23Å
230	H	91.5	Very high	91.9	Very high	15 Å²	15	35.1 Å²	35.1	7%	0.069	18%	0.177	C	C	.	.			trans	-70.9	145.9	164.7	-75.8	-74.4	0	0	0	110.9	I234 T246 S248 D250 T252 R254	H230-I234 HydrophobicContact CB-CG1 4.15Å; H230-T246 PolarHBondContact CD2-OG1 3.49Å; H230-T246 PolarHBondContact NE2-OG1 2.77Å; H230-S248 VanDerWaalsContact CE1-CB 3.43Å; H230-S248 WeakPolarHBondContact CE1-CB 3.22Å; H230-S248 WeakPolarHBondContact ND1-CB 3.24Å; H230-D250 WeakPolarHBondContact CA-OD2 3.14Å; H230-D250 WeakPolarHBondContact CB-OD2 3.44Å; H230-D250 IonicContact CE1-OD1 2.7Å; H230-D250 IonicContact CG-OD2 3.78Å; H230-D250 IonicContact ND1-OD1 3.63Å; H230-D250 PolarHBondContact ND1-OD1 2.79Å; H230-D250 IonicContact ND1-OD2 3.17Å; H230-D250 PolarHBondContact ND1-OD2 3.48Å; H230-T252 PolarHBondContact CE1-O 3.22Å; H230-T252 PolarHBondContact CE1-OG1 2.93Å; H230-T252 PolarHBondContact ND1-OG1 3.48Å; H230-T252 VanDerWaalsContact ND1-OG1 3.13Å; H230-R254 VanDerWaalsContact CE1-CG 3.49Å; H230-R254 WeakPolarHBondContact CE1-CG 3.47Å
231	R	89.1	Confident	91.7	Very high	176 Å²	176	37.8 Å²	37.8	66%	0.664	18%	0.184	S	C	*	.	S	Bend	trans	-85.4	-16.1	179.3	-64	-172.1	-66	-169.1	-0.2	113.5	D250 L371	R231-D250 HydrophobicContact CB-CB 4.06Å; R231-D250 PolarHBondContact N-OD2 3.17Å; R231-L371 HydrophobicContact CG-CD1 4.17Å
232	D	91.1	Very high	91.6	Very high	67 Å²	67	40.9 Å²	40.9	36%	0.358	20%	0.195	S	C	.	.	S	Bend	trans	-141.3	175.9	177.9	-161.4	-1.4	0	0	0	109.8	S248 A249 D250	D232-S248 PolarHBondContact O-OG 3.01Å; D232-A249 HydrophobicContact CB-CB 3.93Å; D232-A249 WeakPolarHBondContact OD2-CB 3.23Å; D232-D250 HydrophobicContact CB-CB 4.2Å
233	G	93.5	Very high	91.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.			trans	-53.4	139.6	-174.7	0	0	0	0	0	114.1	S248 A249 F670	G233-S248 WeakPolarHBondContact O-CA 3.23Å; G233-S248 PolarHBondContact O-OG 2.89Å; G233-A249 PolarHBondContact O-N 2.88Å; G233-F670 WeakPolarHBondContact CA-O 3.19Å
234	I	97.9	Very high	91.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.9	176.3	-56.8	176.6	0	0	0	107.6	H230 E236 T246 A247 T653 G669 L674	H230-I234 HydrophobicContact CB-CG1 4.15Å; I234-E236 WeakPolarHBondContact CG2-O 3.48Å; I234-T246 HydrophobicContact CD1-CG2 4.29Å; I234-T246 HydrophobicContact CG2-CG2 4.1Å; I234-A247 CarbonylContact C-O 3.41Å; I234-A247 WeakPolarHBondContact CA-O 3.35Å; I234-A247 WeakPolarHBondContact CG2-O 3.5Å; I234-T653 VanDerWaalsContact O-CB 3.23Å; I234-T653 WeakPolarHBondContact O-CB 3.47Å; I234-T653 VanDerWaalsContact O-CG2 3.27Å; I234-T653 WeakPolarHBondContact O-CG2 3.33Å; I234-T653 PolarHBondContact O-OG1 3.35Å; I234-G669 PolarHBondContact N-O 3Å; I234-L674 HydrophobicContact CD1-CB 4.26Å
235	W	97.6	Very high	91.9	Very high	80 Å²	80	36.3 Å²	36.3	30%	0.303	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-35.7	179.2	-67.1	117.6	0	0	0	113.7	A247 A249 S274 T653 F670	W235-A247 PolarHBondContact N-O 3.37Å; W235-A249 HydrophobicContact CZ2-CB 4.47Å; W235-S274 PolarHBondContact NE1-OG 3Å; W235-T653 HydrophobicContact CE3-CG2 4.34Å; W235-F670 HydrophobicContact CE3-CD2 4.49Å; W235-F670 AromaticContact CH2-CD2 3.95Å; W235-F670 HydrophobicContact CH2-CD2 3.95Å; W235-F670 AromaticContact CH2-CE2 3.44Å; W235-F670 HydrophobicContact CH2-CE2 3.44Å; W235-F670 VanDerWaalsContact CH2-CE2 3.44Å; W235-F670 HydrophobicContact CH2-CZ 4.07Å; W235-F670 HydrophobicContact CZ2-CD2 4.26Å; W235-F670 AromaticContact CZ2-CE2 3.49Å; W235-F670 HydrophobicContact CZ2-CE2 3.49Å; W235-F670 VanDerWaalsContact CZ2-CE2 3.49Å; W235-F670 HydrophobicContact CZ2-CZ 4.2Å; W235-F670 HydrophobicContact CZ3-CD2 4.07Å; W235-F670 HydrophobicContact CZ3-CE2 4.04Å
236	E	97.8	Very high	92.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.1	-177.6	-175.9	154.6	-125.3	0	0	111.8	I234 T246 A247 S277 V278 R279 R474 R560	I234-E236 WeakPolarHBondContact CG2-O 3.48Å; E236-T246 VanDerWaalsContact O-CA 3.32Å; E236-T246 WeakPolarHBondContact O-CA 3.38Å; E236-A247 PolarHBondContact N-O 3.21Å; E236-A247 PolarHBondContact O-N 2.9Å; E236-S277 WeakPolarHBondContact OE2-CA 3.25Å; E236-S277 VanDerWaalsContact OE2-CB 3.25Å; E236-S277 WeakPolarHBondContact OE2-CB 3.41Å; E236-S277 PolarHBondContact OE2-OG 2.77Å; E236-V278 PolarHBondContact OE2-N 3.03Å; E236-R279 VanDerWaalsContact CD-NH2 3.33Å; E236-R279 IonicContact OE1-CZ 3.35Å; E236-R279 VanDerWaalsContact OE1-CZ 3.23Å; E236-R279 IonicContact OE1-NH1 2.7Å; E236-R279 PolarHBondContact OE1-NH1 3Å; E236-R279 IonicContact OE1-NH2 3.63Å; E236-R279 PolarHBondContact OE1-NH2 3.02Å; E236-R279 IonicContact OE2-CZ 3.8Å; E236-R279 IonicContact OE2-NH1 3.88Å; E236-R279 PolarHBondContact OE2-NH1 2.8Å; E236-R279 IonicContact OE2-NH2 2.72Å; E236-R279 PolarHBondContact OE2-NH2 2.87Å; E236-R279 VanDerWaalsContact OE2-NH2 3.13Å; E236-R474 IonicContact OE1-CZ 2.77Å; E236-R474 IonicContact OE1-NH2 3.23Å; E236-R474 PolarHBondContact OE1-NH2 3.07Å; E236-R560 WeakPolarHBondContact OE1-CD 3.17Å; E236-R560 IonicContact OE1-NE 3.81Å
237	V	97.2	Very high	92.6	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.8	165.9	57.2	0	0	0	0	108.8	I244 A245 T246 C654 A656 F666 L674	V237-I244 HydrophobicContact CG2-CG2 3.51Å; V237-A245 CarbonylContact C-O 3.57Å; V237-A245 VanDerWaalsContact CA-O 3.31Å; V237-A245 WeakPolarHBondContact CA-O 3.49Å; V237-T246 HydrophobicContact CB-CG2 4.24Å; V237-T246 HydrophobicContact CG2-CG2 4.13Å; V237-C654 HydrophobicContact CG1-CB 4.21Å; V237-A656 HydrophobicContact CG1-CB 4.04Å; V237-A656 HydrophobicContact CG2-CB 4.23Å; V237-F666 HydrophobicContact CG2-CB 4.12Å; V237-L674 HydrophobicContact CB-CD1 4.43Å; V237-L674 HydrophobicContact CG2-CD1 3.83Å
238	T	95.1	Very high	93	Very high	19 Å²	19	31 Å²	31	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.4	177.5	-61.8	0	0	0	0	109.4	I244 A245 V278 R279 F280	T238-I244 CarbonylContact O-C 3.3Å; T238-I244 WeakPolarHBondContact O-CA 3.42Å; T238-A245 PolarHBondContact N-O 3.29Å; T238-A245 PolarHBondContact O-N 2.78Å; T238-V278 WeakPolarHBondContact CB-O 3.27Å; T238-V278 PolarHBondContact OG1-O 3.04Å; T238-R279 PolarHBondContact OG1-NH1 2.98Å; T238-F280 HydrophobicContact CG2-CD2 3.85Å; T238-F280 HydrophobicContact CG2-CE2 4.24Å
239	S	91.7	Very high	93.3	Very high	27 Å²	27	29.4 Å²	29.4	19%	0.189	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.5	174.2	64.4	0	0	0	0	111.6	W657	S239-W657 WeakPolarHBondContact CB-O 3.32Å; S239-W657 PolarHBondContact OG-O 3.02Å
240	F	88	Confident	93.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	116.7	171.3	176.7	-101.5	0	0	0	110.8	R242 F243 F280 F303 S568	F240-R242 PolarHBondContact O-N 2.77Å; F240-F243 PolarHBondContact N-O 2.99Å; F240-F243 WeakPolarHBondContact O-CA 3.5Å; F240-F243 WeakPolarHBondContact O-CB 3.45Å; F240-F243 PolarHBondContact O-N 2.68Å; F240-F280 HydrophobicContact CB-CB 3.87Å; F240-F280 HydrophobicContact CB-CD1 4.19Å; F240-F280 HydrophobicContact CB-CD2 3.26Å; F240-F280 HydrophobicContact CB-CE1 4.49Å; F240-F280 HydrophobicContact CB-CE2 3.62Å; F240-F280 HydrophobicContact CB-CG 3.53Å; F240-F280 HydrophobicContact CB-CZ 4.2Å; F240-F280 HydrophobicContact CD1-CG 4.49Å; F240-F280 HydrophobicContact CD2-CB 3.98Å; F240-F280 HydrophobicContact CG-CB 3.87Å; F240-F280 HydrophobicContact CG-CD1 4.42Å; F240-F280 HydrophobicContact CG-CD2 4.17Å; F240-F280 AromaticContact CG-CG 3.93Å; F240-F280 HydrophobicContact CG-CG 3.93Å; F240-F303 HydrophobicContact CD1-CD2 4.17Å; F240-F303 HydrophobicContact CD1-CE1 4.07Å; F240-F303 AromaticContact CD1-CE2 3.47Å; F240-F303 HydrophobicContact CD1-CE2 3.47Å; F240-F303 VanDerWaalsContact CD1-CE2 3.47Å; F240-F303 AromaticContact CD1-CZ 3.4Å; F240-F303 HydrophobicContact CD1-CZ 3.4Å; F240-F303 VanDerWaalsContact CD1-CZ 3.4Å; F240-F303 AromaticContact CE1-CD2 3.58Å; F240-F303 HydrophobicContact CE1-CD2 3.58Å; F240-F303 HydrophobicContact CE1-CE1 4.42Å; F240-F303 AromaticContact CE1-CE2 3.21Å; F240-F303 HydrophobicContact CE1-CE2 3.21Å; F240-F303 HydrophobicContact CE1-CG 4.36Å; F240-F303 AromaticContact CE1-CZ 3.69Å; F240-F303 HydrophobicContact CE1-CZ 3.69Å; F240-F303 HydrophobicContact CG-CZ 4.44Å; F240-F303 HydrophobicContact CZ-CE2 4.2Å; F240-S568 VanDerWaalsContact CD2-OG 3.31Å; F240-S568 WeakPolarHBondContact CD2-OG 3.46Å; F240-S568 WeakPolarHBondContact CE2-O 3.43Å
241	R	85.3	Confident	93.7	Very high	102 Å²	102	31 Å²	31	39%	0.385	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-131	-169.5	-58.8	-179.5	-174.7	178.7	3.9	109.3	F243 E660	R241-F243 VanDerWaalsContact C-N 3.29Å; R241-F243 PolarHBondContact O-N 2.8Å; R241-E660 WeakPolarHBondContact CA-OE2 3.21Å; R241-E660 WeakPolarHBondContact CB-OE2 3.44Å
242	R	88.4	Confident	94	Very high	76 Å²	76	23 Å²	23	29%	0.287	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	6.2	172.4	-64.2	-178.7	61.9	-161.4	-3.9	115.1	F240 I257 N258 E660	F240-R242 PolarHBondContact O-N 2.77Å; R242-I257 HydrophobicContact CB-CD1 4.06Å; R242-N258 VanDerWaalsContact O-CB 3.25Å; R242-N258 WeakPolarHBondContact O-CB 3.43Å; R242-N258 PolarHBondContact O-N 3.41Å; R242-E660 HydrophobicContact CG-CB 3.98Å; R242-E660 PolarHBondContact N-OE2 2.8Å
243	F	91.1	Very high	94.3	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.8	-179.9	-58.3	-80.1	0	0	0	112.1	F240 R241 L255 W256 I257 L265 F303 M306 T307	F240-F243 PolarHBondContact N-O 2.99Å; F240-F243 WeakPolarHBondContact O-CA 3.5Å; F240-F243 WeakPolarHBondContact O-CB 3.45Å; F240-F243 PolarHBondContact O-N 2.68Å; R241-F243 VanDerWaalsContact C-N 3.29Å; R241-F243 PolarHBondContact O-N 2.8Å; F243-L255 HydrophobicContact CB-CD1 3.99Å; F243-L255 HydrophobicContact CD1-CD2 4.33Å; F243-L255 HydrophobicContact CD1-CG 4.34Å; F243-W256 WeakPolarHBondContact CA-O 3.32Å; F243-I257 HydrophobicContact CD1-CD1 4.2Å; F243-I257 HydrophobicContact CE1-CD1 3.87Å; F243-I257 HydrophobicContact CZ-CD1 4.35Å; F243-L265 HydrophobicContact CD1-CD1 4.17Å; F243-L265 HydrophobicContact CE1-CD1 3.69Å; F243-F303 HydrophobicContact CB-CE1 4.35Å; F243-F303 AromaticContact CD2-CD1 3.45Å; F243-F303 HydrophobicContact CD2-CD1 3.45Å; F243-F303 VanDerWaalsContact CD2-CD1 3.45Å; F243-F303 AromaticContact CD2-CE1 3.52Å; F243-F303 HydrophobicContact CD2-CE1 3.52Å; F243-F303 HydrophobicContact CD2-CG 4.4Å; F243-F303 HydrophobicContact CE1-CD1 4.48Å; F243-F303 HydrophobicContact CE2-CB 4.26Å; F243-F303 AromaticContact CE2-CD1 3.31Å; F243-F303 HydrophobicContact CE2-CD1 3.31Å; F243-F303 AromaticContact CE2-CE1 3.91Å; F243-F303 HydrophobicContact CE2-CE1 3.91Å; F243-F303 HydrophobicContact CE2-CG 4.07Å; F243-F303 HydrophobicContact CG-CD1 4.12Å; F243-F303 AromaticContact CG-CE1 3.88Å; F243-F303 HydrophobicContact CG-CE1 3.88Å; F243-F303 AromaticContact CZ-CD1 3.87Å; F243-F303 HydrophobicContact CZ-CD1 3.87Å; F243-M306 HydrophobicContact CE1-CB 3.87Å; F243-M306 HydrophobicContact CZ-CB 3.79Å; F243-T307 WeakPolarHBondContact CZ-OG1 3.36Å
244	I	94.1	Very high	94.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.1	172.4	-51.8	-63	0	0	0	106.8	V237 T238 W256 N258 A658 F666 L674	V237-I244 HydrophobicContact CG2-CG2 3.51Å; T238-I244 CarbonylContact O-C 3.3Å; T238-I244 WeakPolarHBondContact O-CA 3.42Å; I244-W256 HydrophobicContact CB-CB 4.36Å; I244-W256 PolarHBondContact N-O 3.12Å; I244-W256 PolarHBondContact O-N 2.86Å; I244-N258 HydrophobicContact CG1-CB 4.3Å; I244-A658 HydrophobicContact CD1-CB 4.24Å; I244-F666 HydrophobicContact CD1-CD2 3.64Å; I244-F666 HydrophobicContact CD1-CE1 4.33Å; I244-F666 HydrophobicContact CD1-CE2 3.35Å; I244-F666 HydrophobicContact CD1-CG 4.26Å; I244-F666 HydrophobicContact CD1-CZ 3.72Å; I244-F666 HydrophobicContact CG1-CD1 4.43Å; I244-F666 HydrophobicContact CG1-CD2 4.31Å; I244-F666 HydrophobicContact CG1-CE1 3.97Å; I244-F666 HydrophobicContact CG1-CE2 3.88Å; I244-F666 HydrophobicContact CG1-CZ 3.67Å; I244-F666 HydrophobicContact CG2-CD1 4.46Å; I244-L674 HydrophobicContact CG2-CD2 4.27Å
245	A	95.4	Very high	94.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.9	168.5	0	0	0	0	0	111.1	V237 T238 R254 L255 V278 F280 M287	V237-A245 CarbonylContact C-O 3.57Å; V237-A245 VanDerWaalsContact CA-O 3.31Å; V237-A245 WeakPolarHBondContact CA-O 3.49Å; T238-A245 PolarHBondContact N-O 3.29Å; T238-A245 PolarHBondContact O-N 2.78Å; A245-R254 CarbonylContact C-O 3.51Å; A245-R254 VanDerWaalsContact CA-O 3.22Å; A245-R254 WeakPolarHBondContact CA-O 3.28Å; A245-L255 HydrophobicContact CB-CD1 4.31Å; A245-V278 HydrophobicContact CB-CB 4.44Å; A245-V278 HydrophobicContact CB-CG1 3.84Å; A245-V278 HydrophobicContact CB-CG2 3.72Å; A245-F280 HydrophobicContact CB-CE1 4.36Å; A245-F280 HydrophobicContact CB-CE2 3.64Å; A245-F280 HydrophobicContact CB-CZ 3.4Å; A245-F280 VanDerWaalsContact CB-CZ 3.4Å; A245-M287 HydrophobicContact CB-SD 4.31Å
246	T	97.6	Very high	93.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.7	172	51.3	0	0	0	0	110.6	H230 I234 E236 V237 A253 R254 W256 L674	H230-T246 PolarHBondContact CD2-OG1 3.49Å; H230-T246 PolarHBondContact NE2-OG1 2.77Å; I234-T246 HydrophobicContact CD1-CG2 4.29Å; I234-T246 HydrophobicContact CG2-CG2 4.1Å; E236-T246 VanDerWaalsContact O-CA 3.32Å; E236-T246 WeakPolarHBondContact O-CA 3.38Å; V237-T246 HydrophobicContact CB-CG2 4.24Å; V237-T246 HydrophobicContact CG2-CG2 4.13Å; T246-A253 CarbonylContact O-C 3.54Å; T246-A253 WeakPolarHBondContact O-CA 3.21Å; T246-R254 PolarHBondContact N-O 3.42Å; T246-R254 PolarHBondContact O-N 3Å; T246-W256 PolarHBondContact OG1-NE1 2.98Å; T246-L674 HydrophobicContact CG2-CD1 4.07Å; T246-L674 HydrophobicContact CG2-CD2 4.02Å; T246-L674 HydrophobicContact CG2-CG 4.44Å
247	A	97.7	Very high	93.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.8	176.6	0	0	0	0	0	109.6	I234 W235 E236 V275 V278	I234-A247 CarbonylContact C-O 3.41Å; I234-A247 WeakPolarHBondContact CA-O 3.35Å; I234-A247 WeakPolarHBondContact CG2-O 3.5Å; W235-A247 PolarHBondContact N-O 3.37Å; E236-A247 PolarHBondContact N-O 3.21Å; E236-A247 PolarHBondContact O-N 2.9Å; A247-V275 CarbonylContact C-O 3.57Å; A247-V275 VanDerWaalsContact C-O 3.3Å; A247-V275 HydrophobicContact CB-CB 4.14Å; A247-V275 HydrophobicContact CB-CG1 3.87Å; A247-V275 WeakPolarHBondContact CB-O 3.14Å; A247-V278 HydrophobicContact CB-CB 4.1Å; A247-V278 HydrophobicContact CB-CG1 3.93Å
248	S	98	Very high	93.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158	-168.4	173.5	0	0	0	0	114.1	H230 D232 G233 D250 T252 V275	H230-S248 VanDerWaalsContact CE1-CB 3.43Å; H230-S248 WeakPolarHBondContact CE1-CB 3.22Å; H230-S248 WeakPolarHBondContact ND1-CB 3.24Å; D232-S248 PolarHBondContact O-OG 3.01Å; G233-S248 WeakPolarHBondContact O-CA 3.23Å; G233-S248 PolarHBondContact O-OG 2.89Å; S248-D250 WeakPolarHBondContact CB-OD1 3.3Å; S248-D250 PolarHBondContact O-N 2.83Å; S248-D250 PolarHBondContact OG-N 2.88Å; S248-D250 VanDerWaalsContact OG-N 3.08Å; S248-D250 PolarHBondContact OG-OD1 2.7Å; S248-T252 PolarHBondContact N-O 2.98Å; S248-T252 VanDerWaalsContact N-O 3.12Å; S248-V275 PolarHBondContact N-O 3.07Å; S248-V275 PolarHBondContact O-N 2.74Å
249	A	96.1	Very high	92.8	Very high	19 Å²	19	17 Å²	17	16%	0.157	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.3	166.7	0	0	0	0	0	113.9	D232 G233 W235 N251 S274	D232-A249 HydrophobicContact CB-CB 3.93Å; D232-A249 WeakPolarHBondContact OD2-CB 3.23Å; G233-A249 PolarHBondContact O-N 2.88Å; W235-A249 HydrophobicContact CZ2-CB 4.47Å; A249-N251 PolarHBondContact O-N 2.88Å; A249-N251 PolarHBondContact O-OD1 2.75Å; A249-S274 WeakPolarHBondContact CA-OG 3.42Å
250	D	92.1	Very high	92.4	Very high	16 Å²	16	19.1 Å²	19.1	9%	0.086	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	17.5	177.6	77.7	-3	0	0	0	115.4	H230 R231 D232 S248 T252	H230-D250 WeakPolarHBondContact CA-OD2 3.14Å; H230-D250 WeakPolarHBondContact CB-OD2 3.44Å; H230-D250 IonicContact CE1-OD1 2.7Å; H230-D250 IonicContact CG-OD2 3.78Å; H230-D250 IonicContact ND1-OD1 3.63Å; H230-D250 PolarHBondContact ND1-OD1 2.79Å; H230-D250 IonicContact ND1-OD2 3.17Å; H230-D250 PolarHBondContact ND1-OD2 3.48Å; R231-D250 HydrophobicContact CB-CB 4.06Å; R231-D250 PolarHBondContact N-OD2 3.17Å; D232-D250 HydrophobicContact CB-CB 4.2Å; S248-D250 WeakPolarHBondContact CB-OD1 3.3Å; S248-D250 PolarHBondContact O-N 2.83Å; S248-D250 PolarHBondContact OG-N 2.88Å; S248-D250 VanDerWaalsContact OG-N 3.08Å; S248-D250 PolarHBondContact OG-OD1 2.7Å; D250-T252 PolarHBondContact O-N 2.83Å; D250-T252 WeakPolarHBondContact OD1-CB 3.29Å; D250-T252 PolarHBondContact OD1-N 2.85Å; D250-T252 PolarHBondContact OD1-OG1 3.31Å; D250-T252 PolarHBondContact OD2-OG1 2.81Å
251	N	93.8	Very high	92.1	Very high	61 Å²	61	22.5 Å²	22.5	33%	0.326	11%	0.11	S	C	.	.	S	Bend	trans	61.8	11.2	-174	-56.5	-5	0	0	0	115.3	A249 S272 G273 S274	A249-N251 PolarHBondContact O-N 2.88Å; A249-N251 PolarHBondContact O-OD1 2.75Å; N251-S272 PolarHBondContact ND2-O 2.8Å; N251-G273 WeakPolarHBondContact CA-O 2.98Å; N251-G273 VanDerWaalsContact CG-C 3.49Å; N251-G273 WeakPolarHBondContact OD1-CA 3.22Å; N251-G273 PolarHBondContact OD1-O 3.5Å; N251-S274 PolarHBondContact OD1-N 2.85Å; N251-S274 VanDerWaalsContact OD1-N 3.13Å
252	T	95.3	Very high	92.2	Very high	7 Å²	7	17.8 Å²	17.8	4%	0.043	9%	0.093	C	C	.	.			trans	-113	150.7	178.3	75.9	0	0	0	0	114.1	H230 S248 D250 V267 Y268 M269	H230-T252 PolarHBondContact CE1-O 3.22Å; H230-T252 PolarHBondContact CE1-OG1 2.93Å; H230-T252 PolarHBondContact ND1-OG1 3.48Å; H230-T252 VanDerWaalsContact ND1-OG1 3.13Å; S248-T252 PolarHBondContact N-O 2.98Å; S248-T252 VanDerWaalsContact N-O 3.12Å; D250-T252 PolarHBondContact O-N 2.83Å; D250-T252 WeakPolarHBondContact OD1-CB 3.29Å; D250-T252 PolarHBondContact OD1-N 2.85Å; D250-T252 PolarHBondContact OD1-OG1 3.31Å; D250-T252 PolarHBondContact OD2-OG1 2.81Å; T252-V267 HydrophobicContact CG2-CG1 3.98Å; T252-Y268 WeakPolarHBondContact CA-O 3.49Å; T252-Y268 VanDerWaalsContact CB-O 3.31Å; T252-Y268 WeakPolarHBondContact CB-O 3.44Å; T252-M269 HydrophobicContact CG2-CG 3.96Å
253	A	95.9	Very high	92	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142	157.1	0	0	0	0	0	109.1	T246 Y268 V275 T289	T246-A253 CarbonylContact O-C 3.54Å; T246-A253 WeakPolarHBondContact O-CA 3.21Å; A253-Y268 PolarHBondContact N-O 2.64Å; A253-Y268 VanDerWaalsContact N-O 3.12Å; A253-Y268 WeakPolarHBondContact O-CB 3.12Å; A253-Y268 PolarHBondContact O-N 2.92Å; A253-V275 HydrophobicContact CB-CG1 4.38Å; A253-T289 HydrophobicContact CB-CG2 3.68Å
254	R	94.7	Very high	92	Very high	31 Å²	31	16.4 Å²	16.4	12%	0.117	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.7	-177.9	-65.8	-176.6	-176.8	-137.9	4.8	111.4	G229 H230 A245 T246 W256 L266 V267	G229-R254 PolarHBondContact O-NH1 2.92Å; G229-R254 PolarHBondContact O-NH2 3.23Å; H230-R254 VanDerWaalsContact CE1-CG 3.49Å; H230-R254 WeakPolarHBondContact CE1-CG 3.47Å; A245-R254 CarbonylContact C-O 3.51Å; A245-R254 VanDerWaalsContact CA-O 3.22Å; A245-R254 WeakPolarHBondContact CA-O 3.28Å; T246-R254 PolarHBondContact N-O 3.42Å; T246-R254 PolarHBondContact O-N 3Å; R254-W256 HydrophobicContact CB-CZ2 3.87Å; R254-W256 HydrophobicContact CG-CZ2 4.44Å; R254-L266 WeakPolarHBondContact CA-O 3.22Å; R254-V267 HydrophobicContact CG-CB 4.43Å; R254-V267 HydrophobicContact CG-CG1 4.14Å; R254-V267 HydrophobicContact CG-CG2 4.08Å
255	L	93.5	Very high	91.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.3	176.5	-168	70.3	0	0	0	109.7	F243 A245 L265 L266 F280 L301 M306	F243-L255 HydrophobicContact CB-CD1 3.99Å; F243-L255 HydrophobicContact CD1-CD2 4.33Å; F243-L255 HydrophobicContact CD1-CG 4.34Å; A245-L255 HydrophobicContact CB-CD1 4.31Å; L255-L265 PolarHBondContact O-N 2.6Å; L255-L266 HydrophobicContact CB-CB 4.05Å; L255-L266 HydrophobicContact CB-CD2 4.44Å; L255-L266 PolarHBondContact N-O 2.88Å; L255-L266 PolarHBondContact O-N 3.45Å; L255-F280 HydrophobicContact CD1-CE1 3.83Å; L255-F280 HydrophobicContact CD1-CZ 3.56Å; L255-L301 HydrophobicContact CD2-CD1 4.09Å; L255-M306 HydrophobicContact CD2-CE 4.14Å; L255-M306 HydrophobicContact CD2-SD 3.64Å
256	W	92.4	Very high	91.4	Very high	10 Å²	10	16.6 Å²	16.6	4%	0.038	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.9	-178.1	-42.1	84.7	0	0	0	109.6	V227 F243 I244 T246 R254 N263 C264 L674	V227-W256 HydrophobicContact CG1-CE3 3.79Å; V227-W256 HydrophobicContact CG1-CH2 3.55Å; V227-W256 HydrophobicContact CG1-CZ2 4.31Å; V227-W256 HydrophobicContact CG1-CZ3 3.24Å; F243-W256 WeakPolarHBondContact CA-O 3.32Å; I244-W256 HydrophobicContact CB-CB 4.36Å; I244-W256 PolarHBondContact N-O 3.12Å; I244-W256 PolarHBondContact O-N 2.86Å; T246-W256 PolarHBondContact OG1-NE1 2.98Å; R254-W256 HydrophobicContact CB-CZ2 3.87Å; R254-W256 HydrophobicContact CG-CZ2 4.44Å; W256-N263 WeakPolarHBondContact CA-O 3.36Å; W256-C264 HydrophobicContact CD2-CB 4.36Å; W256-C264 HydrophobicContact CE3-CB 3.56Å; W256-C264 HydrophobicContact CH2-CB 4.22Å; W256-C264 HydrophobicContact CZ3-CB 3.48Å; W256-C264 VanDerWaalsContact CZ3-CB 3.48Å; W256-L674 HydrophobicContact CD2-CD2 4.44Å; W256-L674 HydrophobicContact CG-CD2 4.26Å
257	I	90.3	Very high	91.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.1	168.4	-179.1	84.1	0	0	0	109.7	R242 F243 D259 L262 N263 L265 A310	R242-I257 HydrophobicContact CB-CD1 4.06Å; F243-I257 HydrophobicContact CD1-CD1 4.2Å; F243-I257 HydrophobicContact CE1-CD1 3.87Å; F243-I257 HydrophobicContact CZ-CD1 4.35Å; I257-D259 HydrophobicContact CG1-CB 4.21Å; I257-D259 HydrophobicContact CG2-CB 4.44Å; I257-D259 VanDerWaalsContact CG2-OD2 3.22Å; I257-D259 WeakPolarHBondContact CG2-OD2 3.27Å; I257-D259 PolarHBondContact O-N 3.04Å; I257-L262 WeakPolarHBondContact O-CA 3.44Å; I257-N263 HydrophobicContact CG2-CB 3.83Å; I257-N263 PolarHBondContact N-O 3.06Å; I257-L265 HydrophobicContact CB-CD1 4.07Å; I257-L265 HydrophobicContact CB-CG 4.35Å; I257-L265 HydrophobicContact CG2-CD1 4.44Å; I257-L265 HydrophobicContact CG2-CD2 4.16Å; I257-L265 HydrophobicContact CG2-CG 4.25Å; I257-A310 HydrophobicContact CB-CB 4.07Å; I257-A310 HydrophobicContact CD1-CB 3.68Å; I257-A310 HydrophobicContact CG1-CB 3.71Å; I257-A310 HydrophobicContact CG2-CB 4.16Å
258	N	90.9	Very high	90.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.			trans	-74.9	60.9	171.9	-167.9	6.3	0	0	0	111.4	R242 I244 E660 G661 V662 H663 F666	R242-N258 VanDerWaalsContact O-CB 3.25Å; R242-N258 WeakPolarHBondContact O-CB 3.43Å; R242-N258 PolarHBondContact O-N 3.41Å; I244-N258 HydrophobicContact CG1-CB 4.3Å; N258-E660 PolarHBondContact ND2-O 3.48Å; N258-G661 WeakPolarHBondContact ND2-CA 3.41Å; N258-G661 WeakPolarHBondContact O-CA 3.5Å; N258-V662 PolarHBondContact O-N 2.92Å; N258-V662 VanDerWaalsContact O-N 3.12Å; N258-V662 PolarHBondContact OD1-N 3.16Å; N258-H663 PolarHBondContact ND2-O 3.05Å; N258-H663 PolarHBondContact OD1-N 2.92Å; N258-F666 HydrophobicContact CB-CZ 4.48Å
259	D	86.5	Confident	90.4	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	11%	0.107	C	C	.	.	S	Bend	trans	-99	-171.3	166	71	24	0	0	0	110.7	I257 Q261 L262 N263 T314	I257-D259 HydrophobicContact CG1-CB 4.21Å; I257-D259 HydrophobicContact CG2-CB 4.44Å; I257-D259 VanDerWaalsContact CG2-OD2 3.22Å; I257-D259 WeakPolarHBondContact CG2-OD2 3.27Å; I257-D259 PolarHBondContact O-N 3.04Å; D259-Q261 VanDerWaalsContact C-N 3.3Å; D259-Q261 PolarHBondContact O-N 2.77Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.37Å; D259-Q261 PolarHBondContact OD1-N 3.28Å; D259-L262 PolarHBondContact OD1-N 2.69Å; D259-N263 PolarHBondContact OD2-ND2 3.01Å; D259-T314 HydrophobicContact CB-CG2 3.87Å; D259-T314 WeakPolarHBondContact OD2-CG2 3.46Å
260	S	83.9	Confident	89.9	Confident	72 Å²	72	19.5 Å²	19.5	50%	0.503	11%	0.11	S	C	.	.	S	Bend	trans	-73.9	-15.8	-178.2	63.8	0	0	0	0	114.7
261	Q	80.2	Confident	89.8	Confident	73 Å²	73	19.3 Å²	19.3	34%	0.341	11%	0.109	S	C	.	.	S	Bend	trans	-104	-20	179.4	-56.2	-46.1	-69.3	0	0	112.6	N225 D259	N225-Q261 PolarHBondContact ND2-O 2.99Å; D259-Q261 VanDerWaalsContact C-N 3.3Å; D259-Q261 PolarHBondContact O-N 2.77Å; D259-Q261 WeakPolarHBondContact OD1-CA 3.37Å; D259-Q261 PolarHBondContact OD1-N 3.28Å
262	L	87.7	Confident	89.5	Confident	4 Å²	4	21.5 Å²	21.5	2%	0.021	13%	0.129	C	C	.	.			trans	56.6	53.4	-169.5	-68.7	163.4	0	0	0	112.4	N225 V227 I257 D259 C264 F666 A676	N225-L262 HydrophobicContact CB-CD1 3.82Å; V227-L262 HydrophobicContact CG2-CB 3.64Å; V227-L262 HydrophobicContact CG2-CD1 3.64Å; V227-L262 HydrophobicContact CG2-CG 4.3Å; I257-L262 WeakPolarHBondContact O-CA 3.44Å; D259-L262 PolarHBondContact OD1-N 2.69Å; L262-C264 PolarHBondContact O-N 2.86Å; L262-F666 HydrophobicContact CD1-CE1 4.12Å; L262-F666 HydrophobicContact CD2-CE1 3.75Å; L262-F666 HydrophobicContact CD2-CZ 4.05Å; L262-A676 HydrophobicContact CD1-CB 3.4Å
263	N	85.3	Confident	89.2	Confident	33 Å²	33	21.8 Å²	21.8	18%	0.176	13%	0.133	C	C	.	.			trans	-59.7	132.9	178.8	-65.7	-65	0	0	0	111.5	W256 I257 D259 L265	W256-N263 WeakPolarHBondContact CA-O 3.36Å; I257-N263 HydrophobicContact CG2-CB 3.83Å; I257-N263 PolarHBondContact N-O 3.06Å; D259-N263 PolarHBondContact OD2-ND2 3.01Å; N263-L265 PolarHBondContact O-N 3.13Å
264	C	89.7	Confident	89.1	Confident	15 Å²	15	23.1 Å²	23.1	10%	0.101	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.1	167.1	-162.4	0	0	0	0	108.5	W256 L262 P388	W256-C264 HydrophobicContact CD2-CB 4.36Å; W256-C264 HydrophobicContact CE3-CB 3.56Å; W256-C264 HydrophobicContact CH2-CB 4.22Å; W256-C264 HydrophobicContact CZ3-CB 3.48Å; W256-C264 VanDerWaalsContact CZ3-CB 3.48Å; L262-C264 PolarHBondContact O-N 2.86Å; C264-P388 HydrophobicContact CB-CB 4.18Å
265	L	88.3	Confident	89.2	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-35.5	177.5	-60.4	-176.4	0	0	0	112.1	F243 L255 I257 N263 M306 A310 L313 L323 I389	F243-L265 HydrophobicContact CD1-CD1 4.17Å; F243-L265 HydrophobicContact CE1-CD1 3.69Å; L255-L265 PolarHBondContact O-N 2.6Å; I257-L265 HydrophobicContact CB-CD1 4.07Å; I257-L265 HydrophobicContact CB-CG 4.35Å; I257-L265 HydrophobicContact CG2-CD1 4.44Å; I257-L265 HydrophobicContact CG2-CD2 4.16Å; I257-L265 HydrophobicContact CG2-CG 4.25Å; N263-L265 PolarHBondContact O-N 3.13Å; L265-M306 HydrophobicContact CD1-CB 4.37Å; L265-A310 HydrophobicContact CD1-CB 4.28Å; L265-A310 HydrophobicContact CD2-CB 4.4Å; L265-L313 HydrophobicContact CD2-CD1 3.68Å; L265-L323 HydrophobicContact CD2-CD2 4.24Å; L265-I389 PolarHBondContact O-N 3.19Å
266	L	88.8	Confident	89.4	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	139.9	-173.1	175.3	157	0	0	0	111.1	R254 L255 L301 M306 L330 I389 V391	R254-L266 WeakPolarHBondContact CA-O 3.22Å; L255-L266 HydrophobicContact CB-CB 4.05Å; L255-L266 HydrophobicContact CB-CD2 4.44Å; L255-L266 PolarHBondContact N-O 2.88Å; L255-L266 PolarHBondContact O-N 3.45Å; L266-L301 HydrophobicContact CD1-CD2 4.11Å; L266-M306 HydrophobicContact CD1-CE 3.86Å; L266-L330 HydrophobicContact CD1-CD1 3.81Å; L266-I389 CarbonylContact C-O 3.54Å; L266-I389 VanDerWaalsContact CA-O 3.27Å; L266-I389 WeakPolarHBondContact CA-O 3.34Å; L266-V391 HydrophobicContact CD1-CB 4.49Å; L266-V391 HydrophobicContact CD1-CG2 3.66Å; L266-V391 HydrophobicContact CG-CG2 4Å
267	V	91.8	Very high	89.7	Confident	12 Å²	12	22 Å²	22	7%	0.073	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	114.8	168.9	-175.3	0	0	0	0	107.7	T252 R254 M269 P388 I389 A390 V391	T252-V267 HydrophobicContact CG2-CG1 3.98Å; R254-V267 HydrophobicContact CG-CB 4.43Å; R254-V267 HydrophobicContact CG-CG1 4.14Å; R254-V267 HydrophobicContact CG-CG2 4.08Å; V267-M269 HydrophobicContact CG1-CG 3.78Å; V267-M269 HydrophobicContact CG1-SD 4.29Å; V267-P388 HydrophobicContact CG2-CB 4Å; V267-P388 HydrophobicContact CG2-CG 3.46Å; V267-P388 VanDerWaalsContact CG2-CG 3.46Å; V267-I389 PolarHBondContact N-O 3.1Å; V267-A390 WeakPolarHBondContact O-CA 3.47Å; V267-V391 PolarHBondContact O-N 2.84Å
268	Y	91.8	Very high	90	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.7	174.4	-174.9	-108.5	0	0	0	110	T252 A253 H271 H297 I299 V391 P394	T252-Y268 WeakPolarHBondContact CA-O 3.49Å; T252-Y268 VanDerWaalsContact CB-O 3.31Å; T252-Y268 WeakPolarHBondContact CB-O 3.44Å; A253-Y268 PolarHBondContact N-O 2.64Å; A253-Y268 VanDerWaalsContact N-O 3.12Å; A253-Y268 WeakPolarHBondContact O-CB 3.12Å; A253-Y268 PolarHBondContact O-N 2.92Å; Y268-H271 AromaticContact CE1-CD2 3.94Å; Y268-H297 HydrophobicContact CE1-CB 4.21Å; Y268-H297 AromaticContact CE1-ND1 3.84Å; Y268-H297 AromaticContact CZ-ND1 3.75Å; Y268-H297 PolarHBondContact OH-ND1 3.17Å; Y268-I299 HydrophobicContact CD1-CD1 3.75Å; Y268-I299 HydrophobicContact CD2-CD1 3.46Å; Y268-I299 VanDerWaalsContact CD2-CD1 3.46Å; Y268-I299 HydrophobicContact CD2-CG1 4.15Å; Y268-I299 HydrophobicContact CE1-CD1 3.82Å; Y268-I299 HydrophobicContact CE2-CD1 3.55Å; Y268-I299 HydrophobicContact CE2-CG1 3.83Å; Y268-I299 HydrophobicContact CG-CD1 3.57Å; Y268-V391 CarbonylContact C-O 3.57Å; Y268-V391 WeakPolarHBondContact CA-O 3.09Å; Y268-V391 HydrophobicContact CD2-CB 4.08Å; Y268-V391 HydrophobicContact CD2-CG1 3.93Å; Y268-V391 VanDerWaalsContact CD2-O 3.28Å; Y268-V391 WeakPolarHBondContact CD2-O 3.38Å; Y268-V391 HydrophobicContact CE2-CG1 4.14Å; Y268-P394 WeakPolarHBondContact OH-CB 3.11Å
269	M	90.2	Very high	90.1	Very high	47 Å²	47	22.8 Å²	22.8	23%	0.232	14%	0.143	C	C	.	.			trans	-128.3	33.8	-172.9	-54.9	177.2	70.1	0	0	111.5	T252 V267 V391 R392	T252-M269 HydrophobicContact CG2-CG 3.96Å; V267-M269 HydrophobicContact CG1-CG 3.78Å; V267-M269 HydrophobicContact CG1-SD 4.29Å; M269-V391 PolarHBondContact N-O 3.49Å; M269-R392 HydrophobicContact CB-CG 4.16Å
270	G	85.7	Confident	90.4	Very high	21 Å²	21	22.9 Å²	22.9	22%	0.216	14%	0.143	C	C	.	.			trans	-89.7	-13.3	-178.3	0	0	0	0	0	115.4	H297 R392	G270-H297 PolarHBondContact O-CE1 3Å; G270-H297 VanDerWaalsContact O-CE1 3.31Å; G270-R392 WeakPolarHBondContact CA-O 3.25Å
271	H	89	Confident	90.5	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.056	12%	0.124	C	C	.	.			trans	-89.2	151	178.6	-77.1	-60.9	0	0	0	111.9	Y268 V275 T289 S291 D293 T295 H297	Y268-H271 AromaticContact CE1-CD2 3.94Å; H271-V275 HydrophobicContact CB-CG2 4.06Å; H271-T289 PolarHBondContact NE2-OG1 2.87Å; H271-S291 VanDerWaalsContact CE1-CB 3.48Å; H271-S291 WeakPolarHBondContact CE1-CB 3.34Å; H271-S291 VanDerWaalsContact CG-CB 3.44Å; H271-S291 WeakPolarHBondContact ND1-CB 3.28Å; H271-D293 WeakPolarHBondContact CB-OD2 3.41Å; H271-D293 IonicContact CG-OD2 2.79Å; H271-D293 IonicContact ND1-OD1 3.17Å; H271-D293 IonicContact ND1-OD2 3.17Å; H271-D293 PolarHBondContact ND1-OD2 2.93Å; H271-T295 PolarHBondContact CE1-OG1 3.23Å; H271-T295 VanDerWaalsContact CE1-OG1 3.28Å; H271-T295 PolarHBondContact ND1-OG1 2.92Å; H271-T295 VanDerWaalsContact ND1-OG1 3.14Å; H271-H297 AromaticContact CE1-CD2 3.56Å; H271-H297 AromaticContact CE1-CE1 3.74Å; H271-H297 AromaticContact CE1-CG 3.31Å; H271-H297 AromaticContact CE1-ND1 3.42Å; H271-H297 PolarHBondContact CE1-ND1 2.82Å; H271-H297 AromaticContact CE1-NE2 3.85Å; H271-H297 AromaticContact ND1-CE1 3.56Å; H271-H297 AromaticContact ND1-CG 3.92Å; H271-H297 AromaticContact ND1-ND1 3.57Å; H271-H297 AromaticContact ND1-NE2 3.9Å; H271-H297 AromaticContact NE2-CG 3.7Å; H271-H297 AromaticContact NE2-ND1 3.79Å
272	S	88.2	Confident	90.3	Very high	108 Å²	108	18.1 Å²	18.1	76%	0.755	11%	0.114	S	C	*	.	S	Bend	trans	-102.1	-0.4	175.2	-59.9	0	0	0	0	113	N251 D293	N251-S272 PolarHBondContact ND2-O 2.8Å; S272-D293 PolarHBondContact N-OD2 3.28Å
273	G	89	Confident	89.7	Confident	13 Å²	13	23.1 Å²	23.1	13%	0.134	14%	0.135	C	C	.	.	S	Bend	trans	-137.4	177.6	174.3	0	0	0	0	0	113.2	N251 V275 S291 D293	N251-G273 WeakPolarHBondContact CA-O 2.98Å; N251-G273 VanDerWaalsContact CG-C 3.49Å; N251-G273 WeakPolarHBondContact OD1-CA 3.22Å; N251-G273 PolarHBondContact OD1-O 3.5Å; G273-V275 PolarHBondContact O-N 2.97Å; G273-S291 VanDerWaalsContact C-OG 3.31Å; G273-S291 PolarHBondContact O-OG 2.9Å; G273-S291 VanDerWaalsContact O-OG 3.07Å; G273-D293 PolarHBondContact N-OD2 3.14Å
274	S	94.3	Very high	89.2	Confident	27 Å²	27	23.6 Å²	23.6	19%	0.189	14%	0.138	C	C	.	.			trans	-51.1	121.5	180	169	0	0	0	0	111.8	W235 A249 N251 N276 S291 G292	W235-S274 PolarHBondContact NE1-OG 3Å; A249-S274 WeakPolarHBondContact CA-OG 3.42Å; N251-S274 PolarHBondContact OD1-N 2.85Å; N251-S274 VanDerWaalsContact OD1-N 3.13Å; S274-N276 PolarHBondContact O-N 2.93Å; S274-N276 PolarHBondContact O-ND2 2.95Å; S274-N276 PolarHBondContact O-OD1 3.06Å; S274-N276 PolarHBondContact OG-OD1 2.93Å; S274-S291 CarbonylContact O-C 3.52Å; S274-S291 VanDerWaalsContact O-CA 3.29Å; S274-S291 WeakPolarHBondContact O-CA 3.45Å; S274-S291 PolarHBondContact O-OG 2.94Å; S274-G292 PolarHBondContact O-N 2.77Å
275	V	96.9	Very high	88.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	108.1	176.8	-164.3	0	0	0	0	108.6	A247 S248 A253 H271 G273 T289	A247-V275 CarbonylContact C-O 3.57Å; A247-V275 VanDerWaalsContact C-O 3.3Å; A247-V275 HydrophobicContact CB-CB 4.14Å; A247-V275 HydrophobicContact CB-CG1 3.87Å; A247-V275 WeakPolarHBondContact CB-O 3.14Å; S248-V275 PolarHBondContact N-O 3.07Å; S248-V275 PolarHBondContact O-N 2.74Å; A253-V275 HydrophobicContact CB-CG1 4.38Å; H271-V275 HydrophobicContact CB-CG2 4.06Å; G273-V275 PolarHBondContact O-N 2.97Å; V275-T289 HydrophobicContact CG1-CG2 4.19Å
276	N	97.1	Very high	88.9	Confident	18 Å²	18	24.9 Å²	24.9	10%	0.096	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-20.9	-167.3	-61.8	-33.6	0	0	0	113.3	S274 S290 G292 L428 R560	S274-N276 PolarHBondContact O-N 2.93Å; S274-N276 PolarHBondContact O-ND2 2.95Å; S274-N276 PolarHBondContact O-OD1 3.06Å; S274-N276 PolarHBondContact OG-OD1 2.93Å; N276-S290 PolarHBondContact N-O 3.22Å; N276-G292 PolarHBondContact ND2-N 2.87Å; N276-L428 PolarHBondContact ND2-O 3.24Å; N276-R560 PolarHBondContact O-NH2 2.82Å
277	S	97.4	Very high	89	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.007	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	152.5	-178.3	-174.2	0	0	0	0	112.4	E236 T289 S290	E236-S277 WeakPolarHBondContact OE2-CA 3.25Å; E236-S277 VanDerWaalsContact OE2-CB 3.25Å; E236-S277 WeakPolarHBondContact OE2-CB 3.41Å; E236-S277 PolarHBondContact OE2-OG 2.77Å; S277-T289 WeakPolarHBondContact O-CA 3.4Å; S277-S290 WeakPolarHBondContact CB-OG 3.16Å; S277-S290 PolarHBondContact N-O 2.93Å; S277-S290 PolarHBondContact O-N 2.95Å; S277-S290 VanDerWaalsContact O-N 3.15Å
278	V	96.7	Very high	89.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132.1	172.6	61.5	0	0	0	0	112.1	E236 T238 A245 A247 M287 L288 T289	E236-V278 PolarHBondContact OE2-N 3.03Å; T238-V278 WeakPolarHBondContact CB-O 3.27Å; T238-V278 PolarHBondContact OG1-O 3.04Å; A245-V278 HydrophobicContact CB-CB 4.44Å; A245-V278 HydrophobicContact CB-CG1 3.84Å; A245-V278 HydrophobicContact CB-CG2 3.72Å; A247-V278 HydrophobicContact CB-CB 4.1Å; A247-V278 HydrophobicContact CB-CG1 3.93Å; V278-M287 HydrophobicContact CG2-CG 3.72Å; V278-M287 HydrophobicContact CG2-SD 3.86Å; V278-L288 CarbonylContact C-O 3.58Å; V278-L288 VanDerWaalsContact CA-O 3.31Å; V278-L288 WeakPolarHBondContact CA-O 3.39Å; V278-T289 HydrophobicContact CB-CG2 4.29Å; V278-T289 HydrophobicContact CG2-CG2 3.97Å
279	R	94.7	Very high	89.3	Confident	15 Å²	15	24.3 Å²	24.3	6%	0.057	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	159.3	179	-70.1	-69.6	175.3	-93.2	-35.8	111.9	E236 T238 M287 L288 A431 D432 F433 R474	E236-R279 VanDerWaalsContact CD-NH2 3.33Å; E236-R279 IonicContact OE1-CZ 3.35Å; E236-R279 VanDerWaalsContact OE1-CZ 3.23Å; E236-R279 IonicContact OE1-NH1 2.7Å; E236-R279 PolarHBondContact OE1-NH1 3Å; E236-R279 IonicContact OE1-NH2 3.63Å; E236-R279 PolarHBondContact OE1-NH2 3.02Å; E236-R279 IonicContact OE2-CZ 3.8Å; E236-R279 IonicContact OE2-NH1 3.88Å; E236-R279 PolarHBondContact OE2-NH1 2.8Å; E236-R279 IonicContact OE2-NH2 2.72Å; E236-R279 PolarHBondContact OE2-NH2 2.87Å; E236-R279 VanDerWaalsContact OE2-NH2 3.13Å; T238-R279 PolarHBondContact OG1-NH1 2.98Å; R279-M287 CarbonylContact O-C 3.58Å; R279-M287 VanDerWaalsContact O-CA 3.29Å; R279-M287 WeakPolarHBondContact O-CA 3.27Å; R279-L288 PolarHBondContact N-O 2.84Å; R279-L288 PolarHBondContact O-N 3.04Å; R279-A431 VanDerWaalsContact CG-O 3.25Å; R279-A431 WeakPolarHBondContact CG-O 3.32Å; R279-D432 HydrophobicContact CG-CB 4.43Å; R279-D432 IonicContact NE-OD1 3.74Å; R279-F433 HydrophobicContact CB-CD2 4.42Å; R279-F433 HydrophobicContact CB-CE2 4.36Å; R279-R474 VanDerWaalsContact CZ-NH1 3.28Å; R279-R474 VanDerWaalsContact NH2-NH2 3.12Å
280	F	91.6	Very high	89.6	Confident	7 Å²	7	22.1 Å²	22.1	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.6	173.3	-63.9	-77.6	0	0	0	110.9	T238 F240 A245 L255 L286 M287 L301 F303	T238-F280 HydrophobicContact CG2-CD2 3.85Å; T238-F280 HydrophobicContact CG2-CE2 4.24Å; F240-F280 HydrophobicContact CB-CB 3.87Å; F240-F280 HydrophobicContact CB-CD1 4.19Å; F240-F280 HydrophobicContact CB-CD2 3.26Å; F240-F280 HydrophobicContact CB-CE1 4.49Å; F240-F280 HydrophobicContact CB-CE2 3.62Å; F240-F280 HydrophobicContact CB-CG 3.53Å; F240-F280 HydrophobicContact CB-CZ 4.2Å; F240-F280 HydrophobicContact CD1-CG 4.49Å; F240-F280 HydrophobicContact CD2-CB 3.98Å; F240-F280 HydrophobicContact CG-CB 3.87Å; F240-F280 HydrophobicContact CG-CD1 4.42Å; F240-F280 HydrophobicContact CG-CD2 4.17Å; F240-F280 AromaticContact CG-CG 3.93Å; F240-F280 HydrophobicContact CG-CG 3.93Å; A245-F280 HydrophobicContact CB-CE1 4.36Å; A245-F280 HydrophobicContact CB-CE2 3.64Å; A245-F280 HydrophobicContact CB-CZ 3.4Å; A245-F280 VanDerWaalsContact CB-CZ 3.4Å; L255-F280 HydrophobicContact CD1-CE1 3.83Å; L255-F280 HydrophobicContact CD1-CZ 3.56Å; F280-L286 CarbonylContact C-O 3.52Å; F280-L286 VanDerWaalsContact CA-O 3.3Å; F280-L286 WeakPolarHBondContact CA-O 3.23Å; F280-M287 HydrophobicContact CD1-CB 4.05Å; F280-M287 HydrophobicContact CD1-CG 4.12Å; F280-M287 HydrophobicContact CE1-CB 4.21Å; F280-M287 HydrophobicContact CE1-CG 4.02Å; F280-M287 HydrophobicContact CE1-SD 3.91Å; F280-M287 HydrophobicContact CZ-SD 4.42Å; F280-L301 HydrophobicContact CD1-CD1 4.4Å; F280-L301 HydrophobicContact CE1-CD1 3.94Å; F280-F303 AromaticContact CD1-CZ 3.76Å; F280-F303 HydrophobicContact CD1-CZ 3.76Å; F280-F303 HydrophobicContact CE1-CE1 4.34Å; F280-F303 AromaticContact CE1-CZ 3.78Å; F280-F303 HydrophobicContact CE1-CZ 3.78Å
281	R	87.1	Confident	90	Very high	26 Å²	26	21.1 Å²	21.1	10%	0.098	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.7	167.8	-162	165	85.7	157.9	0.6	110.3	K283 D284 S285 L286 F433 E438	R281-K283 PolarHBondContact O-N 2.79Å; R281-D284 IonicContact CZ-OD2 3.4Å; R281-D284 IonicContact NE-OD2 3.95Å; R281-D284 PolarHBondContact NE-OD2 2.89Å; R281-D284 IonicContact NH2-OD2 3.47Å; R281-D284 PolarHBondContact NH2-OD2 2.83Å; R281-S285 PolarHBondContact O-N 2.81Å; R281-L286 HydrophobicContact CB-CB 4.09Å; R281-L286 PolarHBondContact N-O 3.12Å; R281-F433 HydrophobicContact CB-CD1 4.37Å; R281-F433 HydrophobicContact CB-CD2 3.83Å; R281-F433 HydrophobicContact CB-CE1 4.25Å; R281-F433 HydrophobicContact CB-CE2 3.71Å; R281-F433 HydrophobicContact CB-CG 4.15Å; R281-F433 HydrophobicContact CB-CZ 3.9Å; R281-F433 HydrophobicContact CG-CD1 4.46Å; R281-F433 HydrophobicContact CG-CD2 4.36Å; R281-F433 HydrophobicContact CG-CG 4.25Å; R281-E438 IonicContact CZ-OE2 3.75Å; R281-E438 IonicContact NH1-OE2 3.56Å; R281-E438 PolarHBondContact NH1-OE2 2.86Å; R281-E438 IonicContact NH2-OE2 2.91Å; R281-E438 PolarHBondContact NH2-OE2 3.05Å
282	S	74.2	Confident	90.2	Very high	19 Å²	19	21.8 Å²	21.8	13%	0.133	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-34.3	-172.4	56.5	0	0	0	0	115.1	S568	S282-S568 VanDerWaalsContact CB-O 3.22Å; S282-S568 WeakPolarHBondContact CB-O 3.43Å
283	K	76.8	Confident	90.2	Very high	108 Å²	108	18.4 Å²	18.4	47%	0.47	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-49.3	-173.3	-175.6	-172.1	158.9	-176.3	0	112.9	R281 E438	R281-K283 PolarHBondContact O-N 2.79Å; K283-E438 IonicContact NZ-OE1 2.75Å; K283-E438 PolarHBondContact NZ-OE1 3.04Å
284	D	74.4	Confident	90.2	Very high	44 Å²	44	17.8 Å²	17.8	24%	0.235	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	19	-166.5	-45.8	-72.4	0	0	0	113.7	R281 L286	R281-D284 IonicContact CZ-OD2 3.4Å; R281-D284 IonicContact NE-OD2 3.95Å; R281-D284 PolarHBondContact NE-OD2 2.89Å; R281-D284 IonicContact NH2-OD2 3.47Å; R281-D284 PolarHBondContact NH2-OD2 2.83Å; D284-L286 VanDerWaalsContact C-N 3.28Å; D284-L286 HydrophobicContact CB-CD1 4.39Å; D284-L286 HydrophobicContact CB-CG 4.16Å; D284-L286 PolarHBondContact O-N 2.89Å
285	S	82.6	Confident	90.1	Very high	30 Å²	30	17.5 Å²	17.5	21%	0.21	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	36.2	177.2	-52.5	0	0	0	0	114.4	R281 L301 F303	R281-S285 PolarHBondContact O-N 2.81Å; S285-L301 WeakPolarHBondContact CB-O 3.2Å; S285-L301 PolarHBondContact O-N 3.24Å; S285-F303 VanDerWaalsContact CB-CD2 3.42Å
286	L	87.6	Confident	89.9	Confident	13 Å²	13	17.5 Å²	17.5	7%	0.068	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	146.9	-180	-55.6	177	0	0	0	111.3	F280 R281 D284 L298 I299 R300 F433	F280-L286 CarbonylContact C-O 3.52Å; F280-L286 VanDerWaalsContact CA-O 3.3Å; F280-L286 WeakPolarHBondContact CA-O 3.23Å; R281-L286 HydrophobicContact CB-CB 4.09Å; R281-L286 PolarHBondContact N-O 3.12Å; D284-L286 VanDerWaalsContact C-N 3.28Å; D284-L286 HydrophobicContact CB-CD1 4.39Å; D284-L286 HydrophobicContact CB-CG 4.16Å; D284-L286 PolarHBondContact O-N 2.89Å; L286-L298 HydrophobicContact CB-CD1 4Å; L286-L298 HydrophobicContact CD1-CD1 4.12Å; L286-L298 HydrophobicContact CD1-CD2 4.29Å; L286-L298 HydrophobicContact CD1-CG 4.49Å; L286-I299 CarbonylContact C-O 3.6Å; L286-I299 WeakPolarHBondContact CA-O 3.39Å; L286-R300 HydrophobicContact CD2-CB 3.94Å; L286-R300 HydrophobicContact CD2-CG 3.96Å; L286-F433 HydrophobicContact CB-CZ 4.13Å
287	M	91.7	Very high	89.7	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.6	167.4	-175.1	174.8	74.4	0	0	109	A245 V278 R279 F280 T289 I299 L301	A245-M287 HydrophobicContact CB-SD 4.31Å; V278-M287 HydrophobicContact CG2-CG 3.72Å; V278-M287 HydrophobicContact CG2-SD 3.86Å; R279-M287 CarbonylContact O-C 3.58Å; R279-M287 VanDerWaalsContact O-CA 3.29Å; R279-M287 WeakPolarHBondContact O-CA 3.27Å; F280-M287 HydrophobicContact CD1-CB 4.05Å; F280-M287 HydrophobicContact CD1-CG 4.12Å; F280-M287 HydrophobicContact CE1-CB 4.21Å; F280-M287 HydrophobicContact CE1-CG 4.02Å; F280-M287 HydrophobicContact CE1-SD 3.91Å; F280-M287 HydrophobicContact CZ-SD 4.42Å; M287-T289 HydrophobicContact CE-CG2 4.5Å; M287-I299 HydrophobicContact CE-CD1 3.52Å; M287-I299 PolarHBondContact N-O 3.47Å; M287-I299 PolarHBondContact O-N 2.55Å; M287-L301 HydrophobicContact CB-CD1 3.68Å; M287-L301 HydrophobicContact CB-CG 4.14Å; M287-L301 HydrophobicContact CG-CD1 4.45Å; M287-L301 HydrophobicContact SD-CD1 4.1Å
288	L	94.2	Very high	89.3	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.3	178.6	176.4	62.2	0	0	0	108.7	V278 R279 A296 H297 L298 A431 F433 L440	V278-L288 CarbonylContact C-O 3.58Å; V278-L288 VanDerWaalsContact CA-O 3.31Å; V278-L288 WeakPolarHBondContact CA-O 3.39Å; R279-L288 PolarHBondContact N-O 2.84Å; R279-L288 PolarHBondContact O-N 3.04Å; L288-A296 HydrophobicContact CD1-CB 4.13Å; L288-H297 WeakPolarHBondContact CA-O 3.25Å; L288-L298 HydrophobicContact CB-CD1 4.35Å; L288-L298 HydrophobicContact CD1-CD1 4.46Å; L288-A431 HydrophobicContact CD2-CB 3.77Å; L288-A431 HydrophobicContact CG-CB 4.08Å; L288-F433 HydrophobicContact CB-CE1 4.39Å; L288-F433 HydrophobicContact CB-CE2 3.65Å; L288-F433 HydrophobicContact CB-CZ 3.54Å; L288-F433 HydrophobicContact CD2-CE1 4.3Å; L288-F433 HydrophobicContact CD2-CE2 4.23Å; L288-F433 HydrophobicContact CD2-CZ 4.15Å; L288-F433 HydrophobicContact CG-CZ 4.44Å; L288-L440 HydrophobicContact CD1-CD2 3.89Å; L288-L440 HydrophobicContact CD2-CB 4.16Å; L288-L440 HydrophobicContact CD2-CD2 4.09Å
289	T	95.7	Very high	88.9	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	151.4	172.6	55.1	0	0	0	0	110.2	A253 H271 V275 S277 V278 M287 A296 H297	A253-T289 HydrophobicContact CB-CG2 3.68Å; H271-T289 PolarHBondContact NE2-OG1 2.87Å; V275-T289 HydrophobicContact CG1-CG2 4.19Å; S277-T289 WeakPolarHBondContact O-CA 3.4Å; V278-T289 HydrophobicContact CB-CG2 4.29Å; V278-T289 HydrophobicContact CG2-CG2 3.97Å; M287-T289 HydrophobicContact CE-CG2 4.5Å; T289-A296 CarbonylContact O-C 3.56Å; T289-A296 WeakPolarHBondContact O-CA 3.1Å; T289-A296 WeakPolarHBondContact O-CB 3.42Å; T289-H297 PolarHBondContact N-O 3.19Å; T289-H297 PolarHBondContact O-N 3.07Å; T289-H297 PolarHBondContact OG1-O 2.72Å
290	S	95.8	Very high	88.5	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.3	173.4	73.9	0	0	0	0	111.5	N276 S277 A430	N276-S290 PolarHBondContact N-O 3.22Å; S277-S290 WeakPolarHBondContact CB-OG 3.16Å; S277-S290 PolarHBondContact N-O 2.93Å; S277-S290 PolarHBondContact O-N 2.95Å; S277-S290 VanDerWaalsContact O-N 3.15Å; S290-A430 WeakPolarHBondContact OG-CA 3.48Å
291	S	95.9	Very high	88.2	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	159	-165.3	171.7	0	0	0	0	114.6	H271 G273 S274 D293 G294 T295 L428	H271-S291 VanDerWaalsContact CE1-CB 3.48Å; H271-S291 WeakPolarHBondContact CE1-CB 3.34Å; H271-S291 VanDerWaalsContact CG-CB 3.44Å; H271-S291 WeakPolarHBondContact ND1-CB 3.28Å; G273-S291 VanDerWaalsContact C-OG 3.31Å; G273-S291 PolarHBondContact O-OG 2.9Å; G273-S291 VanDerWaalsContact O-OG 3.07Å; S274-S291 CarbonylContact O-C 3.52Å; S274-S291 VanDerWaalsContact O-CA 3.29Å; S274-S291 WeakPolarHBondContact O-CA 3.45Å; S274-S291 PolarHBondContact O-OG 2.94Å; S291-D293 VanDerWaalsContact CB-OD1 3.23Å; S291-D293 WeakPolarHBondContact CB-OD1 3.37Å; S291-D293 WeakPolarHBondContact CB-OD2 3.04Å; S291-D293 PolarHBondContact O-N 2.79Å; S291-D293 PolarHBondContact OG-N 2.93Å; S291-D293 VanDerWaalsContact OG-N 3.17Å; S291-D293 PolarHBondContact OG-OD1 2.57Å; S291-D293 PolarHBondContact OG-OD2 2.89Å; S291-G294 PolarHBondContact O-N 2.9Å; S291-G294 VanDerWaalsContact O-N 3.13Å; S291-T295 PolarHBondContact N-O 3.23Å; S291-L428 PolarHBondContact O-N 2.97Å
292	G	92.2	Very high	87.9	Confident	26 Å²	26	21.3 Å²	21.3	27%	0.268	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.4	170.3	0	0	0	0	0	114.7	S274 N276 G294	S274-G292 PolarHBondContact O-N 2.77Å; N276-G292 PolarHBondContact ND2-N 2.87Å; G292-G294 PolarHBondContact O-N 3.17Å
293	D	88	Confident	88.2	Confident	37 Å²	37	20.5 Å²	20.5	20%	0.198	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-4.6	168.4	57.1	37.5	0	0	0	113.6	H271 S272 G273 S291 T295 S425	H271-D293 WeakPolarHBondContact CB-OD2 3.41Å; H271-D293 IonicContact CG-OD2 2.79Å; H271-D293 IonicContact ND1-OD1 3.17Å; H271-D293 IonicContact ND1-OD2 3.17Å; H271-D293 PolarHBondContact ND1-OD2 2.93Å; S272-D293 PolarHBondContact N-OD2 3.28Å; G273-D293 PolarHBondContact N-OD2 3.14Å; S291-D293 VanDerWaalsContact CB-OD1 3.23Å; S291-D293 WeakPolarHBondContact CB-OD1 3.37Å; S291-D293 WeakPolarHBondContact CB-OD2 3.04Å; S291-D293 PolarHBondContact O-N 2.79Å; S291-D293 PolarHBondContact OG-N 2.93Å; S291-D293 VanDerWaalsContact OG-N 3.17Å; S291-D293 PolarHBondContact OG-OD1 2.57Å; S291-D293 PolarHBondContact OG-OD2 2.89Å; D293-T295 WeakPolarHBondContact OD1-CB 3.39Å; D293-T295 PolarHBondContact OD1-N 2.85Å; D293-T295 PolarHBondContact OD1-OG1 2.68Å; D293-S425 PolarHBondContact O-OG 2.75Å
294	G	89.6	Confident	88.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	87.7	6.8	179.5	0	0	0	0	0	114.4	S291 G292 S400 S426	S291-G294 PolarHBondContact O-N 2.9Å; S291-G294 VanDerWaalsContact O-N 3.13Å; G292-G294 PolarHBondContact O-N 3.17Å; G294-S400 PolarHBondContact O-N 3.39Å; G294-S400 PolarHBondContact O-OG 3.13Å; G294-S426 WeakPolarHBondContact CA-O 3.45Å
295	T	91.6	Very high	88.8	Confident	21 Å²	21	21.2 Å²	21.2	13%	0.129	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151	177.8	70.8	0	0	0	0	113.2	H271 S291 D293 H297 V397 F398 Q399 L428	H271-T295 PolarHBondContact CE1-OG1 3.23Å; H271-T295 VanDerWaalsContact CE1-OG1 3.28Å; H271-T295 PolarHBondContact ND1-OG1 2.92Å; H271-T295 VanDerWaalsContact ND1-OG1 3.14Å; S291-T295 PolarHBondContact N-O 3.23Å; D293-T295 WeakPolarHBondContact OD1-CB 3.39Å; D293-T295 PolarHBondContact OD1-N 2.85Å; D293-T295 PolarHBondContact OD1-OG1 2.68Å; T295-H297 PolarHBondContact OG1-NE2 3.15Å; T295-V397 HydrophobicContact CG2-CG1 4.22Å; T295-F398 CarbonylContact C-O 3.58Å; T295-F398 VanDerWaalsContact CA-O 3.27Å; T295-F398 WeakPolarHBondContact CA-O 3.32Å; T295-Q399 HydrophobicContact CG2-CG 4.48Å; T295-L428 VanDerWaalsContact C-CD1 3.43Å; T295-L428 WeakPolarHBondContact O-CD1 3.42Å
296	A	92.6	Very high	88.8	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.4	164.5	0	0	0	0	0	109.7	L288 T289 F398 L428 A431 T442	L288-A296 HydrophobicContact CD1-CB 4.13Å; T289-A296 CarbonylContact O-C 3.56Å; T289-A296 WeakPolarHBondContact O-CA 3.1Å; T289-A296 WeakPolarHBondContact O-CB 3.42Å; A296-F398 HydrophobicContact CB-CB 4.45Å; A296-F398 PolarHBondContact N-O 2.97Å; A296-F398 PolarHBondContact O-N 3.47Å; A296-L428 HydrophobicContact CB-CD1 3.71Å; A296-A431 HydrophobicContact CB-CB 4.36Å; A296-T442 HydrophobicContact CB-CG2 3.94Å
297	H	92.6	Very high	88.5	Confident	14 Å²	14	21.3 Å²	21.3	7%	0.065	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.6	-173.7	-73.4	-175.6	0	0	0	110.3	Y268 G270 H271 L288 T289 T295 P394	Y268-H297 HydrophobicContact CE1-CB 4.21Å; Y268-H297 AromaticContact CE1-ND1 3.84Å; Y268-H297 AromaticContact CZ-ND1 3.75Å; Y268-H297 PolarHBondContact OH-ND1 3.17Å; G270-H297 PolarHBondContact O-CE1 3Å; G270-H297 VanDerWaalsContact O-CE1 3.31Å; H271-H297 AromaticContact CE1-CD2 3.56Å; H271-H297 AromaticContact CE1-CE1 3.74Å; H271-H297 AromaticContact CE1-CG 3.31Å; H271-H297 AromaticContact CE1-ND1 3.42Å; H271-H297 PolarHBondContact CE1-ND1 2.82Å; H271-H297 AromaticContact CE1-NE2 3.85Å; H271-H297 AromaticContact ND1-CE1 3.56Å; H271-H297 AromaticContact ND1-CG 3.92Å; H271-H297 AromaticContact ND1-ND1 3.57Å; H271-H297 AromaticContact ND1-NE2 3.9Å; H271-H297 AromaticContact NE2-CG 3.7Å; H271-H297 AromaticContact NE2-ND1 3.79Å; L288-H297 WeakPolarHBondContact CA-O 3.25Å; T289-H297 PolarHBondContact N-O 3.19Å; T289-H297 PolarHBondContact O-N 3.07Å; T289-H297 PolarHBondContact OG1-O 2.72Å; T295-H297 PolarHBondContact OG1-NE2 3.15Å; H297-P394 HydrophobicContact CB-CB 3.94Å
298	L	90.6	Very high	88	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.026	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.5	175.5	-171.2	67.3	0	0	0	109.1	L286 L288 H395 A396 F398 F433 L454	L286-L298 HydrophobicContact CB-CD1 4Å; L286-L298 HydrophobicContact CD1-CD1 4.12Å; L286-L298 HydrophobicContact CD1-CD2 4.29Å; L286-L298 HydrophobicContact CD1-CG 4.49Å; L288-L298 HydrophobicContact CB-CD1 4.35Å; L288-L298 HydrophobicContact CD1-CD1 4.46Å; L298-H395 WeakPolarHBondContact O-CA 3.09Å; L298-H395 WeakPolarHBondContact O-CB 3.29Å; L298-H395 PolarHBondContact O-N 3.29Å; L298-A396 HydrophobicContact CB-CB 4.17Å; L298-A396 HydrophobicContact CD2-CB 4.41Å; L298-A396 PolarHBondContact N-O 2.85Å; L298-A396 PolarHBondContact O-N 2.85Å; L298-F398 HydrophobicContact CB-CE2 4.05Å; L298-F398 HydrophobicContact CD2-CE2 4.37Å; L298-F433 HydrophobicContact CD1-CE1 3.72Å; L298-F433 HydrophobicContact CD1-CZ 3.6Å; L298-L454 HydrophobicContact CD2-CD2 4.11Å
299	I	88.1	Confident	87.2	Confident	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.2	-175.3	-55.8	153	0	0	0	107.4	Y268 L286 M287 L301	Y268-I299 HydrophobicContact CD1-CD1 3.75Å; Y268-I299 HydrophobicContact CD2-CD1 3.46Å; Y268-I299 VanDerWaalsContact CD2-CD1 3.46Å; Y268-I299 HydrophobicContact CD2-CG1 4.15Å; Y268-I299 HydrophobicContact CE1-CD1 3.82Å; Y268-I299 HydrophobicContact CE2-CD1 3.55Å; Y268-I299 HydrophobicContact CE2-CG1 3.83Å; Y268-I299 HydrophobicContact CG-CD1 3.57Å; L286-I299 CarbonylContact C-O 3.6Å; L286-I299 WeakPolarHBondContact CA-O 3.39Å; M287-I299 HydrophobicContact CE-CD1 3.52Å; M287-I299 PolarHBondContact N-O 3.47Å; M287-I299 PolarHBondContact O-N 2.55Å; I299-L301 HydrophobicContact CG2-CD2 3.86Å
300	R	86.1	Confident	86.3	Confident	103 Å²	103	27.8 Å²	27.8	39%	0.389	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.5	171.8	-167.3	173.3	173.1	104.7	6.1	108.9	L286 L330 E333	L286-R300 HydrophobicContact CD2-CB 3.94Å; L286-R300 HydrophobicContact CD2-CG 3.96Å; R300-L330 VanDerWaalsContact O-CD2 3.27Å; R300-L330 WeakPolarHBondContact O-CD2 3.31Å; R300-E333 WeakPolarHBondContact CB-OE2 3.26Å; R300-E333 VanDerWaalsContact CD-CD 3.44Å; R300-E333 WeakPolarHBondContact CD-OE1 3.49Å; R300-E333 VanDerWaalsContact CG-OE2 3.27Å; R300-E333 WeakPolarHBondContact CG-OE2 3.46Å; R300-E333 IonicContact CZ-OE1 3.97Å; R300-E333 IonicContact NE-OE1 2.84Å; R300-E333 PolarHBondContact NE-OE1 3.07Å
301	L	84.2	Confident	85.4	Confident	2 Å²	2	31 Å²	31	1%	0.01	16%	0.163	C	C	.	.			trans	-121	123.3	-177	-59.1	178.6	0	0	0	109.8	L255 L266 F280 S285 M287 I299 F303 M306 L330	L255-L301 HydrophobicContact CD2-CD1 4.09Å; L266-L301 HydrophobicContact CD1-CD2 4.11Å; F280-L301 HydrophobicContact CD1-CD1 4.4Å; F280-L301 HydrophobicContact CE1-CD1 3.94Å; S285-L301 WeakPolarHBondContact CB-O 3.2Å; S285-L301 PolarHBondContact O-N 3.24Å; M287-L301 HydrophobicContact CB-CD1 3.68Å; M287-L301 HydrophobicContact CB-CG 4.14Å; M287-L301 HydrophobicContact CG-CD1 4.45Å; M287-L301 HydrophobicContact SD-CD1 4.1Å; I299-L301 HydrophobicContact CG2-CD2 3.86Å; L301-F303 HydrophobicContact CB-CD1 4.37Å; L301-F303 HydrophobicContact CB-CE1 4.24Å; L301-F303 HydrophobicContact CB-CE2 4.42Å; L301-F303 HydrophobicContact CB-CZ 4.25Å; L301-F303 HydrophobicContact CD1-CE1 3.77Å; L301-F303 HydrophobicContact CD1-CE2 4.44Å; L301-F303 HydrophobicContact CD1-CZ 3.64Å; L301-F303 PolarHBondContact O-N 2.81Å; L301-M306 HydrophobicContact CB-CE 4.24Å; L301-M306 HydrophobicContact CB-SD 4.09Å; L301-M306 HydrophobicContact CD2-CE 3.88Å; L301-L330 HydrophobicContact CD2-CD2 4.35Å
302	P	82.1	Confident	84.4	Confident	19 Å²	19	32.5 Å²	32.5	12%	0.123	17%	0.173	C	C	.	.			trans	-78.1	72.4	174.9	32.3	-35.6	0	0	0	110.2	D304 L305 M306 V326 A329 L330	P302-D304 PolarHBondContact O-N 2.88Å; P302-D304 VanDerWaalsContact O-N 3.09Å; P302-L305 HydrophobicContact CB-CB 4.21Å; P302-L305 HydrophobicContact CB-CD1 4.01Å; P302-L305 HydrophobicContact CB-CG 4.24Å; P302-L305 HydrophobicContact CG-CD1 4.48Å; P302-L305 PolarHBondContact O-N 3.22Å; P302-M306 PolarHBondContact O-N 3.13Å; P302-V326 HydrophobicContact CG-CG1 4.24Å; P302-A329 HydrophobicContact CB-CB 4.39Å; P302-A329 HydrophobicContact CG-CB 4.1Å; P302-L330 HydrophobicContact CG-CD2 4.4Å; P302-L330 HydrophobicContact CG-CG 4.15Å
303	F	80.8	Confident	83.3	Confident	3 Å²	3	32.8 Å²	32.8	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-54.3	-32.5	-172.7	-82.2	-49.2	0	0	0	114.2	F240 F243 F280 S285 L301 M306 T307	F240-F303 HydrophobicContact CD1-CD2 4.17Å; F240-F303 HydrophobicContact CD1-CE1 4.07Å; F240-F303 AromaticContact CD1-CE2 3.47Å; F240-F303 HydrophobicContact CD1-CE2 3.47Å; F240-F303 VanDerWaalsContact CD1-CE2 3.47Å; F240-F303 AromaticContact CD1-CZ 3.4Å; F240-F303 HydrophobicContact CD1-CZ 3.4Å; F240-F303 VanDerWaalsContact CD1-CZ 3.4Å; F240-F303 AromaticContact CE1-CD2 3.58Å; F240-F303 HydrophobicContact CE1-CD2 3.58Å; F240-F303 HydrophobicContact CE1-CE1 4.42Å; F240-F303 AromaticContact CE1-CE2 3.21Å; F240-F303 HydrophobicContact CE1-CE2 3.21Å; F240-F303 HydrophobicContact CE1-CG 4.36Å; F240-F303 AromaticContact CE1-CZ 3.69Å; F240-F303 HydrophobicContact CE1-CZ 3.69Å; F240-F303 HydrophobicContact CG-CZ 4.44Å; F240-F303 HydrophobicContact CZ-CE2 4.2Å; F243-F303 HydrophobicContact CB-CE1 4.35Å; F243-F303 AromaticContact CD2-CD1 3.45Å; F243-F303 HydrophobicContact CD2-CD1 3.45Å; F243-F303 VanDerWaalsContact CD2-CD1 3.45Å; F243-F303 AromaticContact CD2-CE1 3.52Å; F243-F303 HydrophobicContact CD2-CE1 3.52Å; F243-F303 HydrophobicContact CD2-CG 4.4Å; F243-F303 HydrophobicContact CE1-CD1 4.48Å; F243-F303 HydrophobicContact CE2-CB 4.26Å; F243-F303 AromaticContact CE2-CD1 3.31Å; F243-F303 HydrophobicContact CE2-CD1 3.31Å; F243-F303 AromaticContact CE2-CE1 3.91Å; F243-F303 HydrophobicContact CE2-CE1 3.91Å; F243-F303 HydrophobicContact CE2-CG 4.07Å; F243-F303 HydrophobicContact CG-CD1 4.12Å; F243-F303 AromaticContact CG-CE1 3.88Å; F243-F303 HydrophobicContact CG-CE1 3.88Å; F243-F303 AromaticContact CZ-CD1 3.87Å; F243-F303 HydrophobicContact CZ-CD1 3.87Å; F280-F303 AromaticContact CD1-CZ 3.76Å; F280-F303 HydrophobicContact CD1-CZ 3.76Å; F280-F303 HydrophobicContact CE1-CE1 4.34Å; F280-F303 AromaticContact CE1-CZ 3.78Å; F280-F303 HydrophobicContact CE1-CZ 3.78Å; S285-F303 VanDerWaalsContact CB-CD2 3.42Å; L301-F303 HydrophobicContact CB-CD1 4.37Å; L301-F303 HydrophobicContact CB-CE1 4.24Å; L301-F303 HydrophobicContact CB-CE2 4.42Å; L301-F303 HydrophobicContact CB-CZ 4.25Å; L301-F303 HydrophobicContact CD1-CE1 3.77Å; L301-F303 HydrophobicContact CD1-CE2 4.44Å; L301-F303 HydrophobicContact CD1-CZ 3.64Å; L301-F303 PolarHBondContact O-N 2.81Å; F303-M306 HydrophobicContact CD1-SD 4.23Å; F303-M306 PolarHBondContact O-N 2.87Å; F303-T307 WeakPolarHBondContact O-CB 3.31Å; F303-T307 PolarHBondContact O-N 3.41Å; F303-T307 PolarHBondContact O-OG1 3.27Å
304	D	80.6	Confident	82.2	Confident	112 Å²	112	34.5 Å²	34.5	60%	0.599	18%	0.181	S	C	*	.	H	α-helix	trans	-69	-39.2	177.7	-62.5	-26.6	0	0	0	111.9	P302 K308	P302-D304 PolarHBondContact O-N 2.88Å; P302-D304 VanDerWaalsContact O-N 3.09Å; D304-K308 VanDerWaalsContact O-CG 3.29Å; D304-K308 WeakPolarHBondContact O-CG 3.22Å; D304-K308 PolarHBondContact O-N 3.28Å; D304-K308 VanDerWaalsContact O-N 3.09Å
305	L	82	Confident	81.2	Confident	55 Å²	55	37.8 Å²	37.8	29%	0.288	20%	0.204	S	C	.	.	H	α-helix	trans	-70.3	-41.5	173.7	-60.2	-178.9	0	0	0	110.7	P302 T307 K308 A309 V325 V326 A329	P302-L305 HydrophobicContact CB-CB 4.21Å; P302-L305 HydrophobicContact CB-CD1 4.01Å; P302-L305 HydrophobicContact CB-CG 4.24Å; P302-L305 HydrophobicContact CG-CD1 4.48Å; P302-L305 PolarHBondContact O-N 3.22Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.24Å; L305-K308 PolarHBondContact O-N 3.24Å; L305-A309 WeakPolarHBondContact O-CB 3.44Å; L305-A309 PolarHBondContact O-N 2.87Å; L305-V325 HydrophobicContact CD1-CG1 4.45Å; L305-V326 HydrophobicContact CB-CG2 3.73Å; L305-A329 HydrophobicContact CD1-CB 3.49Å; L305-A329 VanDerWaalsContact CD1-CB 3.49Å
306	M	82.1	Confident	79.7	Confident	2 Å²	2	40 Å²	40	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-39.4	174.7	-70.6	174.2	168.7	0	0	112.2	F243 L255 L265 L266 L301 P302 F303 A309 A310 V326 L330	F243-M306 HydrophobicContact CE1-CB 3.87Å; F243-M306 HydrophobicContact CZ-CB 3.79Å; L255-M306 HydrophobicContact CD2-CE 4.14Å; L255-M306 HydrophobicContact CD2-SD 3.64Å; L265-M306 HydrophobicContact CD1-CB 4.37Å; L266-M306 HydrophobicContact CD1-CE 3.86Å; L301-M306 HydrophobicContact CB-CE 4.24Å; L301-M306 HydrophobicContact CB-SD 4.09Å; L301-M306 HydrophobicContact CD2-CE 3.88Å; P302-M306 PolarHBondContact O-N 3.13Å; F303-M306 HydrophobicContact CD1-SD 4.23Å; F303-M306 PolarHBondContact O-N 2.87Å; M306-A309 PolarHBondContact O-N 3.13Å; M306-A310 VanDerWaalsContact O-CB 3.28Å; M306-A310 WeakPolarHBondContact O-CB 3.31Å; M306-A310 PolarHBondContact O-N 2.83Å; M306-V326 HydrophobicContact CE-CG1 3.84Å; M306-V326 HydrophobicContact CG-CG1 3.64Å; M306-V326 HydrophobicContact CG-CG2 4.37Å; M306-L330 HydrophobicContact CE-CD1 3.95Å; M306-L330 HydrophobicContact CE-CD2 4.38Å
307	T	81.2	Confident	78	Confident	43 Å²	43	44 Å²	44	26%	0.264	26%	0.259	S	S	.	.	H	α-helix	trans	-67.7	-40	176.8	-56.2	0	0	0	0	111.2	F243 F303 L305 T311	F243-T307 WeakPolarHBondContact CZ-OG1 3.36Å; F303-T307 WeakPolarHBondContact O-CB 3.31Å; F303-T307 PolarHBondContact O-N 3.41Å; F303-T307 PolarHBondContact O-OG1 3.27Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.24Å; T307-T311 WeakPolarHBondContact O-CB 3.18Å; T307-T311 PolarHBondContact O-N 2.85Å; T307-T311 PolarHBondContact O-OG1 2.94Å
308	K	81.1	Confident	76.2	Confident	136 Å²	136	46.5 Å²	46.5	59%	0.591	28%	0.275	S	S	*	.	H	α-helix	trans	-62.7	-49.7	172.9	-72.5	168.3	-176.5	176.2	0	111.2	D304 L305 A310 T311 S312	D304-K308 VanDerWaalsContact O-CG 3.29Å; D304-K308 WeakPolarHBondContact O-CG 3.22Å; D304-K308 PolarHBondContact O-N 3.28Å; D304-K308 VanDerWaalsContact O-N 3.09Å; L305-K308 PolarHBondContact O-N 3.24Å; K308-A310 PolarHBondContact O-N 3.02Å; K308-T311 WeakPolarHBondContact O-CA 3.4Å; K308-T311 WeakPolarHBondContact O-CB 2.92Å; K308-T311 PolarHBondContact O-N 2.75Å; K308-S312 PolarHBondContact O-N 2.77Å; K308-S312 PolarHBondContact O-OG 3.07Å
309	A	78.9	Confident	74.6	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-44.4	178.3	0	0	0	0	0	112.4	L305 M306 T311 S312 L313 A322 L323 V326	L305-A309 WeakPolarHBondContact O-CB 3.44Å; L305-A309 PolarHBondContact O-N 2.87Å; M306-A309 PolarHBondContact O-N 3.13Å; A309-T311 VanDerWaalsContact C-N 3.3Å; A309-T311 PolarHBondContact O-N 2.77Å; A309-S312 WeakPolarHBondContact O-CB 3.43Å; A309-S312 PolarHBondContact O-N 3.21Å; A309-L313 WeakPolarHBondContact O-CG 3.11Å; A309-L313 PolarHBondContact O-N 3.12Å; A309-A322 HydrophobicContact CB-CB 3.85Å; A309-L323 HydrophobicContact CB-CD2 4.26Å; A309-V326 HydrophobicContact CB-CG2 3.89Å
310	A	76.1	Confident	73.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-38.9	173.1	0	0	0	0	0	112.7	I257 L265 M306 K308 L313 T314	I257-A310 HydrophobicContact CB-CB 4.07Å; I257-A310 HydrophobicContact CD1-CB 3.68Å; I257-A310 HydrophobicContact CG1-CB 3.71Å; I257-A310 HydrophobicContact CG2-CB 4.16Å; L265-A310 HydrophobicContact CD1-CB 4.28Å; L265-A310 HydrophobicContact CD2-CB 4.4Å; M306-A310 VanDerWaalsContact O-CB 3.28Å; M306-A310 WeakPolarHBondContact O-CB 3.31Å; M306-A310 PolarHBondContact O-N 2.83Å; K308-A310 PolarHBondContact O-N 3.02Å; A310-L313 WeakPolarHBondContact O-CB 3.36Å; A310-L313 PolarHBondContact O-N 3.04Å; A310-T314 WeakPolarHBondContact O-CG2 3.32Å; A310-T314 PolarHBondContact O-N 2.92Å; A310-T314 PolarHBondContact O-OG1 2.84Å
311	T	77.2	Confident	72.6	Confident	68 Å²	68	48.2 Å²	48.2	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-44.3	175.9	-53.7	0	0	0	0	110.9	T307 K308 A309 L313 T314 S315	T307-T311 WeakPolarHBondContact O-CB 3.18Å; T307-T311 PolarHBondContact O-N 2.85Å; T307-T311 PolarHBondContact O-OG1 2.94Å; K308-T311 WeakPolarHBondContact O-CA 3.4Å; K308-T311 WeakPolarHBondContact O-CB 2.92Å; K308-T311 PolarHBondContact O-N 2.75Å; A309-T311 VanDerWaalsContact C-N 3.3Å; A309-T311 PolarHBondContact O-N 2.77Å; T311-L313 VanDerWaalsContact C-N 3.33Å; T311-L313 PolarHBondContact O-N 3.24Å; T311-T314 WeakPolarHBondContact CA-OG1 3.49Å; T311-T314 PolarHBondContact O-N 3.47Å; T311-T314 VanDerWaalsContact O-N 3.15Å; T311-T314 PolarHBondContact O-OG1 3.43Å; T311-S315 PolarHBondContact O-N 3Å; T311-S315 PolarHBondContact O-OG 2.76Å
312	S	73.8	Confident	72	Confident	30 Å²	30	49 Å²	49	21%	0.21	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-36	173.7	-66.6	0	0	0	0	113.9	K308 A309 S315 G316 S317 T318	K308-S312 PolarHBondContact O-N 2.77Å; K308-S312 PolarHBondContact O-OG 3.07Å; A309-S312 WeakPolarHBondContact O-CB 3.43Å; A309-S312 PolarHBondContact O-N 3.21Å; S312-S315 PolarHBondContact O-OG 2.96Å; S312-G316 PolarHBondContact O-N 3.24Å; S312-S317 PolarHBondContact O-N 3.01Å; S312-T318 WeakPolarHBondContact CB-OG1 3.31Å; S312-T318 PolarHBondContact OG-OG1 3.32Å
313	L	69	Low	71.5	Confident	32 Å²	32	48.7 Å²	48.7	17%	0.168	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-44	172.4	-71.4	169.4	0	0	0	111	L265 A309 A310 T311 S315 G316 L323 N386	L265-L313 HydrophobicContact CD2-CD1 3.68Å; A309-L313 WeakPolarHBondContact O-CG 3.11Å; A309-L313 PolarHBondContact O-N 3.12Å; A310-L313 WeakPolarHBondContact O-CB 3.36Å; A310-L313 PolarHBondContact O-N 3.04Å; T311-L313 VanDerWaalsContact C-N 3.33Å; T311-L313 PolarHBondContact O-N 3.24Å; L313-S315 VanDerWaalsContact C-N 3.34Å; L313-S315 PolarHBondContact O-N 2.83Å; L313-G316 PolarHBondContact O-N 2.88Å; L313-L323 HydrophobicContact CD1-CD1 4.37Å; L313-L323 HydrophobicContact CD1-CD2 4.33Å; L313-L323 HydrophobicContact CD1-CG 4.5Å; L313-N386 WeakPolarHBondContact CD2-ND2 3.17Å
314	T	66.6	Low	71.3	Confident	74 Å²	74	53.5 Å²	53.5	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-69.6	-26.9	177.7	58	0	0	0	0	114.2	D259 A310 T311	D259-T314 HydrophobicContact CB-CG2 3.87Å; D259-T314 WeakPolarHBondContact OD2-CG2 3.46Å; A310-T314 WeakPolarHBondContact O-CG2 3.32Å; A310-T314 PolarHBondContact O-N 2.92Å; A310-T314 PolarHBondContact O-OG1 2.84Å; T311-T314 WeakPolarHBondContact CA-OG1 3.49Å; T311-T314 PolarHBondContact O-N 3.47Å; T311-T314 VanDerWaalsContact O-N 3.15Å; T311-T314 PolarHBondContact O-OG1 3.43Å
315	S	67	Low	71.2	Confident	69 Å²	69	52.1 Å²	52.1	48%	0.483	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.1	176.8	71	0	0	0	0	113.8	T311 S312 L313 S317	T311-S315 PolarHBondContact O-N 3Å; T311-S315 PolarHBondContact O-OG 2.76Å; S312-S315 PolarHBondContact O-OG 2.96Å; L313-S315 VanDerWaalsContact C-N 3.34Å; L313-S315 PolarHBondContact O-N 2.83Å; S315-S317 WeakPolarHBondContact CB-OG 3.25Å; S315-S317 PolarHBondContact O-N 3.05Å; S315-S317 VanDerWaalsContact O-N 3.12Å; S315-S317 PolarHBondContact O-OG 2.86Å; S315-S317 WeakPolarHBondContact OG-CB 3.49Å; S315-S317 PolarHBondContact OG-OG 2.91Å
316	G	61.5	Low	70.9	Confident	67 Å²	67	49.6 Å²	49.6	69%	0.691	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	13.9	-178.4	0	0	0	0	0	114.8	S312 L313	S312-G316 PolarHBondContact O-N 3.24Å; L313-G316 PolarHBondContact O-N 2.88Å
317	S	56.8	Low	70.6	Confident	85 Å²	85	51 Å²	51	59%	0.594	34%	0.335	S	S	*	.	S	Bend	trans	-91.2	-30.7	-162.6	-44.2	0	0	0	0	114.1	S312 S315	S312-S317 PolarHBondContact O-N 3.01Å; S315-S317 WeakPolarHBondContact CB-OG 3.25Å; S315-S317 PolarHBondContact O-N 3.05Å; S315-S317 VanDerWaalsContact O-N 3.12Å; S315-S317 PolarHBondContact O-OG 2.86Å; S315-S317 WeakPolarHBondContact OG-CB 3.49Å; S315-S317 PolarHBondContact OG-OG 2.91Å
318	T	54.3	Low	70.4	Confident	66 Å²	66	52.8 Å²	52.8	41%	0.405	35%	0.349	S	S	.	.			trans	-153.1	100.9	176.6	44.5	0	0	0	0	109.5	S312	S312-T318 WeakPolarHBondContact CB-OG1 3.31Å; S312-T318 PolarHBondContact OG-OG1 3.32Å
319	S	56.4	Low	70.3	Confident	64 Å²	64	47.4 Å²	47.4	45%	0.448	33%	0.33	S	S	.	.	S	Bend	trans	-85.3	-41.3	-166.6	79.9	0	0	0	0	113.9	N386	S319-N386 VanDerWaalsContact C-OD1 3.31Å; S319-N386 WeakPolarHBondContact CB-ND2 3.38Å; S319-N386 WeakPolarHBondContact CB-OD1 3.37Å; S319-N386 VanDerWaalsContact O-CG 3.28Å; S319-N386 PolarHBondContact O-ND2 2.83Å; S319-N386 PolarHBondContact O-OD1 2.98Å; S319-N386 PolarHBondContact OG-OD1 3.26Å
320	G	63.2	Low	70.1	Confident	25 Å²	25	47.9 Å²	47.9	26%	0.258	33%	0.333	S	S	.	.	S	Bend	trans	-91	-56.8	175.8	0	0	0	0	0	114	A322 L323 D324	G320-A322 PolarHBondContact O-N 2.83Å; G320-L323 WeakPolarHBondContact O-CA 3.25Å; G320-L323 WeakPolarHBondContact O-CB 3.47Å; G320-L323 PolarHBondContact O-N 3.21Å; G320-D324 PolarHBondContact O-N 2.9Å
321	A	69.6	Low	69.8	Low	59 Å²	59	50.4 Å²	50.4	49%	0.488	35%	0.353	S	S	.	.	H	α-helix	trans	-53.1	-30.8	-167.8	0	0	0	0	0	115.7	D324 V325	A321-D324 WeakPolarHBondContact CA-OD2 3.23Å; A321-D324 PolarHBondContact N-OD2 2.96Å; A321-V325 WeakPolarHBondContact O-CG2 3.36Å; A321-V325 PolarHBondContact O-N 3.33Å
322	A	70.8	Confident	69	Low	19 Å²	19	51 Å²	51	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-75.8	-32.5	177.4	0	0	0	0	0	112.8	A309 G320 V326	A309-A322 HydrophobicContact CB-CB 3.85Å; G320-A322 PolarHBondContact O-N 2.83Å; A322-V326 WeakPolarHBondContact O-CG2 3.36Å; A322-V326 PolarHBondContact O-N 3.26Å
323	L	71.9	Confident	68.3	Low	11 Å²	11	52 Å²	52	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-71.3	-36.6	170.2	-67.6	172.6	0	0	0	110.8	L265 A309 L313 G320 V325 V326 A327 N386 I389	L265-L323 HydrophobicContact CD2-CD2 4.24Å; A309-L323 HydrophobicContact CB-CD2 4.26Å; L313-L323 HydrophobicContact CD1-CD1 4.37Å; L313-L323 HydrophobicContact CD1-CD2 4.33Å; L313-L323 HydrophobicContact CD1-CG 4.5Å; G320-L323 WeakPolarHBondContact O-CA 3.25Å; G320-L323 WeakPolarHBondContact O-CB 3.47Å; G320-L323 PolarHBondContact O-N 3.21Å; L323-V325 VanDerWaalsContact C-N 3.31Å; L323-V325 PolarHBondContact O-N 2.92Å; L323-V326 CarbonylContact O-C 3.49Å; L323-V326 WeakPolarHBondContact O-CB 3.42Å; L323-V326 PolarHBondContact O-N 3.36Å; L323-V326 VanDerWaalsContact O-N 3.1Å; L323-A327 WeakPolarHBondContact O-CB 3.28Å; L323-A327 PolarHBondContact O-N 3.16Å; L323-N386 HydrophobicContact CD1-CB 4.16Å; L323-I389 HydrophobicContact CB-CD1 4.2Å; L323-I389 HydrophobicContact CB-CG1 4.16Å; L323-I389 HydrophobicContact CD2-CD1 4.02Å; L323-I389 HydrophobicContact CD2-CG1 4.29Å; L323-I389 WeakPolarHBondContact O-CD1 3.32Å
324	D	77.1	Confident	67.5	Low	104 Å²	104	53 Å²	53	56%	0.556	37%	0.369	S	S	*	.	H	α-helix	trans	-61.2	-39	175.5	-59.4	-40.4	0	0	0	112.1	G320 A321 A327 S328	G320-D324 PolarHBondContact O-N 2.9Å; A321-D324 WeakPolarHBondContact CA-OD2 3.23Å; A321-D324 PolarHBondContact N-OD2 2.96Å; D324-A327 PolarHBondContact O-N 3.31Å; D324-S328 WeakPolarHBondContact O-CB 3.29Å; D324-S328 PolarHBondContact O-N 3.35Å
325	V	78.7	Confident	66.1	Low	84 Å²	84	53.7 Å²	53.7	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-40	173.1	169.7	0	0	0	0	111.8	L305 A321 L323 A329	L305-V325 HydrophobicContact CD1-CG1 4.45Å; A321-V325 WeakPolarHBondContact O-CG2 3.36Å; A321-V325 PolarHBondContact O-N 3.33Å; L323-V325 VanDerWaalsContact C-N 3.31Å; L323-V325 PolarHBondContact O-N 2.92Å; V325-A329 WeakPolarHBondContact O-CB 3.45Å; V325-A329 PolarHBondContact O-N 3.2Å
326	V	75.9	Confident	64.6	Low	2 Å²	2	53.4 Å²	53.4	1%	0.012	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-41.3	175.3	174.3	0	0	0	0	111	P302 L305 M306 A309 A322 L323 A329 L330 I389	P302-V326 HydrophobicContact CG-CG1 4.24Å; L305-V326 HydrophobicContact CB-CG2 3.73Å; M306-V326 HydrophobicContact CE-CG1 3.84Å; M306-V326 HydrophobicContact CG-CG1 3.64Å; M306-V326 HydrophobicContact CG-CG2 4.37Å; A309-V326 HydrophobicContact CB-CG2 3.89Å; A322-V326 WeakPolarHBondContact O-CG2 3.36Å; A322-V326 PolarHBondContact O-N 3.26Å; L323-V326 CarbonylContact O-C 3.49Å; L323-V326 WeakPolarHBondContact O-CB 3.42Å; L323-V326 PolarHBondContact O-N 3.36Å; L323-V326 VanDerWaalsContact O-N 3.1Å; V326-A329 PolarHBondContact O-N 2.84Å; V326-L330 HydrophobicContact CG1-CD1 3.9Å; V326-L330 WeakPolarHBondContact O-CD1 3.28Å; V326-L330 WeakPolarHBondContact O-CG 3.44Å; V326-L330 PolarHBondContact O-N 3.46Å; V326-I389 HydrophobicContact CB-CD1 3.57Å; V326-I389 HydrophobicContact CG1-CD1 3.38Å
327	A	76.4	Confident	63.2	Low	31 Å²	31	52.7 Å²	52.7	26%	0.256	37%	0.373	S	S	.	.	H	α-helix	trans	-63.6	-43.2	176.9	0	0	0	0	0	111.5	L323 D324 L330 A331 I389	L323-A327 WeakPolarHBondContact O-CB 3.28Å; L323-A327 PolarHBondContact O-N 3.16Å; D324-A327 PolarHBondContact O-N 3.31Å; A327-L330 PolarHBondContact O-N 3.07Å; A327-A331 WeakPolarHBondContact O-CB 3.48Å; A327-A331 PolarHBondContact O-N 2.77Å; A327-I389 HydrophobicContact CB-CD1 4.31Å; A327-I389 HydrophobicContact CB-CG1 4.26Å; A327-I389 HydrophobicContact CB-CG2 3.73Å
328	S	76.5	Confident	62	Low	80 Å²	80	53.4 Å²	53.4	56%	0.559	38%	0.378	S	S	*	.	H	α-helix	trans	-61.1	-42.4	173.8	-177.2	0	0	0	0	112.1	D324 A331 S332	D324-S328 WeakPolarHBondContact O-CB 3.29Å; D324-S328 PolarHBondContact O-N 3.35Å; S328-A331 PolarHBondContact O-N 2.86Å; S328-S332 WeakPolarHBondContact O-CB 3.37Å; S328-S332 PolarHBondContact O-N 2.9Å
329	A	78.3	Confident	61	Low	24 Å²	24	54.6 Å²	54.6	20%	0.198	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-45.4	175.2	0	0	0	0	0	112.5	P302 L305 V325 V326 A331 S332 E333	P302-A329 HydrophobicContact CB-CB 4.39Å; P302-A329 HydrophobicContact CG-CB 4.1Å; L305-A329 HydrophobicContact CD1-CB 3.49Å; L305-A329 VanDerWaalsContact CD1-CB 3.49Å; V325-A329 WeakPolarHBondContact O-CB 3.45Å; V325-A329 PolarHBondContact O-N 3.2Å; V326-A329 PolarHBondContact O-N 2.84Å; A329-A331 PolarHBondContact O-N 3.09Å; A329-S332 PolarHBondContact O-N 2.95Å; A329-E333 WeakPolarHBondContact O-CG 3.36Å; A329-E333 PolarHBondContact O-N 2.84Å
330	L	74.8	Confident	59.9	Low	12 Å²	12	56 Å²	56	6%	0.063	39%	0.387	C	S	.	.	H	α-helix	trans	-61	-41.4	175.6	-75	160.3	0	0	0	112.4	L266 R300 L301 P302 M306 V326 A327 E333 T334 I389 V391	L266-L330 HydrophobicContact CD1-CD1 3.81Å; R300-L330 VanDerWaalsContact O-CD2 3.27Å; R300-L330 WeakPolarHBondContact O-CD2 3.31Å; L301-L330 HydrophobicContact CD2-CD2 4.35Å; P302-L330 HydrophobicContact CG-CD2 4.4Å; P302-L330 HydrophobicContact CG-CG 4.15Å; M306-L330 HydrophobicContact CE-CD1 3.95Å; M306-L330 HydrophobicContact CE-CD2 4.38Å; V326-L330 HydrophobicContact CG1-CD1 3.9Å; V326-L330 WeakPolarHBondContact O-CD1 3.28Å; V326-L330 WeakPolarHBondContact O-CG 3.44Å; V326-L330 PolarHBondContact O-N 3.46Å; A327-L330 PolarHBondContact O-N 3.07Å; L330-E333 PolarHBondContact O-N 3.14Å; L330-T334 PolarHBondContact O-N 3.1Å; L330-T334 VanDerWaalsContact O-N 3.1Å; L330-T334 PolarHBondContact O-OG1 2.86Å; L330-I389 HydrophobicContact CD1-CG2 4.1Å; L330-V391 HydrophobicContact CD1-CG2 4Å
331	A	68.8	Low	58.1	Low	53 Å²	53	58 Å²	58	44%	0.438	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-39.8	175.2	0	0	0	0	0	111.9	A327 S328 A329 T334 A335	A327-A331 WeakPolarHBondContact O-CB 3.48Å; A327-A331 PolarHBondContact O-N 2.77Å; S328-A331 PolarHBondContact O-N 2.86Å; A329-A331 PolarHBondContact O-N 3.09Å; A331-T334 WeakPolarHBondContact CA-OG1 3.36Å; A331-T334 PolarHBondContact O-N 2.9Å; A331-T334 PolarHBondContact O-OG1 3.21Å; A331-A335 WeakPolarHBondContact O-CB 3.45Å; A331-A335 PolarHBondContact O-N 2.91Å
332	S	61.8	Low	56.4	Low	80 Å²	80	57.8 Å²	57.8	56%	0.559	40%	0.398	S	S	*	.	H	α-helix	trans	-66.9	-35.5	175.1	-173.1	0	0	0	0	112.4	S328 A329 G336	S328-S332 WeakPolarHBondContact O-CB 3.37Å; S328-S332 PolarHBondContact O-N 2.9Å; A329-S332 PolarHBondContact O-N 2.95Å; S332-G336 WeakPolarHBondContact O-CA 3.19Å; S332-G336 PolarHBondContact O-N 2.9Å
333	E	58.3	Low	54.2	Low	52 Å²	52	60 Å²	60	24%	0.243	42%	0.422	C	S	.	.	H	α-helix	trans	-69	-34	174.3	-74.2	-170.4	146.2	0	0	111.7	R300 A329 L330 T337	R300-E333 WeakPolarHBondContact CB-OE2 3.26Å; R300-E333 VanDerWaalsContact CD-CD 3.44Å; R300-E333 WeakPolarHBondContact CD-OE1 3.49Å; R300-E333 VanDerWaalsContact CG-OE2 3.27Å; R300-E333 WeakPolarHBondContact CG-OE2 3.46Å; R300-E333 IonicContact CZ-OE1 3.97Å; R300-E333 IonicContact NE-OE1 2.84Å; R300-E333 PolarHBondContact NE-OE1 3.07Å; A329-E333 WeakPolarHBondContact O-CG 3.36Å; A329-E333 PolarHBondContact O-N 2.84Å; L330-E333 PolarHBondContact O-N 3.14Å; E333-T337 WeakPolarHBondContact O-CG2 3.27Å; E333-T337 PolarHBondContact O-OG1 3.35Å
334	T	51.7	Low	52.1	Low	51 Å²	51	66 Å²	66	31%	0.313	45%	0.452	S	S	.	.	H	α-helix	trans	-78.6	-28.5	175.2	28.5	0	0	0	0	114	L330 A331 H393	L330-T334 PolarHBondContact O-N 3.1Å; L330-T334 VanDerWaalsContact O-N 3.1Å; L330-T334 PolarHBondContact O-OG1 2.86Å; A331-T334 WeakPolarHBondContact CA-OG1 3.36Å; A331-T334 PolarHBondContact O-N 2.9Å; A331-T334 PolarHBondContact O-OG1 3.21Å; T334-H393 HydrophobicContact CG2-CB 4.06Å
335	A	38.5	Very low	49.8	Very low	89 Å²	89	66 Å²	66	74%	0.736	46%	0.46	S	S	*	.	H	α-helix	trans	-87.4	-27.6	177	0	0	0	0	0	113.8	A331	A331-A335 WeakPolarHBondContact O-CB 3.45Å; A331-A335 PolarHBondContact O-N 2.91Å
336	G	34.2	Very low	47.3	Very low	63 Å²	63	68 Å²	68	65%	0.649	47%	0.473	S	S	*	.	H	α-helix	trans	-90.8	-16.4	-171.3	0	0	0	0	0	115.4	S332	S332-G336 WeakPolarHBondContact O-CA 3.19Å; S332-G336 PolarHBondContact O-N 2.9Å
337	T	34	Very low	45	Very low	53 Å²	53	73.9 Å²	73.9	33%	0.325	50%	0.503	S	S	.	.			trans	-89.7	113.7	176.5	56.6	0	0	0	0	110.5	E333	E333-T337 WeakPolarHBondContact O-CG2 3.27Å; E333-T337 PolarHBondContact O-OG1 3.35Å
338	S	29.8	Very low	42.6	Very low	100 Å²	100	77.4 Å²	77.4	70%	0.699	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-50.2	130.5	149.3	24.7	0	0	0	0	107.7	M340	S338-M340 PolarHBondContact O-N 3.03Å
339	P	33.4	Very low	40.2	Very low	90 Å²	90	76.4 Å²	76.4	58%	0.584	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-58.4	120.3	-177.4	24.1	-33.4	0	0	0	107.8	G341 L342	P339-G341 WeakPolarHBondContact O-CA 3.38Å; P339-G341 PolarHBondContact O-N 2.85Å; P339-L342 HydrophobicContact CB-CB 4.47Å; P339-L342 PolarHBondContact O-N 3.04Å
340	M	34	Very low	37.6	Very low	94 Å²	94	80.4 Å²	80.4	46%	0.463	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.6	119.1	-172.9	-69.9	-145.2	-67.1	0	0	109.3	S338 L342 L454 A455	S338-M340 PolarHBondContact O-N 3.03Å; M340-L342 WeakPolarHBondContact O-CA 3.48Å; M340-L342 VanDerWaalsContact O-CB 3.22Å; M340-L342 WeakPolarHBondContact O-CB 3.43Å; M340-L342 WeakPolarHBondContact O-CG 3.17Å; M340-L342 PolarHBondContact O-N 2.89Å; M340-L454 VanDerWaalsContact CE-O 3.27Å; M340-L454 WeakPolarHBondContact CE-O 3.48Å; M340-A455 CarbonylContact C-O 3.56Å; M340-A455 WeakPolarHBondContact CB-O 3.35Å; M340-A455 VanDerWaalsContact O-O 3.08Å
341	G	26.4	Very low	35.2	Very low	68 Å²	68	85 Å²	85	70%	0.701	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-19.8	67.4	-148.6	0	0	0	0	0	118.3	P339 G343	P339-G341 WeakPolarHBondContact O-CA 3.38Å; P339-G341 PolarHBondContact O-N 2.85Å; G341-G343 PolarHBondContact O-N 2.97Å
342	L	33	Very low	33.1	Very low	53 Å²	53	87.5 Å²	87.5	28%	0.277	60%	0.599	S	S	.	*			trans	-97.5	85.3	-165.4	-116.5	165.8	0	0	0	111.9	P339 M340 M344 T456	P339-L342 HydrophobicContact CB-CB 4.47Å; P339-L342 PolarHBondContact O-N 3.04Å; M340-L342 WeakPolarHBondContact O-CA 3.48Å; M340-L342 VanDerWaalsContact O-CB 3.22Å; M340-L342 WeakPolarHBondContact O-CB 3.43Å; M340-L342 WeakPolarHBondContact O-CG 3.17Å; M340-L342 PolarHBondContact O-N 2.89Å; L342-M344 HydrophobicContact CD2-CB 4.41Å; L342-M344 PolarHBondContact O-N 3.44Å; L342-T456 WeakPolarHBondContact CD2-O 3.21Å; L342-T456 VanDerWaalsContact CG-O 3.31Å; L342-T456 WeakPolarHBondContact CG-O 3.45Å
343	G	25.1	Very low	31.2	Very low	65 Å²	65	93.4 Å²	93.4	67%	0.67	62%	0.615	S	S	*	*			trans	-69	66.7	167.2	0	0	0	0	0	112.5	G341	G341-G343 PolarHBondContact O-N 2.97Å
344	M	27.9	Very low	29.7	Very low	138 Å²	138	95 Å²	95	68%	0.68	63%	0.632	S	S	*	*	S	Bend	trans	-127.7	130.5	157.7	-97.1	-68.8	174.5	0	0	106.6	L342 T346	L342-M344 HydrophobicContact CD2-CB 4.41Å; L342-M344 PolarHBondContact O-N 3.44Å; M344-T346 PolarHBondContact O-N 3.43Å
345	S	27.4	Very low	28.4	Very low	104 Å²	104	96.4 Å²	96.4	73%	0.727	66%	0.656	S	S	*	*			trans	-54.4	117	-172.7	53.5	0	0	0	0	110.3	I347	S345-I347 PolarHBondContact O-N 3Å
346	T	26.4	Very low	28	Very low	126 Å²	126	98.8 Å²	98.8	77%	0.773	66%	0.655	S	S	*	*			trans	-47.6	116.3	147.1	34	0	0	0	0	105.9	M344 S348	M344-T346 PolarHBondContact O-N 3.43Å; T346-S348 PolarHBondContact O-N 2.97Å
347	I	28.7	Very low	27.5	Very low	125 Å²	125	102.3 Å²	102.3	64%	0.641	66%	0.659	S	S	*	*			trans	-61.6	100.6	160.1	-67.4	177.8	0	0	0	103.4	S345 G349 N421	S345-I347 PolarHBondContact O-N 3Å; I347-G349 PolarHBondContact O-N 3.32Å; I347-N421 HydrophobicContact CD1-CB 4.34Å
348	S	25.2	Very low	27.1	Very low	106 Å²	106	106.8 Å²	106.8	74%	0.741	69%	0.689	S	S	*	*			trans	-71.5	55.7	168.5	62.3	0	0	0	0	108.5	T346 T350	T346-S348 PolarHBondContact O-N 2.97Å; S348-T350 VanDerWaalsContact C-N 3.27Å; S348-T350 PolarHBondContact O-N 3.28Å
349	G	25.9	Very low	26.9	Very low	58 Å²	58	105.3 Å²	105.3	60%	0.598	69%	0.69	S	S	*	*			trans	-57.6	106.4	147.7	0	0	0	0	0	104	I347 A351	I347-G349 PolarHBondContact O-N 3.32Å; G349-A351 PolarHBondContact O-N 3.02Å
350	T	24.1	Very low	26.6	Very low	109 Å²	109	103.4 Å²	103.4	67%	0.669	69%	0.686	S	S	*	*			trans	-40.1	137.3	-179.4	38.4	0	0	0	0	110.3	S348 V352	S348-T350 VanDerWaalsContact C-N 3.27Å; S348-T350 PolarHBondContact O-N 3.28Å; T350-V352 PolarHBondContact O-N 3.22Å; T350-V352 WeakPolarHBondContact OG1-CG2 3.48Å
351	A	24.7	Very low	26.1	Very low	109 Å²	109	107.8 Å²	107.8	90%	0.901	71%	0.71	S	S	*	*			trans	-63.3	72.9	153	0	0	0	0	0	108	G349 K353	G349-A351 PolarHBondContact O-N 3.02Å; A351-K353 PolarHBondContact O-N 2.9Å; A351-K353 VanDerWaalsContact O-N 3.16Å
352	V	24.2	Very low	26.3	Very low	104 Å²	104	114.9 Å²	114.9	63%	0.63	72%	0.718	S	S	*	*			trans	-58	120.4	163.5	-174.1	0	0	0	0	103.7	T350 S354	T350-V352 PolarHBondContact O-N 3.22Å; T350-V352 WeakPolarHBondContact OG1-CG2 3.48Å; V352-S354 PolarHBondContact O-N 2.6Å
353	K	23	Very low	26	Very low	204 Å²	204	119 Å²	119	89%	0.887	74%	0.74	S	S	*	*			trans	-56.9	93.8	156.7	-79.5	-179.9	171.5	179.9	0	106	A351 G355	A351-K353 PolarHBondContact O-N 2.9Å; A351-K353 VanDerWaalsContact O-N 3.16Å; K353-G355 PolarHBondContact O-N 2.93Å
354	S	26	Very low	26.2	Very low	86 Å²	86	120.6 Å²	120.6	60%	0.601	74%	0.741	S	S	*	*			trans	-70.9	75.9	168.3	56.8	0	0	0	0	107.2	V352 I356	V352-S354 PolarHBondContact O-N 2.6Å; S354-I356 PolarHBondContact O-N 3.4Å
355	G	23.9	Very low	26.4	Very low	80 Å²	80	118.7 Å²	118.7	83%	0.825	73%	0.733	S	S	*	*			trans	-63.1	84.7	149.7	0	0	0	0	0	106.4	K353	K353-G355 PolarHBondContact O-N 2.93Å
356	I	29.9	Very low	26.9	Very low	139 Å²	139	120 Å²	120	71%	0.713	73%	0.728	S	S	*	*			trans	-124.8	129.6	170.5	-62.8	178.5	0	0	0	103.9	S354	S354-I356 PolarHBondContact O-N 3.4Å
357	D	24.1	Very low	27.4	Very low	137 Å²	137	119.5 Å²	119.5	73%	0.733	73%	0.725	S	S	*	*			trans	-57.7	150.8	-163.8	-61.9	-71.6	0	0	0	113.6	G359	D357-G359 PolarHBondContact O-N 3.17Å
358	P	26.7	Very low	27.6	Very low	148 Å²	148	118.5 Å²	118.5	96%	0.961	72%	0.719	S	S	*	*	S	Bend	trans	-73.5	37	176.1	34.1	-37.7	0	0	0	112.7
359	G	25.5	Very low	27.7	Very low	69 Å²	69	118.4 Å²	118.4	71%	0.711	71%	0.71	S	S	*	*			trans	-151.6	68	-169.5	0	0	0	0	0	112.5	D357	D357-G359 PolarHBondContact O-N 3.17Å
360	G	26.4	Very low	27.9	Very low	49 Å²	49	120.5 Å²	120.5	51%	0.505	71%	0.707	S	S	.	*	S	Bend	trans	-162.1	91.8	176.4	0	0	0	0	0	112.6	Y362	G360-Y362 VanDerWaalsContact O-CD2 3.25Å; G360-Y362 WeakPolarHBondContact O-CD2 3.23Å; G360-Y362 WeakPolarHBondContact O-CE2 3.48Å; G360-Y362 PolarHBondContact O-N 2.96Å
361	L	24.5	Very low	28.2	Very low	186 Å²	186	122.4 Å²	122.4	97%	0.974	71%	0.713	S	S	*	*			trans	22	75.3	169.4	-88.6	72.7	0	0	0	116.3
362	Y	29	Very low	28.3	Very low	217 Å²	217	122.4 Å²	122.4	85%	0.851	70%	0.701	S	S	*	*			trans	-106	117.7	155.7	-69.7	-78	0	0	0	107.9	G360 S364	G360-Y362 VanDerWaalsContact O-CD2 3.25Å; G360-Y362 WeakPolarHBondContact O-CD2 3.23Å; G360-Y362 WeakPolarHBondContact O-CE2 3.48Å; G360-Y362 PolarHBondContact O-N 2.96Å; Y362-S364 PolarHBondContact O-N 2.95Å
363	D	26.5	Very low	28.5	Very low	140 Å²	140	120.3 Å²	120.3	75%	0.749	70%	0.701	S	S	*	*			trans	-70.7	114.7	-178.7	-149.7	-1.2	0	0	0	109	D365	D363-D365 PolarHBondContact O-N 3.41Å
364	S	30.6	Very low	28.5	Very low	99 Å²	99	116 Å²	116	69%	0.692	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	19.8	-162.3	52	0	0	0	0	115	Y362	Y362-S364 PolarHBondContact O-N 2.95Å
365	D	32.3	Very low	28.8	Very low	97 Å²	97	117.6 Å²	117.6	52%	0.519	70%	0.702	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-3	-175.7	-94.1	-3	0	0	0	114.2	D363 T367 N369	D363-D365 PolarHBondContact O-N 3.41Å; D365-T367 PolarHBondContact O-N 2.74Å; D365-T367 VanDerWaalsContact O-N 3.1Å; D365-N369 PolarHBondContact OD1-ND2 2.84Å
366	E	37.1	Very low	29.1	Very low	132 Å²	132	122.8 Å²	122.8	62%	0.617	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-15	179.9	-67.7	-148.1	158.4	0	0	114.3	R392	E366-R392 IonicContact OE2-NH2 3.21Å; E366-R392 PolarHBondContact OE2-NH2 3.12Å
367	T	36.3	Very low	29.1	Very low	116 Å²	116	124.8 Å²	124.8	71%	0.712	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	84.9	175.8	51.2	0	0	0	0	112.3	D365 N369	D365-T367 PolarHBondContact O-N 2.74Å; D365-T367 VanDerWaalsContact O-N 3.1Å; T367-N369 PolarHBondContact O-N 3.41Å
368	M	33.4	Very low	29.5	Very low	104 Å²	104	125.7 Å²	125.7	51%	0.512	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	54.5	27.2	157.8	-100.8	-60.5	-162.4	0	0	117.4	L370 P387 P388	M368-L370 VanDerWaalsContact C-N 3.29Å; M368-L370 PolarHBondContact O-N 2.76Å; M368-P387 HydrophobicContact CB-CB 4.5Å; M368-P387 HydrophobicContact CG-CB 4Å; M368-P388 HydrophobicContact CE-CG 3.98Å
369	N	28.6	Very low	30	Very low	103 Å²	103	122.8 Å²	122.8	55%	0.551	70%	0.699	S	S	*	*			trans	-70.3	92.9	163.4	-88.4	-14.1	0	0	0	109.6	D365 T367 L371	D365-N369 PolarHBondContact OD1-ND2 2.84Å; T367-N369 PolarHBondContact O-N 3.41Å; N369-L371 PolarHBondContact O-N 2.73Å
370	L	29.3	Very low	30.4	Very low	103 Å²	103	125 Å²	125	54%	0.539	70%	0.701	S	S	.	*			trans	4.3	88.7	145.2	-74.9	170.1	0	0	0	114.7	M368 V372 I383	M368-L370 VanDerWaalsContact C-N 3.29Å; M368-L370 PolarHBondContact O-N 2.76Å; L370-V372 HydrophobicContact CB-CG2 4.21Å; L370-V372 PolarHBondContact O-N 3.07Å; L370-I383 HydrophobicContact CD1-CD1 4.42Å; L370-I383 HydrophobicContact CD2-CB 4.24Å; L370-I383 HydrophobicContact CD2-CD1 3.54Å; L370-I383 HydrophobicContact CD2-CG1 3.53Å; L370-I383 HydrophobicContact CD2-CG2 3.73Å
371	L	29.8	Very low	30.9	Very low	149 Å²	149	127.9 Å²	127.9	78%	0.78	71%	0.709	S	S	*	*			trans	-70.2	71.5	160.9	-94.1	162.4	0	0	0	109.1	R231 N369 G373	R231-L371 HydrophobicContact CG-CD1 4.17Å; N369-L371 PolarHBondContact O-N 2.73Å; L371-G373 PolarHBondContact O-N 2.8Å
372	V	27.7	Very low	31.7	Very low	109 Å²	109	127.6 Å²	127.6	66%	0.661	70%	0.695	S	S	*	*			trans	-69	81.6	161	177.5	0	0	0	0	106.3	L370 S374	L370-V372 HydrophobicContact CB-CG2 4.21Å; L370-V372 PolarHBondContact O-N 3.07Å; V372-S374 PolarHBondContact O-N 3.33Å; V372-S374 VanDerWaalsContact O-N 3.1Å
373	G	27.6	Very low	32	Very low	60 Å²	60	122.8 Å²	122.8	62%	0.619	68%	0.682	S	S	*	*			trans	-65.6	103.9	159.2	0	0	0	0	0	107.4	L371 T375	L371-G373 PolarHBondContact O-N 2.8Å; G373-T375 PolarHBondContact O-N 3.15Å
374	S	24.4	Very low	32.8	Very low	112 Å²	112	118 Å²	118	78%	0.783	66%	0.663	S	S	*	*			trans	-68.9	82.9	172.3	57	0	0	0	0	109.8	V372	V372-S374 PolarHBondContact O-N 3.33Å; V372-S374 VanDerWaalsContact O-N 3.1Å
375	T	31.9	Very low	33.5	Very low	120 Å²	120	117.7 Å²	117.7	74%	0.736	67%	0.666	S	S	*	*			trans	-91.9	111.8	157.4	52.9	0	0	0	0	107.3	G373	G373-T375 PolarHBondContact O-N 3.15Å
376	E	28.8	Very low	34.7	Very low	189 Å²	189	114.4 Å²	114.4	88%	0.883	65%	0.648	S	S	*	*	S	Bend	trans	-59.9	139.1	164.3	-62.1	-174.2	146.6	0	0	108.4
377	E	30.5	Very low	35.9	Very low	182 Å²	182	112.2 Å²	112.2	85%	0.85	65%	0.645	S	S	*	*	S	Bend	trans	75.5	142.5	-175.7	-49.1	-171	150.7	0	0	117
378	D	33.4	Very low	37.7	Very low	156 Å²	156	107.5 Å²	107.5	83%	0.834	62%	0.617	S	S	*	*	S	Bend	trans	68.4	89.6	174.3	-76.1	-7.7	0	0	0	122
379	S	36	Very low	39.9	Very low	87 Å²	87	103.3 Å²	103.3	61%	0.608	60%	0.597	S	S	*	*			trans	77.5	136.3	149.5	74.7	0	0	0	0	119.1	V381	S379-V381 PolarHBondContact O-N 3.04Å; S379-V381 VanDerWaalsContact O-N 3.12Å
380	P	33.8	Very low	42.2	Very low	115 Å²	115	101.7 Å²	101.7	75%	0.747	60%	0.597	S	S	*	*			trans	-74.5	106.4	-175	29.8	-34.8	0	0	0	112	R382	P380-R382 PolarHBondContact O-N 3.18Å
381	V	37.7	Very low	44.5	Very low	110 Å²	110	97.5 Å²	97.5	67%	0.667	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-62.9	118.3	166.7	-178.9	0	0	0	0	108.7	S379 I383	S379-V381 PolarHBondContact O-N 3.04Å; S379-V381 VanDerWaalsContact O-N 3.12Å; V381-I383 PolarHBondContact O-N 2.9Å
382	R	41.9	Very low	46.6	Very low	179 Å²	179	96.1 Å²	96.1	68%	0.675	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-70.6	125.6	-177.5	-75.2	-100.2	-146.5	-88.2	-5.7	111	P380	P380-R382 PolarHBondContact O-N 3.18Å
383	I	33.8	Very low	48.6	Very low	116 Å²	116	97.3 Å²	97.3	60%	0.595	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-77.4	127.7	165.8	-59.6	169	0	0	0	108	L370 V381	L370-I383 HydrophobicContact CD1-CD1 4.42Å; L370-I383 HydrophobicContact CD2-CB 4.24Å; L370-I383 HydrophobicContact CD2-CD1 3.54Å; L370-I383 HydrophobicContact CD2-CG1 3.53Å; L370-I383 HydrophobicContact CD2-CG2 3.73Å; V381-I383 PolarHBondContact O-N 2.9Å
384	A	44.8	Very low	50.9	Low	41 Å²	41	96 Å²	96	34%	0.339	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-69	132.3	172.9	0	0	0	0	0	110.1	N386	A384-N386 PolarHBondContact O-N 2.87Å
385	A	44.5	Very low	53.1	Low	91 Å²	91	92.4 Å²	92.4	75%	0.752	51%	0.51	S	S	*	.	S	Bend	trans	-68.8	-15.1	-171.9	0	0	0	0	0	114.8
386	N	57	Low	55	Low	28 Å²	28	87.3 Å²	87.3	15%	0.15	48%	0.48	C	S	.	.	S	Bend	trans	-138.4	150.6	174.3	-42.1	-85.5	0	0	0	109	L313 S319 L323 A384	L313-N386 WeakPolarHBondContact CD2-ND2 3.17Å; S319-N386 VanDerWaalsContact C-OD1 3.31Å; S319-N386 WeakPolarHBondContact CB-ND2 3.38Å; S319-N386 WeakPolarHBondContact CB-OD1 3.37Å; S319-N386 VanDerWaalsContact O-CG 3.28Å; S319-N386 PolarHBondContact O-ND2 2.83Å; S319-N386 PolarHBondContact O-OD1 2.98Å; S319-N386 PolarHBondContact OG-OD1 3.26Å; L323-N386 HydrophobicContact CD1-CB 4.16Å; A384-N386 PolarHBondContact O-N 2.87Å
387	P	61.7	Low	57.2	Low	86 Å²	86	81.9 Å²	81.9	56%	0.558	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-62.2	141	169.2	28	-34.9	0	0	0	110.7	M368	M368-P387 HydrophobicContact CB-CB 4.5Å; M368-P387 HydrophobicContact CG-CB 4Å
388	P	75.4	Confident	59.7	Low	18 Å²	18	73.5 Å²	73.5	12%	0.117	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-69.5	161	170.8	31.6	-36.3	0	0	0	110.6	C264 V267 M368 A390	C264-P388 HydrophobicContact CB-CB 4.18Å; V267-P388 HydrophobicContact CG2-CB 4Å; V267-P388 HydrophobicContact CG2-CG 3.46Å; V267-P388 VanDerWaalsContact CG2-CG 3.46Å; M368-P388 HydrophobicContact CE-CG 3.98Å; P388-A390 PolarHBondContact O-N 2.84Å
389	I	78.3	Confident	61.6	Low	16 Å²	16	69.8 Å²	69.8	8%	0.082	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.8	178.2	-57.2	166.9	0	0	0	109.2	L265 L266 V267 L323 V326 A327 L330 V391	L265-I389 PolarHBondContact O-N 3.19Å; L266-I389 CarbonylContact C-O 3.54Å; L266-I389 VanDerWaalsContact CA-O 3.27Å; L266-I389 WeakPolarHBondContact CA-O 3.34Å; V267-I389 PolarHBondContact N-O 3.1Å; L323-I389 HydrophobicContact CB-CD1 4.2Å; L323-I389 HydrophobicContact CB-CG1 4.16Å; L323-I389 HydrophobicContact CD2-CD1 4.02Å; L323-I389 HydrophobicContact CD2-CG1 4.29Å; L323-I389 WeakPolarHBondContact O-CD1 3.32Å; V326-I389 HydrophobicContact CB-CD1 3.57Å; V326-I389 HydrophobicContact CG1-CD1 3.38Å; A327-I389 HydrophobicContact CB-CD1 4.31Å; A327-I389 HydrophobicContact CB-CG1 4.26Å; A327-I389 HydrophobicContact CB-CG2 3.73Å; L330-I389 HydrophobicContact CD1-CG2 4.1Å; I389-V391 HydrophobicContact CG2-CG2 4Å
390	A	78.6	Confident	63	Low	68 Å²	68	65.6 Å²	65.6	56%	0.562	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	121.6	173	0	0	0	0	0	110.2	V267 P388	V267-A390 WeakPolarHBondContact O-CA 3.47Å; P388-A390 PolarHBondContact O-N 2.84Å
391	V	77.2	Confident	64	Low	16 Å²	16	62.3 Å²	62.3	10%	0.097	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.5	176.6	-179.8	0	0	0	0	109.3	L266 V267 Y268 M269 L330 I389	L266-V391 HydrophobicContact CD1-CB 4.49Å; L266-V391 HydrophobicContact CD1-CG2 3.66Å; L266-V391 HydrophobicContact CG-CG2 4Å; V267-V391 PolarHBondContact O-N 2.84Å; Y268-V391 CarbonylContact C-O 3.57Å; Y268-V391 WeakPolarHBondContact CA-O 3.09Å; Y268-V391 HydrophobicContact CD2-CB 4.08Å; Y268-V391 HydrophobicContact CD2-CG1 3.93Å; Y268-V391 VanDerWaalsContact CD2-O 3.28Å; Y268-V391 WeakPolarHBondContact CD2-O 3.38Å; Y268-V391 HydrophobicContact CE2-CG1 4.14Å; M269-V391 PolarHBondContact N-O 3.49Å; L330-V391 HydrophobicContact CD1-CG2 4Å; I389-V391 HydrophobicContact CG2-CG2 4Å
392	R	74.1	Confident	64.4	Low	119 Å²	119	59.7 Å²	59.7	45%	0.449	33%	0.333	S	S	.	.			trans	-109	-27.4	179.1	-66.3	-175.2	-176.4	-100.7	15.5	113.5	M269 G270 E366	M269-R392 HydrophobicContact CB-CG 4.16Å; G270-R392 WeakPolarHBondContact CA-O 3.25Å; E366-R392 IonicContact OE2-NH2 3.21Å; E366-R392 PolarHBondContact OE2-NH2 3.12Å
393	H	68.7	Low	64.1	Low	135 Å²	135	58.2 Å²	58.2	63%	0.625	34%	0.338	S	S	*	.			trans	-96.7	125.1	-174.6	-56.4	-46.9	0	0	0	111.5	T334	T334-H393 HydrophobicContact CG2-CB 4.06Å
394	P	75.6	Confident	64	Low	33 Å²	33	57.5 Å²	57.5	21%	0.214	34%	0.343	C	S	.	.			trans	-77.9	163.1	168.5	31.5	-31	0	0	0	111.8	Y268 H297 V397	Y268-P394 WeakPolarHBondContact OH-CB 3.11Å; H297-P394 HydrophobicContact CB-CB 3.94Å; P394-V397 HydrophobicContact CB-CG2 4.31Å; P394-V397 HydrophobicContact CG-CG2 3.44Å; P394-V397 VanDerWaalsContact CG-CG2 3.44Å
395	H	71	Confident	63.2	Low	35 Å²	35	63.1 Å²	63.1	16%	0.162	37%	0.366	C	S	.	.	S	Bend	trans	-80.3	-32	168.6	176.9	-70.6	0	0	0	111.8	L298	L298-H395 WeakPolarHBondContact O-CA 3.09Å; L298-H395 WeakPolarHBondContact O-CB 3.29Å; L298-H395 PolarHBondContact O-N 3.29Å
396	A	71.4	Confident	62.5	Low	14 Å²	14	61.3 Å²	61.3	12%	0.116	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153.4	170.9	0	0	0	0	0	111.7	L298 F398	L298-A396 HydrophobicContact CB-CB 4.17Å; L298-A396 HydrophobicContact CD2-CB 4.41Å; L298-A396 PolarHBondContact N-O 2.85Å; L298-A396 PolarHBondContact O-N 2.85Å; A396-F398 HydrophobicContact CB-CE2 3.76Å; A396-F398 HydrophobicContact CB-CZ 4.21Å
397	V	76.8	Confident	61.5	Low	75 Å²	75	66.6 Å²	66.6	46%	0.455	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.4	179	179.3	0	0	0	0	109	T295 P394	T295-V397 HydrophobicContact CG2-CG1 4.22Å; P394-V397 HydrophobicContact CB-CG2 4.31Å; P394-V397 HydrophobicContact CG-CG2 3.44Å; P394-V397 VanDerWaalsContact CG-CG2 3.44Å
398	F	81.5	Confident	60.2	Low	6 Å²	6	66 Å²	66	3%	0.026	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.7	176.7	-55.6	-102.4	0	0	0	107.8	T295 A296 L298 A396 L440 Y452 L454	T295-F398 CarbonylContact C-O 3.58Å; T295-F398 VanDerWaalsContact CA-O 3.27Å; T295-F398 WeakPolarHBondContact CA-O 3.32Å; A296-F398 HydrophobicContact CB-CB 4.45Å; A296-F398 PolarHBondContact N-O 2.97Å; A296-F398 PolarHBondContact O-N 3.47Å; L298-F398 HydrophobicContact CB-CE2 4.05Å; L298-F398 HydrophobicContact CD2-CE2 4.37Å; A396-F398 HydrophobicContact CB-CE2 3.76Å; A396-F398 HydrophobicContact CB-CZ 4.21Å; F398-L440 HydrophobicContact CD1-CD1 4.44Å; F398-L440 HydrophobicContact CD1-CD2 4.13Å; F398-L440 HydrophobicContact CD1-CG 4.45Å; F398-L440 HydrophobicContact CD2-CD2 3.75Å; F398-L440 HydrophobicContact CE1-CD2 3.93Å; F398-L440 HydrophobicContact CE1-CG 4.31Å; F398-L440 HydrophobicContact CE2-CD2 3.57Å; F398-L440 HydrophobicContact CG-CD1 4.49Å; F398-L440 HydrophobicContact CG-CD2 4.04Å; F398-L440 HydrophobicContact CZ-CD2 3.66Å; F398-L440 HydrophobicContact CZ-CG 4.47Å; F398-Y452 HydrophobicContact CB-CE1 4.48Å; F398-Y452 AromaticContact CD1-CD1 3.83Å; F398-Y452 HydrophobicContact CD1-CD1 3.83Å; F398-Y452 HydrophobicContact CD1-CD2 4.35Å; F398-Y452 AromaticContact CD1-CG 3.69Å; F398-Y452 HydrophobicContact CD1-CG 3.69Å; F398-Y452 HydrophobicContact CE1-CG 4.36Å; F398-L454 HydrophobicContact CZ-CD2 4.1Å
399	Q	74.2	Confident	58.1	Low	77 Å²	77	69.2 Å²	69.2	36%	0.36	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.6	-172.8	-170.9	-178.6	11.6	0	0	111.3	T295 A401 S425 Y452	T295-Q399 HydrophobicContact CG2-CG 4.48Å; Q399-A401 PolarHBondContact O-N 3.24Å; Q399-S425 VanDerWaalsContact NE2-CB 3.35Å; Q399-S425 PolarHBondContact NE2-OG 3.3Å; Q399-Y452 PolarHBondContact O-OH 2.95Å
400	S	65.5	Low	56	Low	0 Å²	0	72.5 Å²	72.5	0%	0	44%	0.442	C	S	.	.			trans	-64.3	113.7	168	49.2	0	0	0	0	111	G294 N402 S425 S426	G294-S400 PolarHBondContact O-N 3.39Å; G294-S400 PolarHBondContact O-OG 3.13Å; S400-N402 PolarHBondContact O-N 2.94Å; S400-S425 WeakPolarHBondContact O-CB 3.28Å; S400-S425 VanDerWaalsContact OG-CB 3.3Å; S400-S425 WeakPolarHBondContact OG-CB 3.36Å; S400-S426 PolarHBondContact OG-N 3.31Å; S400-S426 VanDerWaalsContact OG-N 3.15Å; S400-S426 PolarHBondContact OG-O 3.17Å
401	A	53.4	Low	53.7	Low	46 Å²	46	76.3 Å²	76.3	38%	0.38	46%	0.458	S	S	.	.			trans	-77.3	110.7	-177.3	0	0	0	0	0	112.3	Q399 L403 R450	Q399-A401 PolarHBondContact O-N 3.24Å; A401-L403 PolarHBondContact O-N 3.45Å; A401-R450 PolarHBondContact O-NH2 2.88Å
402	N	46.2	Very low	51.4	Low	54 Å²	54	85.3 Å²	85.3	29%	0.289	49%	0.491	S	S	.	.			trans	-72.8	115.7	-179.2	-102.8	12.3	0	0	0	113.4	S400 C404 I423 D424	S400-N402 PolarHBondContact O-N 2.94Å; N402-C404 VanDerWaalsContact C-N 3.29Å; N402-C404 PolarHBondContact O-N 2.92Å; N402-I423 HydrophobicContact CB-CG2 4.05Å; N402-D424 VanDerWaalsContact CG-O 3.31Å; N402-D424 WeakPolarHBondContact ND2-CB 3.4Å; N402-D424 PolarHBondContact ND2-O 2.68Å; N402-D424 PolarHBondContact OD1-O 2.76Å
403	L	35.8	Very low	49.1	Very low	149 Å²	149	86.6 Å²	86.6	78%	0.78	51%	0.506	S	S	*	.			trans	-82.3	76.7	154.2	-79.4	167.5	0	0	0	109.3	A401 L405	A401-L403 PolarHBondContact O-N 3.45Å; L403-L405 PolarHBondContact O-N 3.33Å
404	C	32.4	Very low	47.4	Very low	101 Å²	101	83.7 Å²	83.7	68%	0.682	50%	0.501	S	S	*	.			trans	-70.6	80.3	168.7	-175	0	0	0	0	110.2	N402 S406	N402-C404 VanDerWaalsContact C-N 3.29Å; N402-C404 PolarHBondContact O-N 2.92Å; C404-S406 VanDerWaalsContact C-N 3.26Å; C404-S406 PolarHBondContact O-N 2.8Å
405	L	27.8	Very low	45.1	Very low	158 Å²	158	88.5 Å²	88.5	83%	0.827	53%	0.53	S	S	*	.			trans	-79.9	80.9	157.4	-87.1	155.7	0	0	0	107.8	L403	L403-L405 PolarHBondContact O-N 3.33Å
406	S	30.5	Very low	43.1	Very low	54 Å²	54	91.1 Å²	91.1	38%	0.378	55%	0.552	S	S	.	*			trans	-57.5	141.5	163.8	63.7	0	0	0	0	108.7	C404 S408	C404-S406 VanDerWaalsContact C-N 3.26Å; C404-S406 PolarHBondContact O-N 2.8Å; S406-S408 PolarHBondContact O-N 2.81Å; S406-S408 PolarHBondContact OG-O 3.48Å
407	S	34.9	Very low	41.2	Very low	139 Å²	139	96 Å²	96	97%	0.972	59%	0.593	S	S	*	*	S	Bend	trans	-68	5.3	-178.4	46.1	0	0	0	0	114.1
408	S	34.4	Very low	39.1	Very low	72 Å²	72	97.3 Å²	97.3	50%	0.503	61%	0.605	S	S	.	*	S	Bend	trans	-125.3	102.4	171.1	54	0	0	0	0	108.1	S406 T410	S406-S408 PolarHBondContact O-N 2.81Å; S406-S408 PolarHBondContact OG-O 3.48Å; S408-T410 PolarHBondContact O-N 3.16Å
409	G	31.9	Very low	36.4	Very low	86 Å²	86	101.2 Å²	101.2	89%	0.887	65%	0.647	S	S	*	*			trans	-70.5	51.6	-167.7	0	0	0	0	0	116.8
410	T	33.1	Very low	34.1	Very low	86 Å²	86	102 Å²	102	53%	0.528	66%	0.66	S	S	.	*			trans	-111.3	103.8	173.2	48.8	0	0	0	0	109.8	S408 W412	S408-T410 PolarHBondContact O-N 3.16Å; T410-W412 PolarHBondContact O-N 3.42Å
411	V	31.4	Very low	32.3	Very low	147 Å²	147	108.3 Å²	108.3	89%	0.891	69%	0.694	S	S	*	*			trans	-70	105.9	166.2	177.1	0	0	0	0	107.6	N413	V411-N413 PolarHBondContact O-N 3.13Å
412	W	28.9	Very low	31.4	Very low	206 Å²	206	111.5 Å²	111.5	78%	0.78	70%	0.703	S	S	*	*			trans	-87.5	103.1	173.8	-88	78.4	0	0	0	110.3	T410 S414	T410-W412 PolarHBondContact O-N 3.42Å; W412-S414 PolarHBondContact O-N 3Å
413	N	26.1	Very low	31.3	Very low	145 Å²	145	113.4 Å²	113.4	78%	0.775	71%	0.713	S	S	*	*			trans	-76.6	77.1	166.9	-171	16.9	0	0	0	109.1	V411 T415	V411-N413 PolarHBondContact O-N 3.13Å; N413-T415 PolarHBondContact O-N 3.47Å
414	S	31.5	Very low	32.2	Very low	75 Å²	75	111.6 Å²	111.6	52%	0.524	70%	0.704	S	S	.	*			trans	-86.6	86.8	-177	-73.5	0	0	0	0	111.8	W412 S416	W412-S414 PolarHBondContact O-N 3Å; S414-S416 VanDerWaalsContact C-N 3.26Å; S414-S416 PolarHBondContact O-N 3.05Å
415	T	27.9	Very low	34	Very low	134 Å²	134	107.9 Å²	107.9	82%	0.822	68%	0.679	S	S	*	*			trans	-64.5	87.1	157.7	48	0	0	0	0	109.5	N413	N413-T415 PolarHBondContact O-N 3.47Å
416	S	30	Very low	36.9	Very low	89 Å²	89	101.8 Å²	101.8	62%	0.622	65%	0.649	S	S	*	*			trans	-128.8	126.5	173.2	-72.1	0	0	0	0	109.4	S414 S418	S414-S416 VanDerWaalsContact C-N 3.26Å; S414-S416 PolarHBondContact O-N 3.05Å; S416-S418 VanDerWaalsContact C-N 3.27Å; S416-S418 PolarHBondContact O-N 2.86Å
417	A	30.4	Very low	39.8	Very low	118 Å²	118	100.9 Å²	100.9	98%	0.975	64%	0.642	S	S	*	*	S	Bend	trans	-77.1	70.3	-168.9	0	0	0	0	0	112.8
418	S	33.1	Very low	42.7	Very low	101 Å²	101	94.2 Å²	94.2	71%	0.706	60%	0.596	S	S	*	*	S	Bend	trans	-149.2	40.7	172.6	48.7	0	0	0	0	113	S416 C420	S416-S418 VanDerWaalsContact C-N 3.27Å; S416-S418 PolarHBondContact O-N 2.86Å; S418-C420 VanDerWaalsContact C-N 3.32Å; S418-C420 PolarHBondContact O-N 2.96Å
419	G	25.3	Very low	45.7	Very low	88 Å²	88	91.1 Å²	91.1	91%	0.907	57%	0.574	S	S	*	*			trans	70.2	-6	140.6	0	0	0	0	0	120.8
420	C	24.7	Very low	48.8	Very low	94 Å²	94	87 Å²	87	64%	0.635	53%	0.532	S	S	*	.			trans	-121.4	92.4	-174.9	-133.6	0	0	0	0	113	S418 I422	S418-C420 VanDerWaalsContact C-N 3.32Å; S418-C420 PolarHBondContact O-N 2.96Å; C420-I422 HydrophobicContact CB-CD1 4.41Å; C420-I422 HydrophobicContact CB-CG1 4Å; C420-I422 PolarHBondContact O-N 2.59Å; C420-I422 WeakPolarHBondContact SG-CG1 3.4Å
421	N	28	Very low	51.8	Low	133 Å²	133	83 Å²	83	71%	0.711	51%	0.507	S	S	*	.			trans	-74.6	70.2	162.8	-75	-16.7	0	0	0	109.3	I347 I423	I347-N421 HydrophobicContact CD1-CB 4.34Å; N421-I423 VanDerWaalsContact C-N 3.28Å; N421-I423 PolarHBondContact O-N 3.12Å
422	I	34	Very low	54.9	Low	112 Å²	112	76.4 Å²	76.4	57%	0.574	47%	0.467	S	S	*	.			trans	-73.9	90	170.6	-49.3	-178.7	0	0	0	107.6	C420 D424	C420-I422 HydrophobicContact CB-CD1 4.41Å; C420-I422 HydrophobicContact CB-CG1 4Å; C420-I422 PolarHBondContact O-N 2.59Å; C420-I422 WeakPolarHBondContact SG-CG1 3.4Å; I422-D424 VanDerWaalsContact CG2-OD1 3.23Å; I422-D424 WeakPolarHBondContact CG2-OD1 3.25Å; I422-D424 PolarHBondContact O-N 3.09Å
423	I	44.8	Very low	57.9	Low	95 Å²	95	66.7 Å²	66.7	49%	0.487	43%	0.43	S	S	.	.			trans	-66.7	107.9	152.2	-57.5	173.8	0	0	0	104.1	N402 N421 S425	N402-I423 HydrophobicContact CB-CG2 4.05Å; N421-I423 VanDerWaalsContact C-N 3.28Å; N421-I423 PolarHBondContact O-N 3.12Å; I423-S425 PolarHBondContact O-N 2.94Å
424	D	54.5	Low	61	Low	111 Å²	111	59.8 Å²	59.8	59%	0.594	39%	0.394	S	S	*	.			trans	-66.6	57.8	-172.5	-70	-47.7	0	0	0	113.6	N402 I422 S426	N402-D424 VanDerWaalsContact CG-O 3.31Å; N402-D424 WeakPolarHBondContact ND2-CB 3.4Å; N402-D424 PolarHBondContact ND2-O 2.68Å; N402-D424 PolarHBondContact OD1-O 2.76Å; I422-D424 VanDerWaalsContact CG2-OD1 3.23Å; I422-D424 WeakPolarHBondContact CG2-OD1 3.25Å; I422-D424 PolarHBondContact O-N 3.09Å; D424-S426 PolarHBondContact O-N 2.81Å
425	S	70.6	Confident	63.5	Low	22 Å²	22	58.9 Å²	58.9	15%	0.154	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-55.8	119.7	-174.3	40.6	0	0	0	0	111.6	D293 Q399 S400 I423	D293-S425 PolarHBondContact O-OG 2.75Å; Q399-S425 VanDerWaalsContact NE2-CB 3.35Å; Q399-S425 PolarHBondContact NE2-OG 3.3Å; S400-S425 WeakPolarHBondContact O-CB 3.28Å; S400-S425 VanDerWaalsContact OG-CB 3.3Å; S400-S425 WeakPolarHBondContact OG-CB 3.36Å; I423-S425 PolarHBondContact O-N 2.94Å
426	S	88.2	Confident	65.9	Low	30 Å²	30	55 Å²	55	21%	0.21	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.6	142.1	-178.4	-72.1	0	0	0	0	111.6	G294 S400 D424 L428 S444	G294-S426 WeakPolarHBondContact CA-O 3.45Å; S400-S426 PolarHBondContact OG-N 3.31Å; S400-S426 VanDerWaalsContact OG-N 3.15Å; S400-S426 PolarHBondContact OG-O 3.17Å; D424-S426 PolarHBondContact O-N 2.81Å; S426-L428 PolarHBondContact O-N 2.77Å; S426-S444 WeakPolarHBondContact CB-OG 3.29Å; S426-S444 PolarHBondContact O-OG 3.08Å
427	P	92.5	Very high	68.5	Low	35 Å²	35	54.3 Å²	54.3	23%	0.227	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-47.3	134	-179.3	-32.9	35.9	0	0	0	114.1	S444 W445	P427-S444 WeakPolarHBondContact O-CA 3.47Å; P427-W445 HydrophobicContact CB-CB 4.41Å; P427-W445 HydrophobicContact CB-CD2 3.82Å; P427-W445 HydrophobicContact CB-CE3 4.08Å; P427-W445 HydrophobicContact CB-CG 3.99Å; P427-W445 HydrophobicContact CG-CD2 4.18Å; P427-W445 HydrophobicContact CG-CE3 3.94Å; P427-W445 HydrophobicContact CG-CZ3 4.4Å; P427-W445 PolarHBondContact O-N 2.71Å
428	L	96.2	Very high	71.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.5	171.6	-58.7	-171.1	0	0	0	110.4	N276 S291 T295 A296 S426 T442 A443	N276-L428 PolarHBondContact ND2-O 3.24Å; S291-L428 PolarHBondContact O-N 2.97Å; T295-L428 VanDerWaalsContact C-CD1 3.43Å; T295-L428 WeakPolarHBondContact O-CD1 3.42Å; A296-L428 HydrophobicContact CB-CD1 3.71Å; S426-L428 PolarHBondContact O-N 2.77Å; L428-T442 HydrophobicContact CD1-CG2 3.94Å; L428-A443 CarbonylContact C-O 3.59Å; L428-A443 VanDerWaalsContact CA-O 3.31Å; L428-A443 WeakPolarHBondContact CA-O 3.33Å
429	S	96.6	Very high	74.1	Confident	7 Å²	7	48.9 Å²	48.9	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-29	177.8	56.8	0	0	0	0	113.1	A443 L470 R560	S429-A443 PolarHBondContact N-O 2.91Å; S429-A443 PolarHBondContact OG-O 3.14Å; S429-L470 WeakPolarHBondContact CB-O 3.3Å; S429-L470 VanDerWaalsContact OG-C 3.3Å; S429-L470 PolarHBondContact OG-O 3.39Å; S429-R560 PolarHBondContact O-NH1 2.86Å; S429-R560 PolarHBondContact O-NH2 2.83Å
430	A	97.3	Very high	77.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	162.7	174.8	0	0	0	0	0	111.9	S290 A443 V473	S290-A430 WeakPolarHBondContact OG-CA 3.48Å; A430-A443 PolarHBondContact O-N 3.48Å; A430-V473 HydrophobicContact CB-CG1 3.96Å
431	A	96.7	Very high	80.7	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.2	164.3	0	0	0	0	0	110.5	R279 L288 A296 V441 T442	R279-A431 VanDerWaalsContact CG-O 3.25Å; R279-A431 WeakPolarHBondContact CG-O 3.32Å; L288-A431 HydrophobicContact CD2-CB 3.77Å; L288-A431 HydrophobicContact CG-CB 4.08Å; A296-A431 HydrophobicContact CB-CB 4.36Å; A431-V441 CarbonylContact C-O 3.55Å; A431-V441 WeakPolarHBondContact CA-O 3.36Å; A431-V441 WeakPolarHBondContact CB-O 3.36Å; A431-T442 HydrophobicContact CB-CG2 4.06Å
432	D	95.5	Very high	83.9	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.043	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	165.3	-179.8	-158.1	6.2	0	0	0	111.7	R279 L440 V441 R474 C475	R279-D432 HydrophobicContact CG-CB 4.43Å; R279-D432 IonicContact NE-OD1 3.74Å; D432-L440 CarbonylContact O-C 3.58Å; D432-L440 WeakPolarHBondContact O-CA 3.26Å; D432-V441 HydrophobicContact CB-CG1 4.37Å; D432-V441 PolarHBondContact N-O 2.79Å; D432-V441 PolarHBondContact O-N 2.97Å; D432-R474 WeakPolarHBondContact OD2-CA 3.36Å; D432-C475 PolarHBondContact OD2-N 2.95Å
433	F	92.6	Very high	86.9	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.3	179.2	-65.8	-78.2	0	0	0	111.5	R279 R281 L286 L288 L298 Y435 L440 L454 C475	R279-F433 HydrophobicContact CB-CD2 4.42Å; R279-F433 HydrophobicContact CB-CE2 4.36Å; R281-F433 HydrophobicContact CB-CD1 4.37Å; R281-F433 HydrophobicContact CB-CD2 3.83Å; R281-F433 HydrophobicContact CB-CE1 4.25Å; R281-F433 HydrophobicContact CB-CE2 3.71Å; R281-F433 HydrophobicContact CB-CG 4.15Å; R281-F433 HydrophobicContact CB-CZ 3.9Å; R281-F433 HydrophobicContact CG-CD1 4.46Å; R281-F433 HydrophobicContact CG-CD2 4.36Å; R281-F433 HydrophobicContact CG-CG 4.25Å; L286-F433 HydrophobicContact CB-CZ 4.13Å; L288-F433 HydrophobicContact CB-CE1 4.39Å; L288-F433 HydrophobicContact CB-CE2 3.65Å; L288-F433 HydrophobicContact CB-CZ 3.54Å; L288-F433 HydrophobicContact CD2-CE1 4.3Å; L288-F433 HydrophobicContact CD2-CE2 4.23Å; L288-F433 HydrophobicContact CD2-CZ 4.15Å; L288-F433 HydrophobicContact CG-CZ 4.44Å; L298-F433 HydrophobicContact CD1-CE1 3.72Å; L298-F433 HydrophobicContact CD1-CZ 3.6Å; F433-Y435 VanDerWaalsContact O-CD2 3.23Å; F433-Y435 WeakPolarHBondContact O-CD2 3.39Å; F433-Y435 VanDerWaalsContact O-CE2 3.24Å; F433-Y435 WeakPolarHBondContact O-CE2 3.16Å; F433-Y435 PolarHBondContact O-N 2.93Å; F433-Y435 VanDerWaalsContact O-N 3.15Å; F433-L440 HydrophobicContact CD1-CB 4.31Å; F433-L454 HydrophobicContact CD1-CD1 4.2Å; F433-L454 HydrophobicContact CE1-CD1 4.44Å; F433-L454 HydrophobicContact CE1-CD2 4.43Å; F433-C475 VanDerWaalsContact C-SG 3.6Å; F433-C475 WeakPolarHBondContact O-CB 3.37Å; F433-C475 PolarHBondContact O-SG 3.25Å
434	V	91.4	Very high	89.4	Confident	1 Å²	1	24 Å²	24	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	94.7	179.3	-175.9	0	0	0	0	109.2	R437 Q439 V441 P481 V483	V434-R437 PolarHBondContact O-N 2.86Å; V434-Q439 HydrophobicContact CB-CB 4.03Å; V434-Q439 HydrophobicContact CG2-CB 4.31Å; V434-Q439 PolarHBondContact N-O 3.01Å; V434-V441 HydrophobicContact CG2-CB 4.02Å; V434-V441 HydrophobicContact CG2-CG1 4.09Å; V434-P481 HydrophobicContact CG1-CB 4.04Å; V434-V483 HydrophobicContact CG1-CG2 4.31Å; V434-V483 HydrophobicContact CG2-CG2 3.94Å
435	Y	82.8	Confident	91.3	Very high	55 Å²	55	23.3 Å²	23.3	22%	0.216	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	148.7	-178.9	-54	-88.1	0	0	0	112.3	F433 R437 C475 E476 F480 P481	F433-Y435 VanDerWaalsContact O-CD2 3.23Å; F433-Y435 WeakPolarHBondContact O-CD2 3.39Å; F433-Y435 VanDerWaalsContact O-CE2 3.24Å; F433-Y435 WeakPolarHBondContact O-CE2 3.16Å; F433-Y435 PolarHBondContact O-N 2.93Å; F433-Y435 VanDerWaalsContact O-N 3.15Å; Y435-R437 PolarHBondContact O-N 2.8Å; Y435-C475 HydrophobicContact CD2-CB 3.82Å; Y435-C475 HydrophobicContact CE2-CB 3.96Å; Y435-E476 WeakPolarHBondContact CB-O 3.18Å; Y435-E476 VanDerWaalsContact CD2-O 3.23Å; Y435-E476 WeakPolarHBondContact CD2-O 3.19Å; Y435-F480 CarbonylContact O-C 3.11Å; Y435-P481 WeakPolarHBondContact O-CA 3.27Å
436	G	78.4	Confident	92.3	Very high	53 Å²	53	23.8 Å²	23.8	55%	0.546	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	-6.5	-171.9	0	0	0	0	0	114.9	G479	G436-G479 WeakPolarHBondContact CA-O 3.49Å
437	R	85.3	Confident	92.6	Very high	75 Å²	75	28 Å²	28	28%	0.283	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	158.4	171.5	-67.2	178.5	175.2	-159.7	-5.3	109.8	V434 Y435 Q439 P481 F497	V434-R437 PolarHBondContact O-N 2.86Å; Y435-R437 PolarHBondContact O-N 2.8Å; R437-Q439 HydrophobicContact CB-CB 4.12Å; R437-Q439 HydrophobicContact CB-CG 4.01Å; R437-Q439 PolarHBondContact O-N 2.55Å; R437-Q439 VanDerWaalsContact O-N 3.08Å; R437-P481 HydrophobicContact CG-CB 3.92Å; R437-F497 VanDerWaalsContact NH2-CB 3.35Å; R437-F497 PolarHBondContact NH2-O 2.7Å
438	E	89.3	Confident	92.7	Very high	80 Å²	80	28 Å²	28	37%	0.374	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	60.1	170.3	-68.2	-65.8	156.8	0	0	109.5	R281 K283 L454	R281-E438 IonicContact CZ-OE2 3.75Å; R281-E438 IonicContact NH1-OE2 3.56Å; R281-E438 PolarHBondContact NH1-OE2 2.86Å; R281-E438 IonicContact NH2-OE2 2.91Å; R281-E438 PolarHBondContact NH2-OE2 3.05Å; K283-E438 IonicContact NZ-OE1 2.75Å; K283-E438 PolarHBondContact NZ-OE1 3.04Å; E438-L454 WeakPolarHBondContact O-CB 3.36Å; E438-L454 WeakPolarHBondContact O-CG 3.39Å; E438-L454 PolarHBondContact O-N 2.98Å
439	Q	91.6	Very high	92.6	Very high	24 Å²	24	28 Å²	28	11%	0.112	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.2	-173	-70.8	172.2	6.1	0	0	111.8	V434 R437 Y452 L460	V434-Q439 HydrophobicContact CB-CB 4.03Å; V434-Q439 HydrophobicContact CG2-CB 4.31Å; V434-Q439 PolarHBondContact N-O 3.01Å; R437-Q439 HydrophobicContact CB-CB 4.12Å; R437-Q439 HydrophobicContact CB-CG 4.01Å; R437-Q439 PolarHBondContact O-N 2.55Å; R437-Q439 VanDerWaalsContact O-N 3.08Å; Q439-Y452 CarbonylContact C-O 3.51Å; Q439-Y452 WeakPolarHBondContact CA-O 3.33Å; Q439-Y452 WeakPolarHBondContact CB-O 3.42Å; Q439-L460 HydrophobicContact CG-CD1 3.69Å
440	L	93.2	Very high	92.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	164.8	163.1	71.2	78.6	0	0	0	110.7	L288 F398 D432 F433 T442 T451 Y452 L454	L288-L440 HydrophobicContact CD1-CD2 3.89Å; L288-L440 HydrophobicContact CD2-CB 4.16Å; L288-L440 HydrophobicContact CD2-CD2 4.09Å; F398-L440 HydrophobicContact CD1-CD1 4.44Å; F398-L440 HydrophobicContact CD1-CD2 4.13Å; F398-L440 HydrophobicContact CD1-CG 4.45Å; F398-L440 HydrophobicContact CD2-CD2 3.75Å; F398-L440 HydrophobicContact CE1-CD2 3.93Å; F398-L440 HydrophobicContact CE1-CG 4.31Å; F398-L440 HydrophobicContact CE2-CD2 3.57Å; F398-L440 HydrophobicContact CG-CD1 4.49Å; F398-L440 HydrophobicContact CG-CD2 4.04Å; F398-L440 HydrophobicContact CZ-CD2 3.66Å; F398-L440 HydrophobicContact CZ-CG 4.47Å; D432-L440 CarbonylContact O-C 3.58Å; D432-L440 WeakPolarHBondContact O-CA 3.26Å; F433-L440 HydrophobicContact CD1-CB 4.31Å; L440-T442 HydrophobicContact CD1-CG2 3.84Å; L440-T451 CarbonylContact O-C 3.56Å; L440-T451 VanDerWaalsContact O-CA 3.27Å; L440-T451 WeakPolarHBondContact O-CA 3.47Å; L440-Y452 HydrophobicContact CD1-CD2 3.54Å; L440-Y452 HydrophobicContact CD1-CE2 4.25Å; L440-Y452 HydrophobicContact CD1-CG 4.24Å; L440-Y452 HydrophobicContact CG-CD2 4.5Å; L440-Y452 PolarHBondContact N-O 2.84Å; L440-Y452 PolarHBondContact O-N 2.9Å; L440-L454 HydrophobicContact CB-CD2 4.04Å; L440-L454 HydrophobicContact CD2-CD2 3.7Å; L440-L454 HydrophobicContact CG-CD2 4.01Å
441	V	95	Very high	92.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	139.8	171.6	63.8	0	0	0	0	110.7	A431 D432 V434 R450 T451 L463 V473 C475 V483	A431-V441 CarbonylContact C-O 3.55Å; A431-V441 WeakPolarHBondContact CA-O 3.36Å; A431-V441 WeakPolarHBondContact CB-O 3.36Å; D432-V441 HydrophobicContact CB-CG1 4.37Å; D432-V441 PolarHBondContact N-O 2.79Å; D432-V441 PolarHBondContact O-N 2.97Å; V434-V441 HydrophobicContact CG2-CB 4.02Å; V434-V441 HydrophobicContact CG2-CG1 4.09Å; V441-R450 CarbonylContact C-O 3.34Å; V441-R450 VanDerWaalsContact CA-O 3.26Å; V441-R450 WeakPolarHBondContact CA-O 3.48Å; V441-R450 WeakPolarHBondContact CG2-O 3.4Å; V441-T451 HydrophobicContact CB-CG2 4.22Å; V441-T451 HydrophobicContact CG2-CG2 4.07Å; V441-L463 HydrophobicContact CG2-CD1 3.83Å; V441-V473 HydrophobicContact CB-CG2 4.46Å; V441-V473 HydrophobicContact CG1-CG1 4.25Å; V441-V473 HydrophobicContact CG1-CG2 3.58Å; V441-V473 HydrophobicContact CG2-CG2 4.01Å; V441-C475 VanDerWaalsContact CG1-SG 3.56Å; V441-V483 HydrophobicContact CG1-CG1 4Å; V441-V483 HydrophobicContact CG1-CG2 4.35Å; V441-V483 HydrophobicContact CG2-CG1 4.23Å
442	T	96.6	Very high	92.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	155.7	170.1	69.5	0	0	0	0	111.3	A296 L428 A431 L440 G449 R450 Y452	A296-T442 HydrophobicContact CB-CG2 3.94Å; L428-T442 HydrophobicContact CD1-CG2 3.94Å; A431-T442 HydrophobicContact CB-CG2 4.06Å; L440-T442 HydrophobicContact CD1-CG2 3.84Å; T442-G449 CarbonylContact O-C 3.51Å; T442-G449 WeakPolarHBondContact O-CA 3.25Å; T442-R450 PolarHBondContact N-O 2.84Å; T442-R450 PolarHBondContact O-N 3.12Å; T442-Y452 HydrophobicContact CG2-CD2 4.43Å; T442-Y452 HydrophobicContact CG2-CE2 3.82Å
443	A	96.8	Very high	91.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.5	170.3	0	0	0	0	0	110.2	L428 S429 A430 L470 V473	L428-A443 CarbonylContact C-O 3.59Å; L428-A443 VanDerWaalsContact CA-O 3.31Å; L428-A443 WeakPolarHBondContact CA-O 3.33Å; S429-A443 PolarHBondContact N-O 2.91Å; S429-A443 PolarHBondContact OG-O 3.14Å; A430-A443 PolarHBondContact O-N 3.48Å; A443-L470 HydrophobicContact CB-CB 3.74Å; A443-L470 HydrophobicContact CB-CD1 3.87Å; A443-L470 HydrophobicContact CB-CG 4.46Å; A443-V473 HydrophobicContact CB-CB 3.81Å; A443-V473 HydrophobicContact CB-CG1 3.72Å
444	S	96.2	Very high	91.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158.6	-171.3	176.8	0	0	0	0	113.2	S426 P427 D446 R447 L448 L470	S426-S444 WeakPolarHBondContact CB-OG 3.29Å; S426-S444 PolarHBondContact O-OG 3.08Å; P427-S444 WeakPolarHBondContact O-CA 3.47Å; S444-D446 WeakPolarHBondContact CB-OD1 3.44Å; S444-D446 PolarHBondContact O-N 2.95Å; S444-D446 PolarHBondContact OG-N 2.97Å; S444-D446 PolarHBondContact OG-OD1 2.93Å; S444-D446 VanDerWaalsContact OG-OD1 3.08Å; S444-D446 PolarHBondContact OG-OD2 3.08Å; S444-R447 PolarHBondContact O-N 2.8Å; S444-L448 PolarHBondContact N-O 3.25Å; S444-L448 VanDerWaalsContact N-O 3.12Å; S444-L470 WeakPolarHBondContact O-CB 3.48Å; S444-L470 PolarHBondContact O-N 3.3Å; S444-L470 VanDerWaalsContact O-N 3.16Å
445	W	94.8	Very high	91	Very high	96 Å²	96	32.3 Å²	32.3	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.5	173.3	-71.4	18.8	0	0	0	113	P427 R447 H469	P427-W445 HydrophobicContact CB-CB 4.41Å; P427-W445 HydrophobicContact CB-CD2 3.82Å; P427-W445 HydrophobicContact CB-CE3 4.08Å; P427-W445 HydrophobicContact CB-CG 3.99Å; P427-W445 HydrophobicContact CG-CD2 4.18Å; P427-W445 HydrophobicContact CG-CE3 3.94Å; P427-W445 HydrophobicContact CG-CZ3 4.4Å; P427-W445 PolarHBondContact O-N 2.71Å; W445-R447 PolarHBondContact O-N 3.48Å; W445-R447 VanDerWaalsContact O-N 3.11Å; W445-H469 HydrophobicContact CB-CB 4.25Å; W445-H469 VanDerWaalsContact CB-CD2 3.49Å; W445-H469 WeakPolarHBondContact CB-CD2 3.1Å; W445-H469 AromaticContact CD2-CD2 3.57Å; W445-H469 AromaticContact CE3-CD2 3.72Å; W445-H469 HydrophobicContact CG-CB 4.17Å; W445-H469 AromaticContact CG-CD2 3.48Å; W445-H469 VanDerWaalsContact CG-CD2 3.48Å; W445-H469 PolarHBondContact O-ND1 3.26Å
446	D	91.8	Very high	90.8	Very high	32 Å²	32	32.3 Å²	32.3	17%	0.171	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	3.9	166.1	67.6	10.5	0	0	0	113.8	S444 L448 R450	S444-D446 WeakPolarHBondContact CB-OD1 3.44Å; S444-D446 PolarHBondContact O-N 2.95Å; S444-D446 PolarHBondContact OG-N 2.97Å; S444-D446 PolarHBondContact OG-OD1 2.93Å; S444-D446 VanDerWaalsContact OG-OD1 3.08Å; S444-D446 PolarHBondContact OG-OD2 3.08Å; D446-L448 PolarHBondContact O-N 3.32Å; D446-L448 WeakPolarHBondContact OD1-CA 3.28Å; D446-L448 VanDerWaalsContact OD1-CB 3.27Å; D446-L448 WeakPolarHBondContact OD1-CB 3.43Å; D446-L448 PolarHBondContact OD1-N 2.94Å; D446-R450 IonicContact OD1-NH1 3.71Å; D446-R450 IonicContact OD2-CZ 3.61Å; D446-R450 IonicContact OD2-NH1 3.72Å; D446-R450 PolarHBondContact OD2-NH1 3.21Å; D446-R450 IonicContact OD2-NH2 3.88Å; D446-R450 PolarHBondContact OD2-NH2 3.25Å
447	R	94.9	Very high	90.9	Very high	120 Å²	120	30.5 Å²	30.5	45%	0.453	15%	0.149	S	C	.	.	S	Bend	trans	75.5	5.2	179.6	-39.4	166.3	-168.3	-169.8	7.6	114.1	S444 W445 D467	S444-R447 PolarHBondContact O-N 2.8Å; W445-R447 PolarHBondContact O-N 3.48Å; W445-R447 VanDerWaalsContact O-N 3.11Å; R447-D467 WeakPolarHBondContact CD-O 3.17Å; R447-D467 PolarHBondContact NE-O 2.95Å; R447-D467 PolarHBondContact NH1-O 2.76Å
448	L	94.1	Very high	90.7	Very high	34 Å²	34	30.7 Å²	30.7	18%	0.178	15%	0.153	C	C	.	.			trans	-104.7	137.5	-179.4	-56.4	175.7	0	0	0	110.5	S444 D446 T464 L470	S444-L448 PolarHBondContact N-O 3.25Å; S444-L448 VanDerWaalsContact N-O 3.12Å; D446-L448 PolarHBondContact O-N 3.32Å; D446-L448 WeakPolarHBondContact OD1-CA 3.28Å; D446-L448 VanDerWaalsContact OD1-CB 3.27Å; D446-L448 WeakPolarHBondContact OD1-CB 3.43Å; D446-L448 PolarHBondContact OD1-N 2.94Å; L448-T464 HydrophobicContact CD2-CG2 3.69Å; L448-L470 VanDerWaalsContact C-CD1 3.45Å; L448-L470 WeakPolarHBondContact O-CD1 3.14Å
449	G	94.8	Very high	90.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	154.1	152.9	0	0	0	0	0	108.9	T442 S462 L463	T442-G449 CarbonylContact O-C 3.51Å; T442-G449 WeakPolarHBondContact O-CA 3.25Å; G449-S462 CarbonylContact O-C 3.51Å; G449-L463 PolarHBondContact N-O 3.33Å; G449-L463 PolarHBondContact O-N 3.41Å
450	R	93.5	Very high	90.5	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.5	173.1	-70.9	177.9	-178	78.9	-6.6	109.9	A401 V441 T442 D446 Y452 E459	A401-R450 PolarHBondContact O-NH2 2.88Å; V441-R450 CarbonylContact C-O 3.34Å; V441-R450 VanDerWaalsContact CA-O 3.26Å; V441-R450 WeakPolarHBondContact CA-O 3.48Å; V441-R450 WeakPolarHBondContact CG2-O 3.4Å; T442-R450 PolarHBondContact N-O 2.84Å; T442-R450 PolarHBondContact O-N 3.12Å; D446-R450 IonicContact OD1-NH1 3.71Å; D446-R450 IonicContact OD2-CZ 3.61Å; D446-R450 IonicContact OD2-NH1 3.72Å; D446-R450 PolarHBondContact OD2-NH1 3.21Å; D446-R450 IonicContact OD2-NH2 3.88Å; D446-R450 PolarHBondContact OD2-NH2 3.25Å; R450-Y452 HydrophobicContact CB-CD2 4.33Å; R450-Y452 HydrophobicContact CB-CE2 3.46Å; R450-Y452 VanDerWaalsContact CB-CE2 3.46Å; R450-Y452 WeakPolarHBondContact CD-OH 3.41Å; R450-Y452 WeakPolarHBondContact O-CD2 3.34Å; R450-Y452 WeakPolarHBondContact O-CE2 3.4Å; R450-E459 HydrophobicContact CB-CG 4.33Å; R450-E459 VanDerWaalsContact CD-CD 3.45Å; R450-E459 WeakPolarHBondContact CD-OE1 3.36Å; R450-E459 VanDerWaalsContact CD-OE2 3.27Å; R450-E459 WeakPolarHBondContact CD-OE2 3.43Å; R450-E459 HydrophobicContact CG-CG 4.4Å; R450-E459 WeakPolarHBondContact CG-OE1 3.47Å; R450-E459 IonicContact NE-OE1 3.88Å; R450-E459 IonicContact NE-OE2 3.8Å; R450-E459 PolarHBondContact NE-OE2 2.74Å
451	T	93.7	Very high	90.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	143.1	169.8	60.3	0	0	0	0	109.9	L440 V441 L460 E461 L463	L440-T451 CarbonylContact O-C 3.56Å; L440-T451 VanDerWaalsContact O-CA 3.27Å; L440-T451 WeakPolarHBondContact O-CA 3.47Å; V441-T451 HydrophobicContact CB-CG2 4.22Å; V441-T451 HydrophobicContact CG2-CG2 4.07Å; T451-L460 PolarHBondContact O-N 2.87Å; T451-E461 PolarHBondContact N-O 3.08Å; T451-E461 WeakPolarHBondContact OG1-CB 3.34Å; T451-E461 PolarHBondContact OG1-N 3.45Å; T451-E461 PolarHBondContact OG1-O 3.38Å; T451-L463 HydrophobicContact CG2-CD1 4.5Å; T451-L463 HydrophobicContact CG2-CD2 4.29Å
452	Y	91.5	Very high	90.2	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.5	179.4	-54.5	-104.2	0	0	0	109.9	F398 Q399 Q439 L440 T442 R450 Q458 E459	F398-Y452 HydrophobicContact CB-CE1 4.48Å; F398-Y452 AromaticContact CD1-CD1 3.83Å; F398-Y452 HydrophobicContact CD1-CD1 3.83Å; F398-Y452 HydrophobicContact CD1-CD2 4.35Å; F398-Y452 AromaticContact CD1-CG 3.69Å; F398-Y452 HydrophobicContact CD1-CG 3.69Å; F398-Y452 HydrophobicContact CE1-CG 4.36Å; Q399-Y452 PolarHBondContact O-OH 2.95Å; Q439-Y452 CarbonylContact C-O 3.51Å; Q439-Y452 WeakPolarHBondContact CA-O 3.33Å; Q439-Y452 WeakPolarHBondContact CB-O 3.42Å; L440-Y452 HydrophobicContact CD1-CD2 3.54Å; L440-Y452 HydrophobicContact CD1-CE2 4.25Å; L440-Y452 HydrophobicContact CD1-CG 4.24Å; L440-Y452 HydrophobicContact CG-CD2 4.5Å; L440-Y452 PolarHBondContact N-O 2.84Å; L440-Y452 PolarHBondContact O-N 2.9Å; T442-Y452 HydrophobicContact CG2-CD2 4.43Å; T442-Y452 HydrophobicContact CG2-CE2 3.82Å; R450-Y452 HydrophobicContact CB-CD2 4.33Å; R450-Y452 HydrophobicContact CB-CE2 3.46Å; R450-Y452 VanDerWaalsContact CB-CE2 3.46Å; R450-Y452 WeakPolarHBondContact CD-OH 3.41Å; R450-Y452 WeakPolarHBondContact O-CD2 3.34Å; R450-Y452 WeakPolarHBondContact O-CE2 3.4Å; Y452-Q458 VanDerWaalsContact CA-O 3.25Å; Y452-Q458 WeakPolarHBondContact CA-O 3.27Å; Y452-E459 HydrophobicContact CD1-CB 4.12Å; Y452-E459 HydrophobicContact CE1-CB 4.07Å; Y452-E459 HydrophobicContact CE1-CG 4.47Å
453	D	87.6	Confident	90.1	Very high	35 Å²	35	37.3 Å²	37.3	19%	0.187	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.3	169.7	-174.3	-97.3	0	0	0	110.5	A455 T456 G457 Q458 L460	D453-A455 WeakPolarHBondContact OD1-CA 3.41Å; D453-A455 WeakPolarHBondContact OD1-CB 3.48Å; D453-A455 PolarHBondContact OD1-N 3.33Å; D453-T456 VanDerWaalsContact CB-OG1 3.31Å; D453-T456 WeakPolarHBondContact CB-OG1 3.43Å; D453-T456 VanDerWaalsContact CG-OG1 3.31Å; D453-T456 PolarHBondContact OD1-N 3.19Å; D453-T456 PolarHBondContact OD1-OG1 2.69Å; D453-G457 WeakPolarHBondContact O-CA 3.13Å; D453-G457 PolarHBondContact O-N 3.28Å; D453-Q458 PolarHBondContact N-O 3.22Å; D453-L460 HydrophobicContact CB-CD1 3.91Å; D453-L460 HydrophobicContact CB-CD2 4.15Å; D453-L460 HydrophobicContact CB-CG 4.08Å
454	L	86	Confident	89.9	Confident	13 Å²	13	41.3 Å²	41.3	7%	0.068	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.2	-177.3	-71.8	171.7	0	0	0	113.9	L298 M340 F398 F433 E438 L440	L298-L454 HydrophobicContact CD2-CD2 4.11Å; M340-L454 VanDerWaalsContact CE-O 3.27Å; M340-L454 WeakPolarHBondContact CE-O 3.48Å; F398-L454 HydrophobicContact CZ-CD2 4.1Å; F433-L454 HydrophobicContact CD1-CD1 4.2Å; F433-L454 HydrophobicContact CE1-CD1 4.44Å; F433-L454 HydrophobicContact CE1-CD2 4.43Å; E438-L454 WeakPolarHBondContact O-CB 3.36Å; E438-L454 WeakPolarHBondContact O-CG 3.39Å; E438-L454 PolarHBondContact O-N 2.98Å; L440-L454 HydrophobicContact CB-CD2 4.04Å; L440-L454 HydrophobicContact CD2-CD2 3.7Å; L440-L454 HydrophobicContact CG-CD2 4.01Å
455	A	82.7	Confident	89.7	Confident	47 Å²	47	43.2 Å²	43.2	39%	0.388	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-30.5	-178.3	0	0	0	0	0	112.8	M340 D453	M340-A455 CarbonylContact C-O 3.56Å; M340-A455 WeakPolarHBondContact CB-O 3.35Å; M340-A455 VanDerWaalsContact O-O 3.08Å; D453-A455 WeakPolarHBondContact OD1-CA 3.41Å; D453-A455 WeakPolarHBondContact OD1-CB 3.48Å; D453-A455 PolarHBondContact OD1-N 3.33Å
456	T	79.9	Confident	89.8	Confident	56 Å²	56	39 Å²	39	34%	0.344	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-8.3	-175.8	61.4	0	0	0	0	113.5	L342 D453 Q458	L342-T456 WeakPolarHBondContact CD2-O 3.21Å; L342-T456 VanDerWaalsContact CG-O 3.31Å; L342-T456 WeakPolarHBondContact CG-O 3.45Å; D453-T456 VanDerWaalsContact CB-OG1 3.31Å; D453-T456 WeakPolarHBondContact CB-OG1 3.43Å; D453-T456 VanDerWaalsContact CG-OG1 3.31Å; D453-T456 PolarHBondContact OD1-N 3.19Å; D453-T456 PolarHBondContact OD1-OG1 2.69Å; T456-Q458 PolarHBondContact O-N 3.34Å
457	G	78.8	Confident	89.9	Confident	15 Å²	15	41.9 Å²	41.9	16%	0.155	24%	0.235	C	C	.	.			trans	61.8	3.7	-178.7	0	0	0	0	0	115.9	D453	D453-G457 WeakPolarHBondContact O-CA 3.13Å; D453-G457 PolarHBondContact O-N 3.28Å
458	Q	81.8	Confident	90	Very high	78 Å²	78	38.7 Å²	38.7	36%	0.364	23%	0.227	S	C	.	.			trans	-69.7	142	-178.7	-62.9	-61.2	-37.8	0	0	110.8	Y452 D453 T456 L460	Y452-Q458 VanDerWaalsContact CA-O 3.25Å; Y452-Q458 WeakPolarHBondContact CA-O 3.27Å; D453-Q458 PolarHBondContact N-O 3.22Å; T456-Q458 PolarHBondContact O-N 3.34Å; Q458-L460 PolarHBondContact O-N 2.69Å
459	E	88.6	Confident	90.1	Very high	63 Å²	63	39.3 Å²	39.3	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.2	165.8	-174.8	178.7	162.8	0	0	108.8	R450 Y452 S462	R450-E459 HydrophobicContact CB-CG 4.33Å; R450-E459 VanDerWaalsContact CD-CD 3.45Å; R450-E459 WeakPolarHBondContact CD-OE1 3.36Å; R450-E459 VanDerWaalsContact CD-OE2 3.27Å; R450-E459 WeakPolarHBondContact CD-OE2 3.43Å; R450-E459 HydrophobicContact CG-CG 4.4Å; R450-E459 WeakPolarHBondContact CG-OE1 3.47Å; R450-E459 IonicContact NE-OE1 3.88Å; R450-E459 IonicContact NE-OE2 3.8Å; R450-E459 PolarHBondContact NE-OE2 2.74Å; Y452-E459 HydrophobicContact CD1-CB 4.12Å; Y452-E459 HydrophobicContact CE1-CB 4.07Å; Y452-E459 HydrophobicContact CE1-CG 4.47Å; E459-S462 WeakPolarHBondContact OE1-CB 3.46Å; E459-S462 PolarHBondContact OE1-OG 2.87Å
460	L	89.3	Confident	90.2	Very high	77 Å²	77	39.4 Å²	39.4	40%	0.403	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-54.2	-177.6	-65.6	177.8	0	0	0	111.8	Q439 T451 D453 Q458	Q439-L460 HydrophobicContact CG-CD1 3.69Å; T451-L460 PolarHBondContact O-N 2.87Å; D453-L460 HydrophobicContact CB-CD1 3.91Å; D453-L460 HydrophobicContact CB-CD2 4.15Å; D453-L460 HydrophobicContact CB-CG 4.08Å; Q458-L460 PolarHBondContact O-N 2.69Å
461	E	90.5	Very high	90.4	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128.8	-178.8	-57.7	-172.9	-138.8	0	0	111.2	T451 F497 M502	T451-E461 PolarHBondContact N-O 3.08Å; T451-E461 WeakPolarHBondContact OG1-CB 3.34Å; T451-E461 PolarHBondContact OG1-N 3.45Å; T451-E461 PolarHBondContact OG1-O 3.38Å; E461-F497 WeakPolarHBondContact OE2-CE1 3.38Å; E461-M502 WeakPolarHBondContact OE2-CB 3.3Å
462	S	91.1	Very high	90.7	Very high	49 Å²	49	40.2 Å²	40.2	34%	0.343	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.6	171.4	-29.2	0	0	0	0	110.5	G449 E459 T464	G449-S462 CarbonylContact O-C 3.51Å; E459-S462 WeakPolarHBondContact OE1-CB 3.46Å; E459-S462 PolarHBondContact OE1-OG 2.87Å; S462-T464 VanDerWaalsContact C-N 3.31Å; S462-T464 PolarHBondContact O-N 3.18Å
463	L	94.3	Very high	90.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	77.4	-178.1	-47.9	-171.9	0	0	0	110	V441 G449 T451 V483 T485 W495 F497 M502	V441-L463 HydrophobicContact CG2-CD1 3.83Å; G449-L463 PolarHBondContact N-O 3.33Å; G449-L463 PolarHBondContact O-N 3.41Å; T451-L463 HydrophobicContact CG2-CD1 4.5Å; T451-L463 HydrophobicContact CG2-CD2 4.29Å; L463-V483 HydrophobicContact CD1-CG1 4.38Å; L463-T485 HydrophobicContact CD1-CG2 4.33Å; L463-W495 VanDerWaalsContact C-CH2 3.47Å; L463-W495 HydrophobicContact CB-CD2 4.02Å; L463-W495 HydrophobicContact CB-CE3 4.05Å; L463-W495 HydrophobicContact CB-CH2 3.87Å; L463-W495 HydrophobicContact CB-CZ2 3.82Å; L463-W495 HydrophobicContact CB-CZ3 3.97Å; L463-W495 HydrophobicContact CD1-CD2 4.2Å; L463-W495 HydrophobicContact CD1-CG 4.11Å; L463-W495 HydrophobicContact CD2-CD2 4.22Å; L463-W495 HydrophobicContact CD2-CE3 4.06Å; L463-W495 HydrophobicContact CD2-CG 4.5Å; L463-W495 HydrophobicContact CG-CD2 4.37Å; L463-F497 HydrophobicContact CD2-CE1 4.18Å; L463-F497 HydrophobicContact CD2-CZ 3.65Å; L463-M502 HydrophobicContact CD2-SD 3.78Å
464	T	93	Very high	91.3	Very high	83 Å²	83	39.4 Å²	39.4	51%	0.509	23%	0.229	S	C	.	.			trans	-84.2	144.6	-169.7	53.7	0	0	0	0	114.4	L448 S462 W495	L448-T464 HydrophobicContact CD2-CG2 3.69Å; S462-T464 VanDerWaalsContact C-N 3.31Å; S462-T464 PolarHBondContact O-N 3.18Å; T464-W495 WeakPolarHBondContact O-CH2 3.25Å
465	G	91.5	Very high	91.7	Very high	40 Å²	40	39.1 Å²	39.1	41%	0.412	23%	0.228	S	C	.	.			trans	123.3	0.1	157.5	0	0	0	0	0	116.2	R493	G465-R493 VanDerWaalsContact C-CZ 3.41Å; G465-R493 PolarHBondContact O-NH1 3.15Å; G465-R493 PolarHBondContact O-NH2 3.06Å
466	H	95.6	Very high	92	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.042	21%	0.21	C	C	.	.			trans	-64.9	141.8	164.3	-85.1	-73.6	0	0	0	110.3	L470 T485 S487 D489 T491 R493	H466-L470 HydrophobicContact CB-CD2 3.7Å; H466-L470 WeakPolarHBondContact CD2-CD2 3.43Å; H466-T485 PolarHBondContact NE2-OG1 3.2Å; H466-S487 WeakPolarHBondContact ND1-CB 3.33Å; H466-D489 WeakPolarHBondContact CA-OD2 3.23Å; H466-D489 WeakPolarHBondContact CB-OD2 3.29Å; H466-D489 IonicContact CE1-OD1 2.75Å; H466-D489 IonicContact CE1-OD2 3.67Å; H466-D489 IonicContact CG-OD2 3.8Å; H466-D489 IonicContact ND1-OD1 3.59Å; H466-D489 PolarHBondContact ND1-OD1 2.75Å; H466-D489 IonicContact ND1-OD2 3.02Å; H466-D489 PolarHBondContact ND1-OD2 3.34Å; H466-T491 PolarHBondContact CE1-OG1 3.3Å; H466-T491 VanDerWaalsContact CE1-OG1 3.3Å; H466-T491 PolarHBondContact ND1-OG1 3.4Å; H466-R493 PolarHBondContact ND1-NE 2.73Å; H466-R493 WeakPolarHBondContact NE2-CD 3.36Å; H466-R493 WeakPolarHBondContact NE2-CG 3.36Å
467	D	95	Very high	92.1	Very high	91 Å²	91	35.6 Å²	35.6	49%	0.487	20%	0.203	S	C	.	.	S	Bend	trans	-88.8	-14.7	-174.3	-68.1	-70.7	0	0	0	113.2	R447 D489	R447-D467 WeakPolarHBondContact CD-O 3.17Å; R447-D467 PolarHBondContact NE-O 2.95Å; R447-D467 PolarHBondContact NH1-O 2.76Å; D467-D489 HydrophobicContact CB-CB 4.09Å; D467-D489 PolarHBondContact N-OD2 3.11Å
468	D	96.3	Very high	91.9	Very high	53 Å²	53	35.6 Å²	35.6	28%	0.283	20%	0.202	S	C	.	.	S	Bend	trans	-145.7	174.4	179.6	-159.2	1.8	0	0	0	111.6	S487 R488 D489	D468-S487 PolarHBondContact O-OG 3.11Å; D468-R488 HydrophobicContact CB-CB 3.91Å; D468-R488 WeakPolarHBondContact OD2-CB 3.27Å; D468-D489 HydrophobicContact CB-CB 4.13Å
469	H	96.3	Very high	91.6	Very high	48 Å²	48	32.1 Å²	32.1	22%	0.222	19%	0.188	C	C	.	.			trans	-54.8	138.4	-167.3	-60	23.3	0	0	0	112	W445 S487 R488	W445-H469 HydrophobicContact CB-CB 4.25Å; W445-H469 VanDerWaalsContact CB-CD2 3.49Å; W445-H469 WeakPolarHBondContact CB-CD2 3.1Å; W445-H469 AromaticContact CD2-CD2 3.57Å; W445-H469 AromaticContact CE3-CD2 3.72Å; W445-H469 HydrophobicContact CG-CB 4.17Å; W445-H469 AromaticContact CG-CD2 3.48Å; W445-H469 VanDerWaalsContact CG-CD2 3.48Å; W445-H469 PolarHBondContact O-ND1 3.26Å; H469-S487 WeakPolarHBondContact O-CA 3.5Å; H469-S487 PolarHBondContact O-OG 3.16Å; H469-R488 HydrophobicContact CB-CG 4.37Å; H469-R488 PolarHBondContact O-N 3.46Å
470	L	98	Very high	91.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.3	172.8	-54.1	-164.9	0	0	0	110.5	S429 A443 S444 L448 H466 T485 S486	S429-L470 WeakPolarHBondContact CB-O 3.3Å; S429-L470 VanDerWaalsContact OG-C 3.3Å; S429-L470 PolarHBondContact OG-O 3.39Å; A443-L470 HydrophobicContact CB-CB 3.74Å; A443-L470 HydrophobicContact CB-CD1 3.87Å; A443-L470 HydrophobicContact CB-CG 4.46Å; S444-L470 WeakPolarHBondContact O-CB 3.48Å; S444-L470 PolarHBondContact O-N 3.3Å; S444-L470 VanDerWaalsContact O-N 3.16Å; L448-L470 VanDerWaalsContact C-CD1 3.45Å; L448-L470 WeakPolarHBondContact O-CD1 3.14Å; H466-L470 HydrophobicContact CB-CD2 3.7Å; H466-L470 WeakPolarHBondContact CD2-CD2 3.43Å; L470-T485 HydrophobicContact CD1-CG2 4.1Å; L470-S486 CarbonylContact C-O 3.54Å; L470-S486 VanDerWaalsContact CA-O 3.31Å; L470-S486 WeakPolarHBondContact CA-O 3.47Å
471	T	98	Very high	91.5	Very high	22 Å²	22	29.9 Å²	29.9	14%	0.135	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-33.4	-175.8	49.4	0	0	0	0	113.4	S486 R488 T513 V514 R560	T471-S486 PolarHBondContact N-O 3.17Å; T471-S486 VanDerWaalsContact OG1-CB 3.27Å; T471-S486 WeakPolarHBondContact OG1-CB 3.36Å; T471-S486 PolarHBondContact OG1-O 2.79Å; T471-S486 VanDerWaalsContact OG1-O 3.12Å; T471-R488 HydrophobicContact CG2-CG 3.91Å; T471-T513 HydrophobicContact CG2-CG2 3.77Å; T471-V514 WeakPolarHBondContact CB-O 3.27Å; T471-V514 PolarHBondContact OG1-O 3.25Å; T471-R560 PolarHBondContact O-NH1 3.4Å; T471-R560 VanDerWaalsContact O-NH1 3.09Å
472	D	98	Very high	91.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	151.1	-179.4	-156.6	38.2	0	0	0	109.7	R474 S486 T516 R560	D472-R474 IonicContact OD1-NE 3.52Å; D472-R474 IonicContact OD1-NH2 3.71Å; D472-R474 IonicContact OD2-CZ 3.28Å; D472-R474 IonicContact OD2-NE 3.23Å; D472-R474 PolarHBondContact OD2-NE 3.15Å; D472-R474 IonicContact OD2-NH2 3.65Å; D472-S486 PolarHBondContact O-N 3.05Å; D472-T516 VanDerWaalsContact OD2-CB 3.31Å; D472-T516 WeakPolarHBondContact OD2-CB 3.12Å; D472-T516 PolarHBondContact OD2-OG1 2.74Å; D472-R560 IonicContact OD1-CZ 2.87Å; D472-R560 IonicContact OD1-NH1 3.8Å; D472-R560 PolarHBondContact OD1-NH1 2.94Å
473	V	97.6	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.4	166.7	62.9	0	0	0	0	109.4	A430 V441 A443 V483 V484 T485	A430-V473 HydrophobicContact CB-CG1 3.96Å; V441-V473 HydrophobicContact CB-CG2 4.46Å; V441-V473 HydrophobicContact CG1-CG1 4.25Å; V441-V473 HydrophobicContact CG1-CG2 3.58Å; V441-V473 HydrophobicContact CG2-CG2 4.01Å; A443-V473 HydrophobicContact CB-CB 3.81Å; A443-V473 HydrophobicContact CB-CG1 3.72Å; V473-V483 HydrophobicContact CG2-CG1 3.37Å; V473-V484 WeakPolarHBondContact CA-O 3.31Å; V473-T485 HydrophobicContact CB-CG2 4.36Å; V473-T485 HydrophobicContact CG2-CG2 3.94Å
474	R	95.7	Very high	91.9	Very high	28 Å²	28	25 Å²	25	11%	0.106	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.3	-177.3	-60.8	-70.9	-178.5	153	-10.4	110.1	E236 R279 D432 D472 V483 V484 T517 Q518	E236-R474 IonicContact OE1-CZ 2.77Å; E236-R474 IonicContact OE1-NH2 3.23Å; E236-R474 PolarHBondContact OE1-NH2 3.07Å; R279-R474 VanDerWaalsContact CZ-NH1 3.28Å; R279-R474 VanDerWaalsContact NH2-NH2 3.12Å; D432-R474 WeakPolarHBondContact OD2-CA 3.36Å; D472-R474 IonicContact OD1-NE 3.52Å; D472-R474 IonicContact OD1-NH2 3.71Å; D472-R474 IonicContact OD2-CZ 3.28Å; D472-R474 IonicContact OD2-NE 3.23Å; D472-R474 PolarHBondContact OD2-NE 3.15Å; D472-R474 IonicContact OD2-NH2 3.65Å; R474-V483 CarbonylContact O-C 3.56Å; R474-V483 WeakPolarHBondContact O-CA 3.31Å; R474-V484 HydrophobicContact CB-CG1 3.92Å; R474-V484 PolarHBondContact N-O 3.26Å; R474-V484 PolarHBondContact O-N 2.78Å; R474-T517 VanDerWaalsContact CG-O 3.27Å; R474-T517 WeakPolarHBondContact CG-O 3.27Å; R474-Q518 HydrophobicContact CB-CG 4.45Å; R474-Q518 HydrophobicContact CG-CG 3.71Å
475	C	93.4	Very high	92.2	Very high	7 Å²	7	21 Å²	21	5%	0.047	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	157.2	176.7	-60.1	0	0	0	0	112.2	D432 F433 Y435 V441 P477 F519	D432-C475 PolarHBondContact OD2-N 2.95Å; F433-C475 VanDerWaalsContact C-SG 3.6Å; F433-C475 WeakPolarHBondContact O-CB 3.37Å; F433-C475 PolarHBondContact O-SG 3.25Å; Y435-C475 HydrophobicContact CD2-CB 3.82Å; Y435-C475 HydrophobicContact CE2-CB 3.96Å; V441-C475 VanDerWaalsContact CG1-SG 3.56Å; C475-P477 WeakPolarHBondContact O-CD 3.43Å; C475-F519 WeakPolarHBondContact O-CD2 3.3Å
476	E	90.3	Very high	92.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.			trans	-75.6	117.3	177.7	-162.1	-69.7	124.1	0	0	110	Y435 G478 G479 F480 V482 F519 G523 P525	Y435-E476 WeakPolarHBondContact CB-O 3.18Å; Y435-E476 VanDerWaalsContact CD2-O 3.23Å; Y435-E476 WeakPolarHBondContact CD2-O 3.19Å; E476-G478 VanDerWaalsContact C-N 3.35Å; E476-G478 PolarHBondContact O-N 2.86Å; E476-G478 WeakPolarHBondContact OE1-CA 3.35Å; E476-G478 PolarHBondContact OE1-N 3.02Å; E476-G478 VanDerWaalsContact OE2-C 3.29Å; E476-G478 WeakPolarHBondContact OE2-CA 3.46Å; E476-G478 PolarHBondContact OE2-N 3.3Å; E476-G478 VanDerWaalsContact OE2-N 3.07Å; E476-G479 PolarHBondContact OE2-N 3.12Å; E476-F480 WeakPolarHBondContact OE2-CD2 3.27Å; E476-F480 PolarHBondContact OE2-N 2.96Å; E476-F480 VanDerWaalsContact OE2-N 3.13Å; E476-V482 HydrophobicContact CB-CB 4.04Å; E476-V482 PolarHBondContact N-O 2.63Å; E476-F519 HydrophobicContact CB-CD1 4.16Å; E476-F519 HydrophobicContact CB-CD2 4.1Å; E476-F519 HydrophobicContact CB-CE1 4Å; E476-F519 HydrophobicContact CB-CE2 3.95Å; E476-F519 HydrophobicContact CB-CG 4.22Å; E476-F519 HydrophobicContact CB-CZ 3.91Å; E476-F519 HydrophobicContact CG-CD1 3.85Å; E476-F519 HydrophobicContact CG-CD2 4.47Å; E476-F519 HydrophobicContact CG-CE1 4.03Å; E476-F519 HydrophobicContact CG-CG 4.09Å; E476-F519 HydrophobicContact CG-CZ 4.45Å; E476-F519 VanDerWaalsContact N-CE2 3.33Å; E476-G523 PolarHBondContact OE1-N 3.05Å; E476-P525 HydrophobicContact CG-CB 4.16Å
477	P	81.8	Confident	92.6	Very high	29 Å²	29	18.7 Å²	18.7	19%	0.188	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.1	-169.6	29.7	-33.7	0	0	0	114.1	C475 G479 P522 Y566	C475-P477 WeakPolarHBondContact O-CD 3.43Å; P477-G479 PolarHBondContact O-N 3.17Å; P477-P522 HydrophobicContact CG-CB 4.4Å; P477-Y566 HydrophobicContact CB-CD1 4.28Å; P477-Y566 HydrophobicContact CB-CE1 4.4Å; P477-Y566 HydrophobicContact CG-CD1 3.66Å; P477-Y566 HydrophobicContact CG-CE1 3.33Å
478	G	73.6	Confident	92.8	Very high	14 Å²	14	18.9 Å²	18.9	14%	0.144	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.9	173.7	0	0	0	0	0	114.7	E476 Y572	E476-G478 VanDerWaalsContact C-N 3.35Å; E476-G478 PolarHBondContact O-N 2.86Å; E476-G478 WeakPolarHBondContact OE1-CA 3.35Å; E476-G478 PolarHBondContact OE1-N 3.02Å; E476-G478 VanDerWaalsContact OE2-C 3.29Å; E476-G478 WeakPolarHBondContact OE2-CA 3.46Å; E476-G478 PolarHBondContact OE2-N 3.3Å; E476-G478 VanDerWaalsContact OE2-N 3.07Å; G478-Y572 PolarHBondContact O-OH 3.43Å
479	G	75.5	Confident	92.9	Very high	6 Å²	6	17.7 Å²	17.7	6%	0.062	9%	0.089	C	C	.	.	S	Bend	trans	90.5	9.6	174.1	0	0	0	0	0	115.1	G436 E476 P477 Y572	G436-G479 WeakPolarHBondContact CA-O 3.49Å; E476-G479 PolarHBondContact OE2-N 3.12Å; P477-G479 PolarHBondContact O-N 3.17Å; G479-Y572 WeakPolarHBondContact CA-OH 3.46Å
480	F	84.6	Confident	92.9	Very high	74 Å²	74	16.5 Å²	16.5	33%	0.325	9%	0.086	S	C	.	.			trans	-76.5	134.3	162.7	-64.8	-63.3	0	0	0	109.6	Y435 E476 V482 R498 G523 P525	Y435-F480 CarbonylContact O-C 3.11Å; E476-F480 WeakPolarHBondContact OE2-CD2 3.27Å; E476-F480 PolarHBondContact OE2-N 2.96Å; E476-F480 VanDerWaalsContact OE2-N 3.13Å; F480-V482 HydrophobicContact CB-CG2 3.85Å; F480-V482 PolarHBondContact O-N 2.84Å; F480-R498 HydrophobicContact CB-CG 4.3Å; F480-R498 HydrophobicContact CD1-CG 4.15Å; F480-G523 WeakPolarHBondContact CE2-O 3.24Å; F480-P525 HydrophobicContact CD2-CG 4.41Å
481	P	91.3	Very high	92.9	Very high	18 Å²	18	17 Å²	17	12%	0.117	9%	0.089	C	C	.	.			trans	-73.2	77.9	172.4	31.4	-36.7	0	0	0	109.3	V434 Y435 R437 F497 R498	V434-P481 HydrophobicContact CG1-CB 4.04Å; Y435-P481 WeakPolarHBondContact O-CA 3.27Å; R437-P481 HydrophobicContact CG-CB 3.92Å; P481-F497 HydrophobicContact CB-CB 4.29Å; P481-F497 WeakPolarHBondContact O-CD2 3.36Å; P481-F497 PolarHBondContact O-N 2.87Å; P481-R498 HydrophobicContact CG-CG 4.19Å
482	V	93.2	Very high	92.9	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.5	-179.5	-175.7	0	0	0	0	107.9	E476 F480 L494 W495 D496 R498 F519 P525	E476-V482 HydrophobicContact CB-CB 4.04Å; E476-V482 PolarHBondContact N-O 2.63Å; F480-V482 HydrophobicContact CB-CG2 3.85Å; F480-V482 PolarHBondContact O-N 2.84Å; V482-L494 HydrophobicContact CG1-CD1 3.87Å; V482-L494 HydrophobicContact CG1-CD2 3.82Å; V482-L494 HydrophobicContact CG1-CG 3.72Å; V482-W495 CarbonylContact C-O 3.55Å; V482-W495 VanDerWaalsContact CA-O 3.27Å; V482-W495 WeakPolarHBondContact CA-O 3.41Å; V482-W495 WeakPolarHBondContact CG1-O 3.45Å; V482-D496 HydrophobicContact CG2-CB 4.35Å; V482-R498 HydrophobicContact CG2-CG 4.22Å; V482-F519 HydrophobicContact CB-CZ 4.44Å; V482-F519 HydrophobicContact CG1-CE1 4.03Å; V482-F519 HydrophobicContact CG1-CZ 3.9Å; V482-P525 HydrophobicContact CB-CB 4.49Å; V482-P525 HydrophobicContact CG1-CB 4.25Å; V482-P525 HydrophobicContact CG2-CB 4.3Å
483	V	95.2	Very high	92.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.2	-175.3	179.2	0	0	0	0	108.7	V434 V441 L463 V473 R474 L494 W495 F497	V434-V483 HydrophobicContact CG1-CG2 4.31Å; V434-V483 HydrophobicContact CG2-CG2 3.94Å; V441-V483 HydrophobicContact CG1-CG1 4Å; V441-V483 HydrophobicContact CG1-CG2 4.35Å; V441-V483 HydrophobicContact CG2-CG1 4.23Å; L463-V483 HydrophobicContact CD1-CG1 4.38Å; V473-V483 HydrophobicContact CG2-CG1 3.37Å; R474-V483 CarbonylContact O-C 3.56Å; R474-V483 WeakPolarHBondContact O-CA 3.31Å; V483-L494 CarbonylContact O-C 3.59Å; V483-L494 WeakPolarHBondContact O-CA 3.27Å; V483-W495 HydrophobicContact CB-CB 4.33Å; V483-W495 PolarHBondContact N-O 3.13Å; V483-W495 PolarHBondContact O-N 2.67Å; V483-F497 HydrophobicContact CB-CE2 4.28Å; V483-F497 HydrophobicContact CG2-CE2 3.9Å
484	V	96.6	Very high	92.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.5	168	67.2	0	0	0	0	110.7	V473 R474 F492 R493 T517 F519 L528	V473-V484 WeakPolarHBondContact CA-O 3.31Å; R474-V484 HydrophobicContact CB-CG1 3.92Å; R474-V484 PolarHBondContact N-O 3.26Å; R474-V484 PolarHBondContact O-N 2.78Å; V484-F492 HydrophobicContact CG2-CB 4.3Å; V484-F492 HydrophobicContact CG2-CD2 3.86Å; V484-F492 HydrophobicContact CG2-CG 4.35Å; V484-R493 CarbonylContact C-O 3.57Å; V484-R493 VanDerWaalsContact CA-O 3.28Å; V484-R493 WeakPolarHBondContact CA-O 3.49Å; V484-R493 WeakPolarHBondContact CG2-O 3.48Å; V484-T517 HydrophobicContact CG1-CG2 4.32Å; V484-T517 VanDerWaalsContact CG1-O 3.32Å; V484-T517 WeakPolarHBondContact CG1-O 3.36Å; V484-T517 HydrophobicContact CG2-CG2 3.64Å; V484-F519 HydrophobicContact CB-CE2 4.28Å; V484-F519 HydrophobicContact CB-CZ 4.17Å; V484-F519 HydrophobicContact CG1-CD2 4.37Å; V484-F519 HydrophobicContact CG1-CE2 3.76Å; V484-F519 HydrophobicContact CG1-CZ 4.13Å; V484-L528 HydrophobicContact CG1-CD2 4.41Å; V484-L528 HydrophobicContact CG2-CD1 4.5Å
485	T	98.1	Very high	92.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.9	175	54	0	0	0	0	110.3	L463 H466 L470 V473 F492 R493 W495	L463-T485 HydrophobicContact CD1-CG2 4.33Å; H466-T485 PolarHBondContact NE2-OG1 3.2Å; L470-T485 HydrophobicContact CD1-CG2 4.1Å; V473-T485 HydrophobicContact CB-CG2 4.36Å; V473-T485 HydrophobicContact CG2-CG2 3.94Å; T485-F492 CarbonylContact O-C 3.58Å; T485-F492 WeakPolarHBondContact O-CA 3.41Å; T485-F492 VanDerWaalsContact O-CB 3.3Å; T485-F492 WeakPolarHBondContact O-CB 3.31Å; T485-R493 PolarHBondContact N-O 3.47Å; T485-R493 PolarHBondContact O-N 3.49Å; T485-R493 PolarHBondContact OG1-O 3.49Å; T485-W495 PolarHBondContact OG1-NE1 3.3Å
486	S	98.4	Very high	92.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.5	173.7	-58.9	0	0	0	0	110.2	L470 T471 D472 T517	L470-S486 CarbonylContact C-O 3.54Å; L470-S486 VanDerWaalsContact CA-O 3.31Å; L470-S486 WeakPolarHBondContact CA-O 3.47Å; T471-S486 PolarHBondContact N-O 3.17Å; T471-S486 VanDerWaalsContact OG1-CB 3.27Å; T471-S486 WeakPolarHBondContact OG1-CB 3.36Å; T471-S486 PolarHBondContact OG1-O 2.79Å; T471-S486 VanDerWaalsContact OG1-O 3.12Å; D472-S486 PolarHBondContact O-N 3.05Å; S486-T517 VanDerWaalsContact OG-CB 3.27Å; S486-T517 WeakPolarHBondContact OG-CB 3.46Å; S486-T517 PolarHBondContact OG-N 3.45Å; S486-T517 PolarHBondContact OG-OG1 3.45Å
487	S	98.4	Very high	92.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.7	-177.3	174	0	0	0	0	113.9	H466 D468 H469 D489 C490 T491 V514	H466-S487 WeakPolarHBondContact ND1-CB 3.33Å; D468-S487 PolarHBondContact O-OG 3.11Å; H469-S487 WeakPolarHBondContact O-CA 3.5Å; H469-S487 PolarHBondContact O-OG 3.16Å; S487-D489 WeakPolarHBondContact CB-OD1 3.1Å; S487-D489 PolarHBondContact O-N 3.4Å; S487-D489 VanDerWaalsContact OG-CG 3.29Å; S487-D489 PolarHBondContact OG-N 3.38Å; S487-D489 PolarHBondContact OG-OD1 3.27Å; S487-C490 PolarHBondContact O-N 2.78Å; S487-T491 PolarHBondContact N-O 2.96Å; S487-V514 PolarHBondContact O-N 3.06Å
488	R	98.3	Very high	93.1	Very high	96 Å²	96	21.5 Å²	21.5	36%	0.362	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.4	165.4	-65.3	-171.8	-177.9	177.5	1.9	113.5	D468 H469 T471 C490 T513	D468-R488 HydrophobicContact CB-CB 3.91Å; D468-R488 WeakPolarHBondContact OD2-CB 3.27Å; H469-R488 HydrophobicContact CB-CG 4.37Å; H469-R488 PolarHBondContact O-N 3.46Å; T471-R488 HydrophobicContact CG2-CG 3.91Å; R488-C490 PolarHBondContact O-N 2.91Å; R488-C490 PolarHBondContact O-SG 3.39Å; R488-T513 HydrophobicContact CB-CG2 4.42Å; R488-T513 HydrophobicContact CG-CG2 3.85Å
489	D	97.7	Very high	93.7	Very high	27 Å²	27	25.6 Å²	25.6	14%	0.144	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	4.6	173.5	74.7	10.7	0	0	0	114.3	H466 D467 D468 S487 T491 R493	H466-D489 WeakPolarHBondContact CA-OD2 3.23Å; H466-D489 WeakPolarHBondContact CB-OD2 3.29Å; H466-D489 IonicContact CE1-OD1 2.75Å; H466-D489 IonicContact CE1-OD2 3.67Å; H466-D489 IonicContact CG-OD2 3.8Å; H466-D489 IonicContact ND1-OD1 3.59Å; H466-D489 PolarHBondContact ND1-OD1 2.75Å; H466-D489 IonicContact ND1-OD2 3.02Å; H466-D489 PolarHBondContact ND1-OD2 3.34Å; D467-D489 HydrophobicContact CB-CB 4.09Å; D467-D489 PolarHBondContact N-OD2 3.11Å; D468-D489 HydrophobicContact CB-CB 4.13Å; S487-D489 WeakPolarHBondContact CB-OD1 3.1Å; S487-D489 PolarHBondContact O-N 3.4Å; S487-D489 VanDerWaalsContact OG-CG 3.29Å; S487-D489 PolarHBondContact OG-N 3.38Å; S487-D489 PolarHBondContact OG-OD1 3.27Å; D489-T491 VanDerWaalsContact CG-OG1 3.3Å; D489-T491 PolarHBondContact O-N 2.73Å; D489-T491 WeakPolarHBondContact OD1-CA 3.5Å; D489-T491 VanDerWaalsContact OD1-CB 3.28Å; D489-T491 WeakPolarHBondContact OD1-CB 3.42Å; D489-T491 PolarHBondContact OD1-N 2.99Å; D489-T491 PolarHBondContact OD1-OG1 2.96Å; D489-T491 PolarHBondContact OD2-OG1 2.64Å; D489-R493 IonicContact OD2-NH2 3.14Å
490	C	98	Very high	93.9	Very high	24 Å²	24	31.9 Å²	31.9	16%	0.162	16%	0.157	C	C	.	.	S	Bend	trans	70.5	9.7	178.3	-47.1	0	0	0	0	114.1	S487 R488 Q508 A509 H510 Q512 V514	S487-C490 PolarHBondContact O-N 2.78Å; R488-C490 PolarHBondContact O-N 2.91Å; R488-C490 PolarHBondContact O-SG 3.39Å; C490-Q508 PolarHBondContact O-NE2 3.29Å; C490-A509 PolarHBondContact O-N 3.5Å; C490-H510 WeakPolarHBondContact CB-O 3.24Å; C490-H510 PolarHBondContact O-N 2.59Å; C490-Q512 WeakPolarHBondContact SG-CA 3.41Å; C490-Q512 PolarHBondContact SG-O 3.43Å; C490-V514 VanDerWaalsContact C-CG2 3.49Å
491	T	97.6	Very high	93.7	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	159.5	173.4	78.1	0	0	0	0	112.5	H466 S487 D489 V506 Q507 V514	H466-T491 PolarHBondContact CE1-OG1 3.3Å; H466-T491 VanDerWaalsContact CE1-OG1 3.3Å; H466-T491 PolarHBondContact ND1-OG1 3.4Å; S487-T491 PolarHBondContact N-O 2.96Å; D489-T491 VanDerWaalsContact CG-OG1 3.3Å; D489-T491 PolarHBondContact O-N 2.73Å; D489-T491 WeakPolarHBondContact OD1-CA 3.5Å; D489-T491 VanDerWaalsContact OD1-CB 3.28Å; D489-T491 WeakPolarHBondContact OD1-CB 3.42Å; D489-T491 PolarHBondContact OD1-N 2.99Å; D489-T491 PolarHBondContact OD1-OG1 2.96Å; D489-T491 PolarHBondContact OD2-OG1 2.64Å; T491-V506 HydrophobicContact CG2-CG1 4.49Å; T491-Q507 WeakPolarHBondContact CA-O 3.26Å; T491-Q507 VanDerWaalsContact CB-O 3.31Å; T491-Q507 WeakPolarHBondContact CB-O 3.26Å; T491-V514 WeakPolarHBondContact O-CG2 3.29Å
492	F	97.5	Very high	93.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	157.5	152.3	70.9	-106.4	0	0	0	109.6	V484 T485 Q507 A509 T517 L528 W540	V484-F492 HydrophobicContact CG2-CB 4.3Å; V484-F492 HydrophobicContact CG2-CD2 3.86Å; V484-F492 HydrophobicContact CG2-CG 4.35Å; T485-F492 CarbonylContact O-C 3.58Å; T485-F492 WeakPolarHBondContact O-CA 3.41Å; T485-F492 VanDerWaalsContact O-CB 3.3Å; T485-F492 WeakPolarHBondContact O-CB 3.31Å; F492-Q507 HydrophobicContact CD1-CB 4.18Å; F492-Q507 HydrophobicContact CD1-CG 4.4Å; F492-Q507 HydrophobicContact CD2-CB 4.02Å; F492-Q507 HydrophobicContact CE1-CB 3.76Å; F492-Q507 HydrophobicContact CE1-CG 3.64Å; F492-Q507 HydrophobicContact CE2-CB 3.58Å; F492-Q507 HydrophobicContact CE2-CG 4.2Å; F492-Q507 HydrophobicContact CG-CB 4.29Å; F492-Q507 HydrophobicContact CZ-CB 3.45Å; F492-Q507 VanDerWaalsContact CZ-CB 3.45Å; F492-Q507 HydrophobicContact CZ-CG 3.53Å; F492-Q507 PolarHBondContact N-O 3.35Å; F492-Q507 VanDerWaalsContact N-O 3.07Å; F492-Q507 PolarHBondContact O-N 3.06Å; F492-A509 HydrophobicContact CD1-CB 3.42Å; F492-A509 VanDerWaalsContact CD1-CB 3.42Å; F492-A509 HydrophobicContact CE1-CB 3.72Å; F492-T517 HydrophobicContact CB-CG2 4.19Å; F492-T517 WeakPolarHBondContact CB-OG1 3.34Å; F492-T517 HydrophobicContact CD1-CG2 3.93Å; F492-T517 HydrophobicContact CD2-CG2 4.18Å; F492-T517 HydrophobicContact CE1-CG2 4.33Å; F492-T517 HydrophobicContact CG-CG2 3.86Å; F492-L528 HydrophobicContact CD2-CD1 4.18Å; F492-L528 HydrophobicContact CE2-CD1 3.38Å; F492-L528 HydrophobicContact CZ-CD1 3.78Å; F492-W540 AromaticContact CE1-CD1 3.9Å; F492-W540 AromaticContact CE1-CD2 3.99Å; F492-W540 HydrophobicContact CE1-CD2 3.99Å; F492-W540 AromaticContact CE1-CE2 3.7Å; F492-W540 HydrophobicContact CE1-CG 4.15Å; F492-W540 HydrophobicContact CE1-CZ2 4.19Å; F492-W540 AromaticContact CE1-NE1 3.61Å; F492-W540 HydrophobicContact CZ-CD2 4.15Å; F492-W540 HydrophobicContact CZ-CG 4.09Å
493	R	97	Very high	93.3	Very high	29 Å²	29	37.9 Å²	37.9	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.5	175.5	-61.4	-178.5	-169.7	-145.4	0.2	110.1	G465 H466 V484 T485 D489 W495 V504 H505 V506	G465-R493 VanDerWaalsContact C-CZ 3.41Å; G465-R493 PolarHBondContact O-NH1 3.15Å; G465-R493 PolarHBondContact O-NH2 3.06Å; H466-R493 PolarHBondContact ND1-NE 2.73Å; H466-R493 WeakPolarHBondContact NE2-CD 3.36Å; H466-R493 WeakPolarHBondContact NE2-CG 3.36Å; V484-R493 CarbonylContact C-O 3.57Å; V484-R493 VanDerWaalsContact CA-O 3.28Å; V484-R493 WeakPolarHBondContact CA-O 3.49Å; V484-R493 WeakPolarHBondContact CG2-O 3.48Å; T485-R493 PolarHBondContact N-O 3.47Å; T485-R493 PolarHBondContact O-N 3.49Å; T485-R493 PolarHBondContact OG1-O 3.49Å; D489-R493 IonicContact OD2-NH2 3.14Å; R493-W495 HydrophobicContact CB-CZ2 3.71Å; R493-W495 HydrophobicContact CG-CZ2 4.35Å; R493-W495 PolarHBondContact O-NE1 2.86Å; R493-V504 HydrophobicContact CB-CG1 4.26Å; R493-H505 CarbonylContact C-O 3.47Å; R493-H505 VanDerWaalsContact CA-O 3.29Å; R493-H505 WeakPolarHBondContact CA-O 3.28Å; R493-V506 HydrophobicContact CG-CB 4.34Å; R493-V506 HydrophobicContact CG-CG1 4.1Å; R493-V506 HydrophobicContact CG-CG2 4.02Å
494	L	95.7	Very high	93.2	Very high	16 Å²	16	40.9 Å²	40.9	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.5	171.3	177.4	149.9	0	0	0	108.7	V482 V483 D496 V504 H505 F519 P525 L528 L542	V482-L494 HydrophobicContact CG1-CD1 3.87Å; V482-L494 HydrophobicContact CG1-CD2 3.82Å; V482-L494 HydrophobicContact CG1-CG 3.72Å; V483-L494 CarbonylContact O-C 3.59Å; V483-L494 WeakPolarHBondContact O-CA 3.27Å; L494-D496 HydrophobicContact CD2-CB 4.1Å; L494-V504 CarbonylContact O-C 3.54Å; L494-V504 WeakPolarHBondContact O-CA 3.35Å; L494-H505 HydrophobicContact CB-CB 4.42Å; L494-H505 PolarHBondContact N-O 3.19Å; L494-H505 PolarHBondContact O-N 2.84Å; L494-F519 HydrophobicContact CD1-CE1 4.02Å; L494-F519 HydrophobicContact CD1-CZ 4.45Å; L494-P525 VanDerWaalsContact CD1-O 3.29Å; L494-P525 WeakPolarHBondContact CD1-O 3.31Å; L494-L528 HydrophobicContact CD1-CD1 4.06Å; L494-L542 HydrophobicContact CD1-CD1 4.1Å
495	W	95.1	Very high	93	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.7	-177.4	-45.2	83.9	0	0	0	107.7	L463 T464 V482 V483 T485 R493 F497 M502 R503 V504	L463-W495 VanDerWaalsContact C-CH2 3.47Å; L463-W495 HydrophobicContact CB-CD2 4.02Å; L463-W495 HydrophobicContact CB-CE3 4.05Å; L463-W495 HydrophobicContact CB-CH2 3.87Å; L463-W495 HydrophobicContact CB-CZ2 3.82Å; L463-W495 HydrophobicContact CB-CZ3 3.97Å; L463-W495 HydrophobicContact CD1-CD2 4.2Å; L463-W495 HydrophobicContact CD1-CG 4.11Å; L463-W495 HydrophobicContact CD2-CD2 4.22Å; L463-W495 HydrophobicContact CD2-CE3 4.06Å; L463-W495 HydrophobicContact CD2-CG 4.5Å; L463-W495 HydrophobicContact CG-CD2 4.37Å; T464-W495 WeakPolarHBondContact O-CH2 3.25Å; V482-W495 CarbonylContact C-O 3.55Å; V482-W495 VanDerWaalsContact CA-O 3.27Å; V482-W495 WeakPolarHBondContact CA-O 3.41Å; V482-W495 WeakPolarHBondContact CG1-O 3.45Å; V483-W495 HydrophobicContact CB-CB 4.33Å; V483-W495 PolarHBondContact N-O 3.13Å; V483-W495 PolarHBondContact O-N 2.67Å; T485-W495 PolarHBondContact OG1-NE1 3.3Å; R493-W495 HydrophobicContact CB-CZ2 3.71Å; R493-W495 HydrophobicContact CG-CZ2 4.35Å; R493-W495 PolarHBondContact O-NE1 2.86Å; W495-F497 HydrophobicContact CB-CE2 3.69Å; W495-F497 HydrophobicContact CB-CZ 3.6Å; W495-M502 HydrophobicContact CE3-CE 4.22Å; W495-M502 HydrophobicContact CE3-CG 4.01Å; W495-M502 HydrophobicContact CE3-SD 3.42Å; W495-M502 HydrophobicContact CZ3-CE 3.93Å; W495-M502 HydrophobicContact CZ3-SD 3.7Å; W495-R503 CarbonylContact C-O 3.56Å; W495-R503 WeakPolarHBondContact CA-O 3.39Å; W495-V504 HydrophobicContact CD2-CG1 4.13Å; W495-V504 HydrophobicContact CD2-CG2 4.43Å; W495-V504 HydrophobicContact CE3-CB 4.21Å; W495-V504 HydrophobicContact CE3-CG1 3.78Å; W495-V504 HydrophobicContact CE3-CG2 3.44Å; W495-V504 VanDerWaalsContact CE3-CG2 3.44Å; W495-V504 HydrophobicContact CH2-CG1 4.04Å; W495-V504 HydrophobicContact CZ2-CG1 4.37Å; W495-V504 HydrophobicContact CZ3-CB 4.29Å; W495-V504 HydrophobicContact CZ3-CG1 3.74Å; W495-V504 HydrophobicContact CZ3-CG2 3.5Å
496	D	92.6	Very high	92.9	Very high	19 Å²	19	47.6 Å²	47.6	10%	0.102	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.1	-175.8	175.8	10.3	0	0	0	109.9	V482 L494 R498 R503	V482-D496 HydrophobicContact CG2-CB 4.35Å; L494-D496 HydrophobicContact CD2-CB 4.1Å; D496-R498 VanDerWaalsContact CG-NE 3.35Å; D496-R498 VanDerWaalsContact OD1-CB 3.23Å; D496-R498 WeakPolarHBondContact OD1-CB 3.21Å; D496-R498 WeakPolarHBondContact OD1-CG 3.16Å; D496-R498 IonicContact OD1-CZ 2.78Å; D496-R498 PolarHBondContact OD1-N 2.73Å; D496-R498 IonicContact OD1-NE 2.67Å; D496-R498 PolarHBondContact OD1-NE 2.9Å; D496-R498 IonicContact OD1-NH2 2.67Å; D496-R498 IonicContact OD2-CZ 3.17Å; D496-R498 IonicContact OD2-NE 3.21Å; D496-R498 PolarHBondContact OD2-NE 3.05Å; D496-R498 VanDerWaalsContact OD2-NE 3.17Å; D496-R498 IonicContact OD2-NH2 2.67Å; D496-R498 PolarHBondContact OD2-NH2 3.22Å; D496-R503 HydrophobicContact CB-CB 4.22Å; D496-R503 PolarHBondContact N-O 3.03Å; D496-R503 PolarHBondContact O-N 3.43Å; D496-R503 VanDerWaalsContact O-N 3.07Å
497	F	91.1	Very high	92.7	Very high	5 Å²	5	48 Å²	48	2%	0.022	25%	0.25	C	S	.	.			trans	-113.8	20.7	-178.4	-43.7	-88	0	0	0	112.3	R437 E461 L463 P481 V483 W495 Q499 M502	R437-F497 VanDerWaalsContact NH2-CB 3.35Å; R437-F497 PolarHBondContact NH2-O 2.7Å; E461-F497 WeakPolarHBondContact OE2-CE1 3.38Å; L463-F497 HydrophobicContact CD2-CE1 4.18Å; L463-F497 HydrophobicContact CD2-CZ 3.65Å; P481-F497 HydrophobicContact CB-CB 4.29Å; P481-F497 WeakPolarHBondContact O-CD2 3.36Å; P481-F497 PolarHBondContact O-N 2.87Å; V483-F497 HydrophobicContact CB-CE2 4.28Å; V483-F497 HydrophobicContact CG2-CE2 3.9Å; W495-F497 HydrophobicContact CB-CE2 3.69Å; W495-F497 HydrophobicContact CB-CZ 3.6Å; F497-Q499 PolarHBondContact O-N 2.91Å; F497-M502 HydrophobicContact CD1-CB 4.37Å; F497-M502 HydrophobicContact CD1-CG 4.32Å; F497-M502 HydrophobicContact CE1-CB 4.09Å; F497-M502 HydrophobicContact CE1-CG 3.67Å; F497-M502 HydrophobicContact CE1-SD 4.07Å; F497-M502 HydrophobicContact CZ-CG 4.35Å
498	R	88.5	Confident	92.5	Very high	110 Å²	110	50.2 Å²	50.2	42%	0.415	26%	0.26	S	S	.	.	S	Bend	trans	-68.4	-19	177	-69.4	176.4	-65.3	177	1.3	113.8	F480 P481 V482 D496	F480-R498 HydrophobicContact CB-CG 4.3Å; F480-R498 HydrophobicContact CD1-CG 4.15Å; P481-R498 HydrophobicContact CG-CG 4.19Å; V482-R498 HydrophobicContact CG2-CG 4.22Å; D496-R498 VanDerWaalsContact CG-NE 3.35Å; D496-R498 VanDerWaalsContact OD1-CB 3.23Å; D496-R498 WeakPolarHBondContact OD1-CB 3.21Å; D496-R498 WeakPolarHBondContact OD1-CG 3.16Å; D496-R498 IonicContact OD1-CZ 2.78Å; D496-R498 PolarHBondContact OD1-N 2.73Å; D496-R498 IonicContact OD1-NE 2.67Å; D496-R498 PolarHBondContact OD1-NE 2.9Å; D496-R498 IonicContact OD1-NH2 2.67Å; D496-R498 IonicContact OD2-CZ 3.17Å; D496-R498 IonicContact OD2-NE 3.21Å; D496-R498 PolarHBondContact OD2-NE 3.05Å; D496-R498 VanDerWaalsContact OD2-NE 3.17Å; D496-R498 IonicContact OD2-NH2 2.67Å; D496-R498 PolarHBondContact OD2-NH2 3.22Å
499	Q	86.2	Confident	92.3	Very high	101 Å²	101	45.7 Å²	45.7	47%	0.472	24%	0.243	S	C	.	.	S	Bend	trans	-121	161	174.3	-63.7	-170.9	-4.5	0	0	109	F497 G501	F497-Q499 PolarHBondContact O-N 2.91Å; Q499-G501 PolarHBondContact O-N 3.2Å
500	P	81.4	Confident	92.2	Very high	138 Å²	138	44.4 Å²	44.4	90%	0.896	24%	0.236	S	C	*	.	S	Bend	trans	-56.3	127.9	174	-26.1	35.7	0	0	0	111.7
501	G	80.7	Confident	92.2	Very high	51 Å²	51	47 Å²	47	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	87.3	149.3	-175.5	0	0	0	0	0	114.3	Q499	Q499-G501 PolarHBondContact O-N 3.2Å
502	M	84.8	Confident	92.2	Very high	66 Å²	66	50.9 Å²	50.9	33%	0.325	27%	0.272	S	S	.	.			trans	-74.8	121.9	-177.7	-174.5	172.9	65.8	0	0	112.4	E461 L463 W495 F497 V504	E461-M502 WeakPolarHBondContact OE2-CB 3.3Å; L463-M502 HydrophobicContact CD2-SD 3.78Å; W495-M502 HydrophobicContact CE3-CE 4.22Å; W495-M502 HydrophobicContact CE3-CG 4.01Å; W495-M502 HydrophobicContact CE3-SD 3.42Å; W495-M502 HydrophobicContact CZ3-CE 3.93Å; W495-M502 HydrophobicContact CZ3-SD 3.7Å; F497-M502 HydrophobicContact CD1-CB 4.37Å; F497-M502 HydrophobicContact CD1-CG 4.32Å; F497-M502 HydrophobicContact CE1-CB 4.09Å; F497-M502 HydrophobicContact CE1-CG 3.67Å; F497-M502 HydrophobicContact CE1-SD 4.07Å; F497-M502 HydrophobicContact CZ-CG 4.35Å; M502-V504 HydrophobicContact CE-CG2 4.16Å; M502-V504 HydrophobicContact CG-CG2 3.93Å; M502-V504 HydrophobicContact SD-CG2 4.35Å
503	R	90.5	Very high	92.2	Very high	102 Å²	102	53 Å²	53	39%	0.385	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	136.4	167.1	-70.7	-173.7	176.2	159.3	9	110.6	W495 D496	W495-R503 CarbonylContact C-O 3.56Å; W495-R503 WeakPolarHBondContact CA-O 3.39Å; D496-R503 HydrophobicContact CB-CB 4.22Å; D496-R503 PolarHBondContact N-O 3.03Å; D496-R503 PolarHBondContact O-N 3.43Å; D496-R503 VanDerWaalsContact O-N 3.07Å
504	V	93.2	Very high	92.2	Very high	62 Å²	62	51.6 Å²	51.6	38%	0.376	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.7	-175.6	-164.1	0	0	0	0	110.5	R493 L494 W495 M502 V506	R493-V504 HydrophobicContact CB-CG1 4.26Å; L494-V504 CarbonylContact O-C 3.54Å; L494-V504 WeakPolarHBondContact O-CA 3.35Å; W495-V504 HydrophobicContact CD2-CG1 4.13Å; W495-V504 HydrophobicContact CD2-CG2 4.43Å; W495-V504 HydrophobicContact CE3-CB 4.21Å; W495-V504 HydrophobicContact CE3-CG1 3.78Å; W495-V504 HydrophobicContact CE3-CG2 3.44Å; W495-V504 VanDerWaalsContact CE3-CG2 3.44Å; W495-V504 HydrophobicContact CH2-CG1 4.04Å; W495-V504 HydrophobicContact CZ2-CG1 4.37Å; W495-V504 HydrophobicContact CZ3-CB 4.29Å; W495-V504 HydrophobicContact CZ3-CG1 3.74Å; W495-V504 HydrophobicContact CZ3-CG2 3.5Å; M502-V504 HydrophobicContact CE-CG2 4.16Å; M502-V504 HydrophobicContact CG-CG2 3.93Å; M502-V504 HydrophobicContact SD-CG2 4.35Å; V504-V506 HydrophobicContact CG1-CG2 4.15Å
505	H	93	Very high	92.3	Very high	71 Å²	71	51.9 Å²	51.9	33%	0.329	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.9	165.4	-179.2	79.9	0	0	0	109.2	R493 L494 Q507	R493-H505 CarbonylContact C-O 3.47Å; R493-H505 VanDerWaalsContact CA-O 3.29Å; R493-H505 WeakPolarHBondContact CA-O 3.28Å; L494-H505 HydrophobicContact CB-CB 4.42Å; L494-H505 PolarHBondContact N-O 3.19Å; L494-H505 PolarHBondContact O-N 2.84Å; H505-Q507 PolarHBondContact NE2-OE1 2.76Å
506	V	94.8	Very high	92.5	Very high	70 Å²	70	51.8 Å²	51.8	42%	0.424	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	179.7	-175.5	0	0	0	0	108.9	T491 R493 V504	T491-V506 HydrophobicContact CG2-CG1 4.49Å; R493-V506 HydrophobicContact CG-CB 4.34Å; R493-V506 HydrophobicContact CG-CG1 4.1Å; R493-V506 HydrophobicContact CG-CG2 4.02Å; V504-V506 HydrophobicContact CG1-CG2 4.15Å
507	Q	95.4	Very high	92.7	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	117	-179.2	-172.4	60.7	53.2	0	0	110.9	T491 F492 H505 A509 W540 R546	T491-Q507 WeakPolarHBondContact CA-O 3.26Å; T491-Q507 VanDerWaalsContact CB-O 3.31Å; T491-Q507 WeakPolarHBondContact CB-O 3.26Å; F492-Q507 HydrophobicContact CD1-CB 4.18Å; F492-Q507 HydrophobicContact CD1-CG 4.4Å; F492-Q507 HydrophobicContact CD2-CB 4.02Å; F492-Q507 HydrophobicContact CE1-CB 3.76Å; F492-Q507 HydrophobicContact CE1-CG 3.64Å; F492-Q507 HydrophobicContact CE2-CB 3.58Å; F492-Q507 HydrophobicContact CE2-CG 4.2Å; F492-Q507 HydrophobicContact CG-CB 4.29Å; F492-Q507 HydrophobicContact CZ-CB 3.45Å; F492-Q507 VanDerWaalsContact CZ-CB 3.45Å; F492-Q507 HydrophobicContact CZ-CG 3.53Å; F492-Q507 PolarHBondContact N-O 3.35Å; F492-Q507 VanDerWaalsContact N-O 3.07Å; F492-Q507 PolarHBondContact O-N 3.06Å; H505-Q507 PolarHBondContact NE2-OE1 2.76Å; Q507-A509 HydrophobicContact CG-CB 4.46Å; Q507-A509 PolarHBondContact O-N 2.77Å; Q507-A509 VanDerWaalsContact O-N 3.15Å; Q507-W540 HydrophobicContact CG-CD2 4.42Å; Q507-W540 HydrophobicContact CG-CE3 3.89Å; Q507-W540 HydrophobicContact CG-CH2 3.99Å; Q507-W540 HydrophobicContact CG-CZ2 4.48Å; Q507-W540 HydrophobicContact CG-CZ3 3.64Å; Q507-R546 PolarHBondContact NE2-O 2.92Å
508	Q	94.1	Very high	92.9	Very high	46 Å²	46	51.3 Å²	51.3	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	113.7	160.3	-171.9	73.4	47	0	0	107.2	Y87 C490 H510	Y87-Q508 HydrophobicContact CE1-CB 3.7Å; Y87-Q508 HydrophobicContact CE1-CG 4.02Å; C490-Q508 PolarHBondContact O-NE2 3.29Å; Q508-H510 PolarHBondContact NE2-O 2.89Å
509	A	93	Very high	93.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.261	C	S	.	.			trans	-115.9	-35.4	-166.5	0	0	0	0	0	112.9	C490 F492 Q507 V514 R538 W540	C490-A509 PolarHBondContact O-N 3.5Å; F492-A509 HydrophobicContact CD1-CB 3.42Å; F492-A509 VanDerWaalsContact CD1-CB 3.42Å; F492-A509 HydrophobicContact CE1-CB 3.72Å; Q507-A509 HydrophobicContact CG-CB 4.46Å; Q507-A509 PolarHBondContact O-N 2.77Å; Q507-A509 VanDerWaalsContact O-N 3.15Å; A509-V514 HydrophobicContact CB-CG2 4.34Å; A509-R538 VanDerWaalsContact O-CD 3.28Å; A509-R538 WeakPolarHBondContact O-CD 3.37Å; A509-R538 PolarHBondContact O-NH1 3.28Å; A509-W540 HydrophobicContact CB-CH2 4.2Å; A509-W540 HydrophobicContact CB-CZ2 3.72Å
510	H	96.5	Very high	93.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.			trans	-135.3	168	-177.6	-67.1	-94.6	0	0	0	110.7	C490 Q508 Q512 V514 S530 G532 D534 F536 R538	C490-H510 WeakPolarHBondContact CB-O 3.24Å; C490-H510 PolarHBondContact O-N 2.59Å; Q508-H510 PolarHBondContact NE2-O 2.89Å; H510-Q512 WeakPolarHBondContact CB-O 3.23Å; H510-V514 HydrophobicContact CB-CG2 4.29Å; H510-S530 WeakPolarHBondContact NE2-CB 3.36Å; H510-S530 PolarHBondContact NE2-OG 2.94Å; H510-G532 PolarHBondContact CE1-N 3.42Å; H510-D534 WeakPolarHBondContact CA-OD2 3.28Å; H510-D534 WeakPolarHBondContact CB-OD2 3.31Å; H510-D534 IonicContact CE1-OD1 2.77Å; H510-D534 IonicContact CG-OD1 2.66Å; H510-D534 IonicContact CG-OD2 3.96Å; H510-D534 VanDerWaalsContact ND1-CG 3.28Å; H510-D534 IonicContact ND1-OD1 3.98Å; H510-D534 PolarHBondContact ND1-OD1 3.31Å; H510-D534 IonicContact ND1-OD2 3.13Å; H510-D534 PolarHBondContact ND1-OD2 3.43Å; H510-D534 VanDerWaalsContact ND1-OD2 3.17Å; H510-F536 PolarHBondContact CE1-O 3.02Å; H510-R538 PolarHBondContact CE1-NH1 3.4Å; H510-R538 PolarHBondContact ND1-NH1 2.97Å
511	S	96.6	Very high	92.8	Very high	78 Å²	78	35.8 Å²	35.8	55%	0.545	20%	0.202	S	C	.	.	S	Bend	trans	-94.9	-1	171.7	59.3	0	0	0	0	113.6	D534	S511-D534 PolarHBondContact N-OD2 3.01Å; S511-D534 WeakPolarHBondContact OG-CB 3.29Å
512	Q	97.6	Very high	92.3	Very high	93 Å²	93	34.6 Å²	34.6	44%	0.435	19%	0.185	S	C	.	.	S	Bend	trans	-142.7	178	172.5	-59.8	-172.5	-10.9	0	0	108.1	C490 H510 V514 A533 D534	C490-Q512 WeakPolarHBondContact SG-CA 3.41Å; C490-Q512 PolarHBondContact SG-O 3.43Å; H510-Q512 WeakPolarHBondContact CB-O 3.23Å; Q512-V514 PolarHBondContact O-N 3.19Å; Q512-A533 HydrophobicContact CB-CB 3.94Å; Q512-A533 VanDerWaalsContact OE1-C 3.22Å; Q512-A533 PolarHBondContact OE1-O 3.21Å; Q512-D534 HydrophobicContact CB-CB 4.16Å; Q512-D534 HydrophobicContact CG-CB 4.2Å
513	T	97.8	Very high	91.6	Very high	45 Å²	45	33.3 Å²	33.3	28%	0.276	19%	0.188	S	C	.	.			trans	-34.9	125.7	175.2	-59.1	0	0	0	0	113.9	T471 R488 G532 A533	T471-T513 HydrophobicContact CG2-CG2 3.77Å; R488-T513 HydrophobicContact CB-CG2 4.42Å; R488-T513 HydrophobicContact CG-CG2 3.85Å; T513-G532 CarbonylContact O-C 3.58Å; T513-G532 WeakPolarHBondContact O-CA 3.43Å; T513-A533 PolarHBondContact O-N 3.37Å
514	V	98.5	Very high	91.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	120.5	165.1	-167.5	0	0	0	0	106.9	T471 S487 C490 T491 A509 H510 Q512 T517 A531	T471-V514 WeakPolarHBondContact CB-O 3.27Å; T471-V514 PolarHBondContact OG1-O 3.25Å; S487-V514 PolarHBondContact O-N 3.06Å; C490-V514 VanDerWaalsContact C-CG2 3.49Å; T491-V514 WeakPolarHBondContact O-CG2 3.29Å; A509-V514 HydrophobicContact CB-CG2 4.34Å; H510-V514 HydrophobicContact CB-CG2 4.29Å; Q512-V514 PolarHBondContact O-N 3.19Å; V514-T517 WeakPolarHBondContact CG1-OG1 3.48Å; V514-A531 CarbonylContact C-O 3.58Å; V514-A531 WeakPolarHBondContact CG1-O 3.47Å
515	S	97.9	Very high	90.5	Very high	21 Å²	21	27.9 Å²	27.9	15%	0.147	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-30.6	-177.4	53.7	0	0	0	0	112.6	A531 I558	S515-A531 PolarHBondContact N-O 3.33Å; S515-A531 PolarHBondContact OG-O 2.9Å; S515-A531 VanDerWaalsContact OG-O 3.11Å; S515-I558 WeakPolarHBondContact CB-O 3.43Å; S515-I558 PolarHBondContact OG-O 3.04Å
516	T	97.7	Very high	90.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	151.1	175.1	-179.8	0	0	0	0	110	D472 Q518 S530 A531 L561	D472-T516 VanDerWaalsContact OD2-CB 3.31Å; D472-T516 WeakPolarHBondContact OD2-CB 3.12Å; D472-T516 PolarHBondContact OD2-OG1 2.74Å; T516-Q518 PolarHBondContact OG1-NE2 3.05Å; T516-Q518 VanDerWaalsContact OG1-NE2 3.12Å; T516-S530 WeakPolarHBondContact O-CA 3.44Å; T516-A531 HydrophobicContact CG2-CB 4.15Å; T516-A531 PolarHBondContact O-N 3.46Å; T516-L561 HydrophobicContact CG2-CB 4.22Å; T516-L561 HydrophobicContact CG2-CD2 3.77Å; T516-L561 HydrophobicContact CG2-CG 3.72Å
517	T	97.5	Very high	89.9	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	130.9	168.3	-53.2	0	0	0	0	107.5	R474 V484 S486 F492 V514 L528 I529	R474-T517 VanDerWaalsContact CG-O 3.27Å; R474-T517 WeakPolarHBondContact CG-O 3.27Å; V484-T517 HydrophobicContact CG1-CG2 4.32Å; V484-T517 VanDerWaalsContact CG1-O 3.32Å; V484-T517 WeakPolarHBondContact CG1-O 3.36Å; V484-T517 HydrophobicContact CG2-CG2 3.64Å; S486-T517 VanDerWaalsContact OG-CB 3.27Å; S486-T517 WeakPolarHBondContact OG-CB 3.46Å; S486-T517 PolarHBondContact OG-N 3.45Å; S486-T517 PolarHBondContact OG-OG1 3.45Å; F492-T517 HydrophobicContact CB-CG2 4.19Å; F492-T517 WeakPolarHBondContact CB-OG1 3.34Å; F492-T517 HydrophobicContact CD1-CG2 3.93Å; F492-T517 HydrophobicContact CD2-CG2 4.18Å; F492-T517 HydrophobicContact CE1-CG2 4.33Å; F492-T517 HydrophobicContact CG-CG2 3.86Å; V514-T517 WeakPolarHBondContact CG1-OG1 3.48Å; T517-L528 HydrophobicContact CG2-CB 4.3Å; T517-L528 HydrophobicContact CG2-CD2 4.49Å; T517-I529 CarbonylContact C-O 3.55Å; T517-I529 VanDerWaalsContact CA-O 3.24Å; T517-I529 WeakPolarHBondContact CA-O 3.46Å; T517-I529 WeakPolarHBondContact CG2-O 3.22Å
518	Q	95.3	Very high	89.8	Confident	14 Å²	14	28.5 Å²	28.5	7%	0.065	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.4	-175.6	-77.2	170.3	52.8	0	0	110.3	R474 T516 L528 I529 L561 L563	R474-Q518 HydrophobicContact CB-CG 4.45Å; R474-Q518 HydrophobicContact CG-CG 3.71Å; T516-Q518 PolarHBondContact OG1-NE2 3.05Å; T516-Q518 VanDerWaalsContact OG1-NE2 3.12Å; Q518-L528 CarbonylContact O-C 3.56Å; Q518-L528 WeakPolarHBondContact O-CA 3.31Å; Q518-I529 HydrophobicContact CB-CG2 4.04Å; Q518-I529 PolarHBondContact N-O 2.77Å; Q518-I529 PolarHBondContact O-N 2.85Å; Q518-L561 PolarHBondContact NE2-O 3.46Å; Q518-L563 HydrophobicContact CB-CD1 3.94Å
519	F	92.2	Very high	89.8	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.2	166.8	-61.1	-85.7	0	0	0	109.5	C475 E476 V482 V484 L494 P525 L528 L563 Y566	C475-F519 WeakPolarHBondContact O-CD2 3.3Å; E476-F519 HydrophobicContact CB-CD1 4.16Å; E476-F519 HydrophobicContact CB-CD2 4.1Å; E476-F519 HydrophobicContact CB-CE1 4Å; E476-F519 HydrophobicContact CB-CE2 3.95Å; E476-F519 HydrophobicContact CB-CG 4.22Å; E476-F519 HydrophobicContact CB-CZ 3.91Å; E476-F519 HydrophobicContact CG-CD1 3.85Å; E476-F519 HydrophobicContact CG-CD2 4.47Å; E476-F519 HydrophobicContact CG-CE1 4.03Å; E476-F519 HydrophobicContact CG-CG 4.09Å; E476-F519 HydrophobicContact CG-CZ 4.45Å; E476-F519 VanDerWaalsContact N-CE2 3.33Å; V482-F519 HydrophobicContact CB-CZ 4.44Å; V482-F519 HydrophobicContact CG1-CE1 4.03Å; V482-F519 HydrophobicContact CG1-CZ 3.9Å; V484-F519 HydrophobicContact CB-CE2 4.28Å; V484-F519 HydrophobicContact CB-CZ 4.17Å; V484-F519 HydrophobicContact CG1-CD2 4.37Å; V484-F519 HydrophobicContact CG1-CE2 3.76Å; V484-F519 HydrophobicContact CG1-CZ 4.13Å; L494-F519 HydrophobicContact CD1-CE1 4.02Å; L494-F519 HydrophobicContact CD1-CZ 4.45Å; F519-P525 HydrophobicContact CE1-CB 4.34Å; F519-L528 HydrophobicContact CD1-CD2 3.5Å; F519-L528 HydrophobicContact CE1-CD2 3.61Å; F519-L528 HydrophobicContact CG-CD2 4.01Å; F519-L528 HydrophobicContact CZ-CD2 4.18Å; F519-L563 WeakPolarHBondContact O-CD1 3.48Å; F519-Y566 VanDerWaalsContact C-OH 3.23Å; F519-Y566 PolarHBondContact O-OH 2.85Å
520	L	88.4	Confident	90	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.047	15%	0.152	C	C	.	.	S	Bend	trans	-105.5	-9	-178.8	-169.6	62.3	0	0	0	112.6	R527 I529 I539 L563 P616 I619 V633	L520-R527 HydrophobicContact CB-CB 4.49Å; L520-R527 PolarHBondContact N-O 3.24Å; L520-I529 HydrophobicContact CD1-CB 4.41Å; L520-I529 HydrophobicContact CD1-CD1 4.49Å; L520-I529 HydrophobicContact CD1-CG2 4.25Å; L520-I539 HydrophobicContact CD2-CB 4.47Å; L520-I539 HydrophobicContact CD2-CD1 4.21Å; L520-I539 HydrophobicContact CD2-CG1 4.12Å; L520-I539 HydrophobicContact CD2-CG2 3.62Å; L520-L563 HydrophobicContact CD1-CD1 4.33Å; L520-L563 HydrophobicContact CD1-CD2 3.93Å; L520-P616 HydrophobicContact CD1-CG 4.33Å; L520-P616 WeakPolarHBondContact O-CD 3.48Å; L520-P616 WeakPolarHBondContact O-CG 3.49Å; L520-I619 HydrophobicContact CD1-CD1 4.38Å; L520-I619 HydrophobicContact CD1-CG1 4.33Å; L520-V633 HydrophobicContact CD1-CG2 3.95Å; L520-V633 HydrophobicContact CD2-CG2 4.34Å; L520-V633 HydrophobicContact CG-CG2 4.01Å
521	A	74	Confident	90.1	Very high	9 Å²	9	26.3 Å²	26.3	7%	0.074	15%	0.152	C	C	.	.	S	Bend	trans	-147.9	115.7	179.2	0	0	0	0	0	110	G523 S524 R527 Y615	A521-G523 PolarHBondContact O-N 2.94Å; A521-S524 PolarHBondContact O-N 2.83Å; A521-R527 HydrophobicContact CB-CB 4.32Å; A521-Y615 HydrophobicContact CB-CD1 4.04Å; A521-Y615 HydrophobicContact CB-CE1 3.96Å
522	P	69.8	Low	90.1	Very high	27 Å²	27	22.6 Å²	22.6	18%	0.175	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	137.2	176.2	24.8	-32.4	0	0	0	110.2	P477 S524 Y566 Y615	P477-P522 HydrophobicContact CG-CB 4.4Å; P522-S524 PolarHBondContact O-N 3.33Å; P522-Y566 HydrophobicContact CB-CE1 4.19Å; P522-Y566 HydrophobicContact CG-CE1 4.25Å; P522-Y615 HydrophobicContact CG-CD1 4.48Å
523	G	70.3	Confident	90.1	Very high	38 Å²	38	19.6 Å²	19.6	39%	0.392	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	1.9	-176.3	0	0	0	0	0	114.8	E476 F480 A521 P525	E476-G523 PolarHBondContact OE1-N 3.05Å; F480-G523 WeakPolarHBondContact CE2-O 3.24Å; A521-G523 PolarHBondContact O-N 2.94Å; G523-P525 WeakPolarHBondContact O-CD 3.21Å
524	S	80.9	Confident	90.1	Very high	43 Å²	43	17.7 Å²	17.7	30%	0.301	11%	0.105	S	C	.	.			trans	-123.9	74.7	178.2	-150.5	0	0	0	0	110	A521 P522 E526 R527	A521-S524 PolarHBondContact O-N 2.83Å; P522-S524 PolarHBondContact O-N 3.33Å; S524-E526 PolarHBondContact O-N 3.05Å; S524-R527 PolarHBondContact O-N 3Å
525	P	78.9	Confident	90	Very high	7 Å²	7	22.5 Å²	22.5	5%	0.045	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-10.3	-169.7	23.3	-34.1	0	0	0	114.7	E476 F480 V482 L494 F519 G523	E476-P525 HydrophobicContact CG-CB 4.16Å; F480-P525 HydrophobicContact CD2-CG 4.41Å; V482-P525 HydrophobicContact CB-CB 4.49Å; V482-P525 HydrophobicContact CG1-CB 4.25Å; V482-P525 HydrophobicContact CG2-CB 4.3Å; L494-P525 VanDerWaalsContact CD1-O 3.29Å; L494-P525 WeakPolarHBondContact CD1-O 3.31Å; F519-P525 HydrophobicContact CE1-CB 4.34Å; G523-P525 WeakPolarHBondContact O-CD 3.21Å
526	E	84.8	Confident	90	Very high	56 Å²	56	24 Å²	24	26%	0.262	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-11	-178.8	-63.9	158.8	147.7	0	0	112.6	S524 D541 L542 R543	S524-E526 PolarHBondContact O-N 3.05Å; E526-D541 WeakPolarHBondContact O-CA 3.39Å; E526-L542 HydrophobicContact CB-CB 4.19Å; E526-L542 PolarHBondContact O-N 3.43Å; E526-R543 HydrophobicContact CB-CG 3.9Å; E526-R543 VanDerWaalsContact CD-NH1 3.33Å; E526-R543 HydrophobicContact CG-CG 4.11Å; E526-R543 IonicContact OE1-NH1 2.98Å; E526-R543 PolarHBondContact OE1-NH1 3.34Å; E526-R543 WeakPolarHBondContact OE2-CD 3.33Å; E526-R543 WeakPolarHBondContact OE2-CG 3.33Å; E526-R543 IonicContact OE2-CZ 2.88Å; E526-R543 IonicContact OE2-NE 2.86Å; E526-R543 IonicContact OE2-NH1 3.95Å; E526-R543 PolarHBondContact OE2-NH1 3.15Å
527	R	90.2	Very high	90	Very high	108 Å²	108	24 Å²	24	41%	0.408	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	110.4	174.7	-74.8	-164.4	168.7	-157.5	-5.6	111.7	L520 A521 S524 W540 D541	L520-R527 HydrophobicContact CB-CB 4.49Å; L520-R527 PolarHBondContact N-O 3.24Å; A521-R527 HydrophobicContact CB-CB 4.32Å; S524-R527 PolarHBondContact O-N 3Å; R527-W540 WeakPolarHBondContact CA-O 3.39Å; R527-D541 HydrophobicContact CG-CB 4.44Å; R527-D541 IonicContact CZ-OD2 3.25Å; R527-D541 IonicContact NE-OD2 2.73Å; R527-D541 PolarHBondContact NE-OD2 3.41Å; R527-D541 IonicContact NH2-OD2 3.83Å; R527-D541 PolarHBondContact NH2-OD2 2.88Å
528	L	93.7	Very high	89.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	158.6	-177.2	-63.5	168.7	0	0	0	110.8	V484 F492 L494 T517 Q518 F519 W540 L542	V484-L528 HydrophobicContact CG1-CD2 4.41Å; V484-L528 HydrophobicContact CG2-CD1 4.5Å; F492-L528 HydrophobicContact CD2-CD1 4.18Å; F492-L528 HydrophobicContact CE2-CD1 3.38Å; F492-L528 HydrophobicContact CZ-CD1 3.78Å; L494-L528 HydrophobicContact CD1-CD1 4.06Å; T517-L528 HydrophobicContact CG2-CB 4.3Å; T517-L528 HydrophobicContact CG2-CD2 4.49Å; Q518-L528 CarbonylContact O-C 3.56Å; Q518-L528 WeakPolarHBondContact O-CA 3.31Å; F519-L528 HydrophobicContact CD1-CD2 3.5Å; F519-L528 HydrophobicContact CE1-CD2 3.61Å; F519-L528 HydrophobicContact CG-CD2 4.01Å; F519-L528 HydrophobicContact CZ-CD2 4.18Å; L528-W540 HydrophobicContact CB-CB 4.27Å; L528-W540 PolarHBondContact N-O 3.46Å; L528-W540 VanDerWaalsContact N-O 3.13Å; L528-W540 PolarHBondContact O-N 2.87Å; L528-L542 HydrophobicContact CD1-CD1 3.82Å; L528-L542 HydrophobicContact CD1-CG 4.37Å
529	I	95.1	Very high	89.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.9	167.1	-172.4	174.3	0	0	0	108.9	T517 Q518 L520 C537 R538 I539 L561 L563 I619	T517-I529 CarbonylContact C-O 3.55Å; T517-I529 VanDerWaalsContact CA-O 3.24Å; T517-I529 WeakPolarHBondContact CA-O 3.46Å; T517-I529 WeakPolarHBondContact CG2-O 3.22Å; Q518-I529 HydrophobicContact CB-CG2 4.04Å; Q518-I529 PolarHBondContact N-O 2.77Å; Q518-I529 PolarHBondContact O-N 2.85Å; L520-I529 HydrophobicContact CD1-CB 4.41Å; L520-I529 HydrophobicContact CD1-CD1 4.49Å; L520-I529 HydrophobicContact CD1-CG2 4.25Å; I529-C537 VanDerWaalsContact CD1-SG 3.55Å; I529-C537 VanDerWaalsContact CG1-SG 3.58Å; I529-R538 CarbonylContact C-O 3.49Å; I529-R538 VanDerWaalsContact CA-O 3.31Å; I529-R538 WeakPolarHBondContact CA-O 3.39Å; I529-I539 HydrophobicContact CD1-CG1 4.34Å; I529-I539 HydrophobicContact CG1-CG1 4.25Å; I529-L561 HydrophobicContact CD1-CD2 4.29Å; I529-L561 HydrophobicContact CG1-CD2 4.21Å; I529-L561 HydrophobicContact CG2-CD1 4.16Å; I529-L561 HydrophobicContact CG2-CD2 4.27Å; I529-L563 HydrophobicContact CD1-CD2 4.49Å; I529-L563 HydrophobicContact CG2-CD1 4Å; I529-L563 HydrophobicContact CG2-CD2 4.3Å; I529-I619 HydrophobicContact CD1-CB 4.42Å; I529-I619 HydrophobicContact CD1-CD1 3.52Å; I529-I619 HydrophobicContact CD1-CG1 3.93Å; I529-I619 HydrophobicContact CD1-CG2 3.64Å
530	S	97.1	Very high	89.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.4	175.9	71.4	0	0	0	0	111	H510 T516 C537 R538 W540	H510-S530 WeakPolarHBondContact NE2-CB 3.36Å; H510-S530 PolarHBondContact NE2-OG 2.94Å; T516-S530 WeakPolarHBondContact O-CA 3.44Å; S530-C537 CarbonylContact O-C 3.58Å; S530-C537 WeakPolarHBondContact O-CA 3.42Å; S530-R538 PolarHBondContact N-O 2.84Å; S530-R538 PolarHBondContact O-N 3.2Å; S530-W540 PolarHBondContact OG-NE1 3.05Å
531	A	97.8	Very high	90	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156	173.6	0	0	0	0	0	110.5	V514 S515 T516 I558 L561	V514-A531 CarbonylContact C-O 3.58Å; V514-A531 WeakPolarHBondContact CG1-O 3.47Å; S515-A531 PolarHBondContact N-O 3.33Å; S515-A531 PolarHBondContact OG-O 2.9Å; S515-A531 VanDerWaalsContact OG-O 3.11Å; T516-A531 HydrophobicContact CG2-CB 4.15Å; T516-A531 PolarHBondContact O-N 3.46Å; A531-I558 HydrophobicContact CB-CB 3.92Å; A531-I558 HydrophobicContact CB-CD1 4Å; A531-I558 HydrophobicContact CB-CG2 3.72Å; A531-L561 HydrophobicContact CB-CD2 3.86Å
532	G	96.8	Very high	90.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	174.6	-174.8	0	0	0	0	0	116	H510 T513 D534 R535 F536 I558	H510-G532 PolarHBondContact CE1-N 3.42Å; T513-G532 CarbonylContact O-C 3.58Å; T513-G532 WeakPolarHBondContact O-CA 3.43Å; G532-D534 PolarHBondContact O-N 3.32Å; G532-R535 PolarHBondContact O-N 2.88Å; G532-F536 PolarHBondContact N-O 2.9Å; G532-I558 PolarHBondContact O-N 3.22Å
533	A	97.6	Very high	91.6	Very high	30 Å²	30	32.6 Å²	32.6	25%	0.248	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22	175.6	0	0	0	0	0	112.8	Q512 T513 R535	Q512-A533 HydrophobicContact CB-CB 3.94Å; Q512-A533 VanDerWaalsContact OE1-C 3.22Å; Q512-A533 PolarHBondContact OE1-O 3.21Å; T513-A533 PolarHBondContact O-N 3.37Å; A533-R535 PolarHBondContact O-N 3.4Å
534	D	97.3	Very high	91.9	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.027	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-2.1	175.8	73.5	-13.7	0	0	0	114.3	H510 S511 Q512 G532 F536 R538	H510-D534 WeakPolarHBondContact CA-OD2 3.28Å; H510-D534 WeakPolarHBondContact CB-OD2 3.31Å; H510-D534 IonicContact CE1-OD1 2.77Å; H510-D534 IonicContact CG-OD1 2.66Å; H510-D534 IonicContact CG-OD2 3.96Å; H510-D534 VanDerWaalsContact ND1-CG 3.28Å; H510-D534 IonicContact ND1-OD1 3.98Å; H510-D534 PolarHBondContact ND1-OD1 3.31Å; H510-D534 IonicContact ND1-OD2 3.13Å; H510-D534 PolarHBondContact ND1-OD2 3.43Å; H510-D534 VanDerWaalsContact ND1-OD2 3.17Å; S511-D534 PolarHBondContact N-OD2 3.01Å; S511-D534 WeakPolarHBondContact OG-CB 3.29Å; Q512-D534 HydrophobicContact CB-CB 4.16Å; Q512-D534 HydrophobicContact CG-CB 4.2Å; G532-D534 PolarHBondContact O-N 3.32Å; D534-F536 VanDerWaalsContact C-N 3.33Å; D534-F536 HydrophobicContact CB-CD2 4.4Å; D534-F536 WeakPolarHBondContact O-CD2 3.43Å; D534-F536 PolarHBondContact OD1-N 2.74Å; D534-R538 IonicContact OD1-NH1 2.76Å; D534-R538 IonicContact OD2-CZ 3.4Å; D534-R538 IonicContact OD2-NH1 3.22Å; D534-R538 PolarHBondContact OD2-NH1 3.09Å; D534-R538 IonicContact OD2-NH2 3.64Å
535	R	97.7	Very high	91	Very high	102 Å²	102	37.5 Å²	37.5	39%	0.385	17%	0.17	S	C	.	.	S	Bend	trans	67.1	31.7	-178.8	-40.4	-179.9	-67.8	-79.8	-8.6	113.1	G532 A533 T554	G532-R535 PolarHBondContact O-N 2.88Å; A533-R535 PolarHBondContact O-N 3.4Å; R535-T554 WeakPolarHBondContact CA-OG1 3.18Å; R535-T554 PolarHBondContact O-N 2.92Å; R535-T554 PolarHBondContact O-OG1 3.09Å; R535-T554 VanDerWaalsContact O-OG1 3.05Å
536	F	97.4	Very high	90.8	Very high	51 Å²	51	47.2 Å²	47.2	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.4	167.4	-71.7	-91.6	0	0	0	111	H510 G532 D534 R538 I552 R553 I558	H510-F536 PolarHBondContact CE1-O 3.02Å; G532-F536 PolarHBondContact N-O 2.9Å; D534-F536 VanDerWaalsContact C-N 3.33Å; D534-F536 HydrophobicContact CB-CD2 4.4Å; D534-F536 WeakPolarHBondContact O-CD2 3.43Å; D534-F536 PolarHBondContact OD1-N 2.74Å; F536-R538 HydrophobicContact CB-CG 4.43Å; F536-I552 WeakPolarHBondContact CA-O 3.4Å; F536-R553 HydrophobicContact CD1-CB 4.3Å; F536-R553 HydrophobicContact CE1-CB 3.95Å; F536-R553 HydrophobicContact CE1-CG 4.32Å; F536-R553 HydrophobicContact CZ-CB 4.48Å; F536-R553 HydrophobicContact CZ-CG 4.37Å; F536-I558 WeakPolarHBondContact O-CD1 3.2Å
537	C	96.5	Very high	90.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.4	156.7	-177.1	0	0	0	0	107.5	I529 S530 I552 I558 L621	I529-C537 VanDerWaalsContact CD1-SG 3.55Å; I529-C537 VanDerWaalsContact CG1-SG 3.58Å; S530-C537 CarbonylContact O-C 3.58Å; S530-C537 WeakPolarHBondContact O-CA 3.42Å; C537-I552 HydrophobicContact CB-CB 4.35Å; C537-I552 PolarHBondContact N-O 2.87Å; C537-I552 PolarHBondContact O-N 3.45Å; C537-I558 HydrophobicContact CB-CD1 3.82Å; C537-L621 HydrophobicContact CB-CD1 3.85Å; C537-L621 HydrophobicContact CB-CD2 4.21Å
538	R	95.9	Very high	91	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.045	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.5	-175.5	-70.4	-175.2	176	95.4	9.8	110.9	A509 H510 I529 S530 D534 F536 W540 P548 V550 S551	A509-R538 VanDerWaalsContact O-CD 3.28Å; A509-R538 WeakPolarHBondContact O-CD 3.37Å; A509-R538 PolarHBondContact O-NH1 3.28Å; H510-R538 PolarHBondContact CE1-NH1 3.4Å; H510-R538 PolarHBondContact ND1-NH1 2.97Å; I529-R538 CarbonylContact C-O 3.49Å; I529-R538 VanDerWaalsContact CA-O 3.31Å; I529-R538 WeakPolarHBondContact CA-O 3.39Å; S530-R538 PolarHBondContact N-O 2.84Å; S530-R538 PolarHBondContact O-N 3.2Å; D534-R538 IonicContact OD1-NH1 2.76Å; D534-R538 IonicContact OD2-CZ 3.4Å; D534-R538 IonicContact OD2-NH1 3.22Å; D534-R538 PolarHBondContact OD2-NH1 3.09Å; D534-R538 IonicContact OD2-NH2 3.64Å; F536-R538 HydrophobicContact CB-CG 4.43Å; R538-W540 HydrophobicContact CB-CZ2 3.7Å; R538-W540 HydrophobicContact CG-CZ2 4.29Å; R538-W540 VanDerWaalsContact O-CD1 3.31Å; R538-W540 PolarHBondContact O-NE1 2.94Å; R538-P548 HydrophobicContact CB-CB 3.97Å; R538-P548 HydrophobicContact CG-CB 4.2Å; R538-P548 HydrophobicContact CG-CG 4.46Å; R538-V550 VanDerWaalsContact CA-O 3.31Å; R538-V550 WeakPolarHBondContact CA-O 3.43Å; R538-S551 PolarHBondContact NE-OG 3.35Å
539	I	94.1	Very high	90.9	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.6	173.3	-61.7	172.3	0	0	0	108	L520 I529 P548 V549 V550 I619	L520-I539 HydrophobicContact CD2-CB 4.47Å; L520-I539 HydrophobicContact CD2-CD1 4.21Å; L520-I539 HydrophobicContact CD2-CG1 4.12Å; L520-I539 HydrophobicContact CD2-CG2 3.62Å; I529-I539 HydrophobicContact CD1-CG1 4.34Å; I529-I539 HydrophobicContact CG1-CG1 4.25Å; I539-P548 CarbonylContact O-C 3.59Å; I539-P548 WeakPolarHBondContact O-CA 3.43Å; I539-V549 PolarHBondContact O-N 2.88Å; I539-V550 HydrophobicContact CB-CB 4.18Å; I539-V550 HydrophobicContact CB-CG2 4.5Å; I539-V550 HydrophobicContact CD1-CB 4.3Å; I539-V550 HydrophobicContact CD1-CG2 4.46Å; I539-V550 PolarHBondContact N-O 2.94Å; I539-V550 PolarHBondContact O-N 2.92Å; I539-I619 HydrophobicContact CD1-CD1 4.25Å
540	W	93.5	Very high	90.8	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142	-175	-51.1	85.4	0	0	0	110.1	F492 Q507 A509 R527 L528 S530 R538 L542 G547 P548	F492-W540 AromaticContact CE1-CD1 3.9Å; F492-W540 AromaticContact CE1-CD2 3.99Å; F492-W540 HydrophobicContact CE1-CD2 3.99Å; F492-W540 AromaticContact CE1-CE2 3.7Å; F492-W540 HydrophobicContact CE1-CG 4.15Å; F492-W540 HydrophobicContact CE1-CZ2 4.19Å; F492-W540 AromaticContact CE1-NE1 3.61Å; F492-W540 HydrophobicContact CZ-CD2 4.15Å; F492-W540 HydrophobicContact CZ-CG 4.09Å; Q507-W540 HydrophobicContact CG-CD2 4.42Å; Q507-W540 HydrophobicContact CG-CE3 3.89Å; Q507-W540 HydrophobicContact CG-CH2 3.99Å; Q507-W540 HydrophobicContact CG-CZ2 4.48Å; Q507-W540 HydrophobicContact CG-CZ3 3.64Å; A509-W540 HydrophobicContact CB-CH2 4.2Å; A509-W540 HydrophobicContact CB-CZ2 3.72Å; R527-W540 WeakPolarHBondContact CA-O 3.39Å; L528-W540 HydrophobicContact CB-CB 4.27Å; L528-W540 PolarHBondContact N-O 3.46Å; L528-W540 VanDerWaalsContact N-O 3.13Å; L528-W540 PolarHBondContact O-N 2.87Å; S530-W540 PolarHBondContact OG-NE1 3.05Å; R538-W540 HydrophobicContact CB-CZ2 3.7Å; R538-W540 HydrophobicContact CG-CZ2 4.29Å; R538-W540 VanDerWaalsContact O-CD1 3.31Å; R538-W540 PolarHBondContact O-NE1 2.94Å; W540-L542 HydrophobicContact CB-CD2 4.37Å; W540-G547 VanDerWaalsContact CZ3-C 3.48Å; W540-P548 HydrophobicContact CD2-CB 4.16Å; W540-P548 HydrophobicContact CE3-CB 4.03Å; W540-P548 HydrophobicContact CH2-CB 3.99Å; W540-P548 HydrophobicContact CH2-CG 4.2Å; W540-P548 HydrophobicContact CZ2-CB 4.12Å; W540-P548 HydrophobicContact CZ3-CB 3.96Å; W540-P548 HydrophobicContact CZ3-CG 4.31Å; W540-P548 VanDerWaalsContact CZ3-N 3.27Å
541	D	91.4	Very high	90.7	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	98.1	166	-170.9	-38	0	0	0	106.6	E526 R527 R543 Q544 S545 V549	E526-D541 WeakPolarHBondContact O-CA 3.39Å; R527-D541 HydrophobicContact CG-CB 4.44Å; R527-D541 IonicContact CZ-OD2 3.25Å; R527-D541 IonicContact NE-OD2 2.73Å; R527-D541 PolarHBondContact NE-OD2 3.41Å; R527-D541 IonicContact NH2-OD2 3.83Å; R527-D541 PolarHBondContact NH2-OD2 2.88Å; D541-R543 PolarHBondContact O-N 2.83Å; D541-R543 VanDerWaalsContact OD1-CB 3.3Å; D541-R543 WeakPolarHBondContact OD1-CB 3.44Å; D541-R543 WeakPolarHBondContact OD1-CG 3.04Å; D541-R543 PolarHBondContact OD1-N 2.85Å; D541-Q544 HydrophobicContact CB-CB 4.49Å; D541-Q544 HydrophobicContact CB-CG 4.37Å; D541-Q544 PolarHBondContact O-N 2.66Å; D541-Q544 PolarHBondContact OD2-NE2 2.93Å; D541-S545 PolarHBondContact O-N 3.37Å; D541-V549 HydrophobicContact CB-CG2 3.62Å
542	L	89.9	Confident	90.6	Very high	37 Å²	37	52.2 Å²	52.2	19%	0.194	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.7	-172.1	-60.5	-175	0	0	0	113.2	L494 E526 L528 W540	L494-L542 HydrophobicContact CD1-CD1 4.1Å; E526-L542 HydrophobicContact CB-CB 4.19Å; E526-L542 PolarHBondContact O-N 3.43Å; L528-L542 HydrophobicContact CD1-CD1 3.82Å; L528-L542 HydrophobicContact CD1-CG 4.37Å; W540-L542 HydrophobicContact CB-CD2 4.37Å
543	R	86.7	Confident	90.5	Very high	175 Å²	175	60.3 Å²	60.3	66%	0.66	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-34.7	170.7	-51	177.5	69.6	75	1.3	112.4	E526 D541	E526-R543 HydrophobicContact CB-CG 3.9Å; E526-R543 VanDerWaalsContact CD-NH1 3.33Å; E526-R543 HydrophobicContact CG-CG 4.11Å; E526-R543 IonicContact OE1-NH1 2.98Å; E526-R543 PolarHBondContact OE1-NH1 3.34Å; E526-R543 WeakPolarHBondContact OE2-CD 3.33Å; E526-R543 WeakPolarHBondContact OE2-CG 3.33Å; E526-R543 IonicContact OE2-CZ 2.88Å; E526-R543 IonicContact OE2-NE 2.86Å; E526-R543 IonicContact OE2-NH1 3.95Å; E526-R543 PolarHBondContact OE2-NH1 3.15Å; D541-R543 PolarHBondContact O-N 2.83Å; D541-R543 VanDerWaalsContact OD1-CB 3.3Å; D541-R543 WeakPolarHBondContact OD1-CB 3.44Å; D541-R543 WeakPolarHBondContact OD1-CG 3.04Å; D541-R543 PolarHBondContact OD1-N 2.85Å
544	Q	75.8	Confident	90.4	Very high	136 Å²	136	59.2 Å²	59.2	64%	0.636	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-29.1	-160.6	-60.1	-169.7	50.4	0	0	113.5	D541	D541-Q544 HydrophobicContact CB-CB 4.49Å; D541-Q544 HydrophobicContact CB-CG 4.37Å; D541-Q544 PolarHBondContact O-N 2.66Å; D541-Q544 PolarHBondContact OD2-NE2 2.93Å
545	S	63	Low	90.1	Very high	48 Å²	48	62.1 Å²	62.1	34%	0.336	30%	0.297	S	S	.	.			trans	-151.5	154.6	-166.9	52.3	0	0	0	0	114.8	D541 G547	D541-S545 PolarHBondContact O-N 3.37Å; S545-G547 VanDerWaalsContact C-N 3.28Å; S545-G547 WeakPolarHBondContact CB-O 3.43Å; S545-G547 PolarHBondContact OG-O 3.44Å
546	R	73.8	Confident	90.1	Very high	211 Å²	211	57.9 Å²	57.9	80%	0.796	28%	0.283	S	S	*	.	S	Bend	trans	-81.6	-7.8	164.8	-69.3	-174.3	175.5	-172	-3.5	113.5	Q507	Q507-R546 PolarHBondContact NE2-O 2.92Å
547	G	87.9	Confident	90	Very high	28 Å²	28	56.7 Å²	56.7	29%	0.289	28%	0.283	S	S	.	.	S	Bend	trans	-123	174.5	-179.4	0	0	0	0	0	111.4	W540 S545	W540-G547 VanDerWaalsContact CZ3-C 3.48Å; S545-G547 VanDerWaalsContact C-N 3.28Å; S545-G547 WeakPolarHBondContact CB-O 3.43Å; S545-G547 PolarHBondContact OG-O 3.44Å
548	P	92.6	Very high	90.1	Very high	42 Å²	42	56.7 Å²	56.7	27%	0.273	28%	0.283	S	S	.	.			trans	-70.2	148.2	178.7	32.3	-36.8	0	0	0	111	R538 I539 W540 S551	R538-P548 HydrophobicContact CB-CB 3.97Å; R538-P548 HydrophobicContact CG-CB 4.2Å; R538-P548 HydrophobicContact CG-CG 4.46Å; I539-P548 CarbonylContact O-C 3.59Å; I539-P548 WeakPolarHBondContact O-CA 3.43Å; W540-P548 HydrophobicContact CD2-CB 4.16Å; W540-P548 HydrophobicContact CE3-CB 4.03Å; W540-P548 HydrophobicContact CH2-CB 3.99Å; W540-P548 HydrophobicContact CH2-CG 4.2Å; W540-P548 HydrophobicContact CZ2-CB 4.12Å; W540-P548 HydrophobicContact CZ3-CB 3.96Å; W540-P548 HydrophobicContact CZ3-CG 4.31Å; W540-P548 VanDerWaalsContact CZ3-N 3.27Å; P548-S551 VanDerWaalsContact CG-OG 3.29Å; P548-S551 WeakPolarHBondContact CG-OG 3.34Å
549	V	91.8	Very high	90.2	Very high	79 Å²	79	57.8 Å²	57.8	48%	0.479	29%	0.29	S	S	.	.	S	Bend	trans	-74.9	-39.8	172.1	-177.4	0	0	0	0	110.3	I539 D541	I539-V549 PolarHBondContact O-N 2.88Å; D541-V549 HydrophobicContact CB-CG2 3.62Å
550	V	92.3	Very high	90.3	Very high	46 Å²	46	58.5 Å²	58.5	28%	0.279	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.8	177.8	-170.3	0	0	0	0	108.8	R538 I539 I552	R538-V550 VanDerWaalsContact CA-O 3.31Å; R538-V550 WeakPolarHBondContact CA-O 3.43Å; I539-V550 HydrophobicContact CB-CB 4.18Å; I539-V550 HydrophobicContact CB-CG2 4.5Å; I539-V550 HydrophobicContact CD1-CB 4.3Å; I539-V550 HydrophobicContact CD1-CG2 4.46Å; I539-V550 PolarHBondContact N-O 2.94Å; I539-V550 PolarHBondContact O-N 2.92Å; V550-I552 HydrophobicContact CG1-CD1 4.23Å; V550-I552 HydrophobicContact CG1-CG1 3.77Å
551	S	94.9	Very high	90.4	Very high	60 Å²	60	58.5 Å²	58.5	42%	0.42	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	170.7	-70	0	0	0	0	110	R538 P548	R538-S551 PolarHBondContact NE-OG 3.35Å; P548-S551 VanDerWaalsContact CG-OG 3.29Å; P548-S551 WeakPolarHBondContact CG-OG 3.34Å
552	I	95	Very high	90.5	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.072	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	110.8	-170.1	-49.1	171.9	0	0	0	108.5	F536 C537 V550 L631	F536-I552 WeakPolarHBondContact CA-O 3.4Å; C537-I552 HydrophobicContact CB-CB 4.35Å; C537-I552 PolarHBondContact N-O 2.87Å; C537-I552 PolarHBondContact O-N 3.45Å; V550-I552 HydrophobicContact CG1-CD1 4.23Å; V550-I552 HydrophobicContact CG1-CG1 3.77Å; I552-L631 HydrophobicContact CD1-CD1 3.66Å; I552-L631 HydrophobicContact CG2-CD1 4.22Å; I552-L631 HydrophobicContact CG2-CD2 4.46Å
553	R	95.7	Very high	90.6	Very high	170 Å²	170	57.4 Å²	57.4	64%	0.642	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.9	177.6	-169.9	168.7	170.1	164.5	-4.1	111.6	F536 K629	F536-R553 HydrophobicContact CD1-CB 4.3Å; F536-R553 HydrophobicContact CE1-CB 3.95Å; F536-R553 HydrophobicContact CE1-CG 4.32Å; F536-R553 HydrophobicContact CZ-CB 4.48Å; F536-R553 HydrophobicContact CZ-CG 4.37Å; R553-K629 PolarHBondContact O-NZ 3.22Å
554	T	95	Very high	90.5	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.043	26%	0.259	C	S	.	.			trans	-116.5	163.2	171	54.8	0	0	0	0	111	R535 A556 I558 L621 L623 K629	R535-T554 WeakPolarHBondContact CA-OG1 3.18Å; R535-T554 PolarHBondContact O-N 2.92Å; R535-T554 PolarHBondContact O-OG1 3.09Å; R535-T554 VanDerWaalsContact O-OG1 3.05Å; T554-A556 VanDerWaalsContact C-N 3.34Å; T554-A556 PolarHBondContact OG1-O 3.37Å; T554-I558 HydrophobicContact CG2-CD1 3.77Å; T554-I558 HydrophobicContact CG2-CG1 4.11Å; T554-L621 HydrophobicContact CG2-CD1 3.94Å; T554-L623 HydrophobicContact CG2-CD2 4.1Å; T554-K629 HydrophobicContact CG2-CD 4.09Å
555	D	92	Very high	89.9	Confident	66 Å²	66	43.6 Å²	43.6	35%	0.353	23%	0.234	S	C	.	.	S	Bend	trans	-81.9	-10.2	179.3	49.6	-69.9	0	0	0	113.9	N625 R640 R643	D555-N625 PolarHBondContact OD2-ND2 3.16Å; D555-N625 PolarHBondContact OD2-OD1 2.77Å; D555-R640 IonicContact OD1-CZ 3.63Å; D555-R640 IonicContact OD1-NH1 3.04Å; D555-R640 PolarHBondContact OD1-NH1 2.88Å; D555-R640 IonicContact OD1-NH2 3.74Å; D555-R640 IonicContact OD2-CZ 3.05Å; D555-R640 VanDerWaalsContact OD2-CZ 3.25Å; D555-R640 IonicContact OD2-NH1 3.77Å; D555-R640 PolarHBondContact OD2-NH1 3.03Å; D555-R640 IonicContact OD2-NH2 3.62Å; D555-R640 PolarHBondContact OD2-NH2 3.1Å; D555-R643 IonicContact OD2-CZ 2.88Å; D555-R643 IonicContact OD2-NE 2.92Å; D555-R643 IonicContact OD2-NH2 3.35Å; D555-R643 PolarHBondContact OD2-NH2 3.46Å
556	A	96.2	Very high	89.5	Confident	13 Å²	13	44 Å²	44	11%	0.107	23%	0.229	C	C	.	.	S	Bend	trans	-154	170.3	173.9	0	0	0	0	0	110.7	T554 L623 N625	T554-A556 VanDerWaalsContact C-N 3.34Å; T554-A556 PolarHBondContact OG1-O 3.37Å; A556-L623 HydrophobicContact CB-CB 4.33Å; A556-N625 HydrophobicContact CB-CB 3.77Å; A556-N625 VanDerWaalsContact CB-CG 3.44Å; A556-N625 WeakPolarHBondContact CB-ND2 3.22Å
557	A	97.2	Very high	87.8	Confident	25 Å²	25	35.9 Å²	35.9	21%	0.207	21%	0.211	C	C	.	.			trans	-58.6	148.3	174.5	0	0	0	0	0	110.9	L623 V624	A557-L623 WeakPolarHBondContact O-CA 3.28Å; A557-V624 HydrophobicContact CB-CB 4.44Å; A557-V624 HydrophobicContact CB-CG2 3.84Å; A557-V624 PolarHBondContact O-N 3.3Å
558	I	98.1	Very high	85.3	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-108.1	133.6	-173.7	-49.6	172	0	0	0	108.9	S515 A531 G532 F536 C537 T554 L621 P622 L623	S515-I558 WeakPolarHBondContact CB-O 3.43Å; S515-I558 PolarHBondContact OG-O 3.04Å; A531-I558 HydrophobicContact CB-CB 3.92Å; A531-I558 HydrophobicContact CB-CD1 4Å; A531-I558 HydrophobicContact CB-CG2 3.72Å; G532-I558 PolarHBondContact O-N 3.22Å; F536-I558 WeakPolarHBondContact O-CD1 3.2Å; C537-I558 HydrophobicContact CB-CD1 3.82Å; T554-I558 HydrophobicContact CG2-CD1 3.77Å; T554-I558 HydrophobicContact CG2-CG1 4.11Å; I558-L621 HydrophobicContact CD1-CD1 4.22Å; I558-L621 HydrophobicContact CG2-CB 4.1Å; I558-L621 HydrophobicContact CG2-CD2 4.19Å; I558-P622 WeakPolarHBondContact CA-O 3.5Å; I558-L623 HydrophobicContact CB-CD2 4.43Å; I558-L623 HydrophobicContact CG1-CD2 3.79Å
559	N	96.7	Very high	82.4	Confident	35 Å²	35	37.4 Å²	37.4	19%	0.187	23%	0.227	C	C	.	.			trans	-95.5	-147	176.3	-64.7	-34.1	0	0	0	111	L561 P622 V652 T653	N559-L561 PolarHBondContact O-N 3.27Å; N559-P622 HydrophobicContact CB-CG 4.34Å; N559-P622 PolarHBondContact N-O 3.22Å; N559-V652 PolarHBondContact ND2-O 3.17Å; N559-T653 WeakPolarHBondContact CB-O 3.17Å
560	R	96.2	Very high	79.5	Confident	28 Å²	28	37.6 Å²	37.6	11%	0.106	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-71.6	97.4	-177.8	-63.6	-163.6	-150.2	-89.5	2.5	111.1	E236 N276 S429 T471 D472 P622 T653 C654	E236-R560 WeakPolarHBondContact OE1-CD 3.17Å; E236-R560 IonicContact OE1-NE 3.81Å; N276-R560 PolarHBondContact O-NH2 2.82Å; S429-R560 PolarHBondContact O-NH1 2.86Å; S429-R560 PolarHBondContact O-NH2 2.83Å; T471-R560 PolarHBondContact O-NH1 3.4Å; T471-R560 VanDerWaalsContact O-NH1 3.09Å; D472-R560 IonicContact OD1-CZ 2.87Å; D472-R560 IonicContact OD1-NH1 3.8Å; D472-R560 PolarHBondContact OD1-NH1 2.94Å; R560-P622 VanDerWaalsContact O-CG 3.26Å; R560-P622 WeakPolarHBondContact O-CG 3.26Å; R560-T653 PolarHBondContact N-O 3.05Å; R560-C654 HydrophobicContact CB-CB 4.06Å; R560-C654 WeakPolarHBondContact O-CA 3.4Å
561	L	96	Very high	76.4	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	24%	0.244	C	C	.	.			trans	-57.4	155.9	175.2	75	86.1	0	0	0	112.8	T516 Q518 I529 A531 N559 L563 A620 L621	T516-L561 HydrophobicContact CG2-CB 4.22Å; T516-L561 HydrophobicContact CG2-CD2 3.77Å; T516-L561 HydrophobicContact CG2-CG 3.72Å; Q518-L561 PolarHBondContact NE2-O 3.46Å; I529-L561 HydrophobicContact CD1-CD2 4.29Å; I529-L561 HydrophobicContact CG1-CD2 4.21Å; I529-L561 HydrophobicContact CG2-CD1 4.16Å; I529-L561 HydrophobicContact CG2-CD2 4.27Å; A531-L561 HydrophobicContact CB-CD2 3.86Å; N559-L561 PolarHBondContact O-N 3.27Å; L561-L563 HydrophobicContact CD1-CD1 4.29Å; L561-L563 HydrophobicContact CD1-CD2 3.83Å; L561-L563 HydrophobicContact CD1-CG 3.75Å; L561-A620 WeakPolarHBondContact CA-O 3.43Å; L561-A620 WeakPolarHBondContact CB-O 3.41Å; L561-L621 HydrophobicContact CB-CD2 3.87Å; L561-L621 HydrophobicContact CD2-CD2 4.32Å
562	G	93.8	Very high	73.3	Confident	5 Å²	5	42.7 Å²	42.7	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.2	176.2	0	0	0	0	0	112.3	A620 V655	G562-A620 PolarHBondContact N-O 2.99Å; G562-A620 PolarHBondContact O-N 3.1Å; G562-V655 WeakPolarHBondContact CA-O 3.48Å
563	L	91.9	Very high	69.9	Low	15 Å²	15	50.2 Å²	50.2	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.8	-179.7	-61.4	174.5	0	0	0	109.6	Q518 F519 L520 I529 L561 Y566 P616 I619	Q518-L563 HydrophobicContact CB-CD1 3.94Å; F519-L563 WeakPolarHBondContact O-CD1 3.48Å; L520-L563 HydrophobicContact CD1-CD1 4.33Å; L520-L563 HydrophobicContact CD1-CD2 3.93Å; I529-L563 HydrophobicContact CD1-CD2 4.49Å; I529-L563 HydrophobicContact CG2-CD1 4Å; I529-L563 HydrophobicContact CG2-CD2 4.3Å; L561-L563 HydrophobicContact CD1-CD1 4.29Å; L561-L563 HydrophobicContact CD1-CD2 3.83Å; L561-L563 HydrophobicContact CD1-CG 3.75Å; L563-Y566 HydrophobicContact CB-CD2 4.05Å; L563-Y566 HydrophobicContact CB-CE2 3.79Å; L563-Y566 HydrophobicContact CD1-CE2 3.76Å; L563-Y566 HydrophobicContact CG-CE2 4.41Å; L563-P616 HydrophobicContact CB-CB 4.28Å; L563-I619 HydrophobicContact CD2-CB 4.13Å; L563-I619 HydrophobicContact CD2-CG1 3.67Å; L563-I619 HydrophobicContact CD2-CG2 4.02Å
564	S	85.6	Confident	66.6	Low	10 Å²	10	47.1 Å²	47.1	7%	0.07	28%	0.282	C	S	.	.	S	Bend	trans	-74	165.4	175.8	72.8	0	0	0	0	111.2	Y566 P616 K617 Y618 W657	S564-Y566 VanDerWaalsContact C-N 3.31Å; S564-Y566 PolarHBondContact O-N 2.91Å; S564-Y566 VanDerWaalsContact O-N 3.14Å; S564-P616 WeakPolarHBondContact O-CA 3.35Å; S564-P616 WeakPolarHBondContact O-CB 3.38Å; S564-K617 PolarHBondContact OG-N 3.3Å; S564-K617 VanDerWaalsContact OG-N 3.07Å; S564-Y618 PolarHBondContact N-O 2.94Å; S564-Y618 PolarHBondContact OG-N 2.89Å; S564-W657 VanDerWaalsContact N-CD1 3.27Å
565	G	63	Low	63.5	Low	11 Å²	11	53.1 Å²	53.1	11%	0.113	32%	0.319	C	S	.	.			trans	72.5	8.7	163.4	0	0	0	0	0	117.4	G567 S614	G565-G567 PolarHBondContact O-N 3.33Å; G565-S614 WeakPolarHBondContact O-CB 3.14Å; G565-S614 VanDerWaalsContact O-O 3.13Å; G565-S614 PolarHBondContact O-OG 3.18Å
566	Y	54.2	Low	60.3	Low	56 Å²	56	57.8 Å²	57.8	22%	0.22	34%	0.339	C	S	.	.			trans	-73.3	99.4	161.5	-77.7	-61.2	0	0	0	109.8	P477 F519 P522 L563 S564 S568 N659	P477-Y566 HydrophobicContact CB-CD1 4.28Å; P477-Y566 HydrophobicContact CB-CE1 4.4Å; P477-Y566 HydrophobicContact CG-CD1 3.66Å; P477-Y566 HydrophobicContact CG-CE1 3.33Å; F519-Y566 VanDerWaalsContact C-OH 3.23Å; F519-Y566 PolarHBondContact O-OH 2.85Å; P522-Y566 HydrophobicContact CB-CE1 4.19Å; P522-Y566 HydrophobicContact CG-CE1 4.25Å; L563-Y566 HydrophobicContact CB-CD2 4.05Å; L563-Y566 HydrophobicContact CB-CE2 3.79Å; L563-Y566 HydrophobicContact CD1-CE2 3.76Å; L563-Y566 HydrophobicContact CG-CE2 4.41Å; S564-Y566 VanDerWaalsContact C-N 3.31Å; S564-Y566 PolarHBondContact O-N 2.91Å; S564-Y566 VanDerWaalsContact O-N 3.14Å; Y566-S568 PolarHBondContact O-N 3.38Å; Y566-S568 VanDerWaalsContact O-N 3.14Å; Y566-N659 PolarHBondContact O-ND2 2.92Å
567	G	38	Very low	57.2	Low	41 Å²	41	63.4 Å²	63.4	42%	0.423	37%	0.372	S	S	.	.			trans	-67.4	105.6	167.8	0	0	0	0	0	109.2	G565 G569	G565-G567 PolarHBondContact O-N 3.33Å; G567-G569 PolarHBondContact O-N 3.29Å
568	S	34.9	Very low	53.9	Low	45 Å²	45	67.8 Å²	67.8	32%	0.315	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	60.5	176.1	-162.5	0	0	0	0	111	F240 S282 Y566	F240-S568 VanDerWaalsContact CD2-OG 3.31Å; F240-S568 WeakPolarHBondContact CD2-OG 3.46Å; F240-S568 WeakPolarHBondContact CE2-O 3.43Å; S282-S568 VanDerWaalsContact CB-O 3.22Å; S282-S568 WeakPolarHBondContact CB-O 3.43Å; Y566-S568 PolarHBondContact O-N 3.38Å; Y566-S568 VanDerWaalsContact O-N 3.14Å
569	G	32.2	Very low	50.7	Low	57 Å²	57	74.6 Å²	74.6	59%	0.588	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-162.7	16.7	-165.3	0	0	0	0	0	114.1	G567 S571	G567-G569 PolarHBondContact O-N 3.29Å; G569-S571 PolarHBondContact O-N 3.39Å
570	I	31	Very low	47.4	Very low	83 Å²	83	78.8 Å²	78.8	43%	0.426	46%	0.462	S	S	.	.			trans	-69	89.7	164.8	-55.5	177.3	0	0	0	107.1	Y572	I570-Y572 HydrophobicContact CG2-CD2 3.99Å; I570-Y572 HydrophobicContact CG2-CE2 4.07Å; I570-Y572 PolarHBondContact O-N 2.93Å
571	S	26.1	Very low	44.3	Very low	100 Å²	100	83.3 Å²	83.3	70%	0.699	49%	0.493	S	S	*	.			trans	-67.4	106.7	169.7	-177.9	0	0	0	0	108.4	G569 Q573	G569-S571 PolarHBondContact O-N 3.39Å; S571-Q573 PolarHBondContact O-N 3.26Å
572	Y	30.2	Very low	41.2	Very low	113 Å²	113	88.9 Å²	88.9	44%	0.443	53%	0.532	S	S	.	.			trans	-78.6	110.7	168.2	-106	-97.9	0	0	0	109	G478 G479 I570	G478-Y572 PolarHBondContact O-OH 3.43Å; G479-Y572 WeakPolarHBondContact CA-OH 3.46Å; I570-Y572 HydrophobicContact CG2-CD2 3.99Å; I570-Y572 HydrophobicContact CG2-CE2 4.07Å; I570-Y572 PolarHBondContact O-N 2.93Å
573	Q	23.2	Very low	38.2	Very low	171 Å²	171	94.8 Å²	94.8	80%	0.799	57%	0.567	S	S	*	*			trans	-77.8	128.9	153.2	-76.2	-170.4	-30.7	0	0	108	S571 T575	S571-Q573 PolarHBondContact O-N 3.26Å; Q573-T575 PolarHBondContact O-N 3.22Å
574	P	28.2	Very low	35.4	Very low	105 Å²	105	100.9 Å²	100.9	68%	0.682	61%	0.605	S	S	*	*			trans	-62.6	126.4	168.8	-15.5	29.1	0	0	0	108.6	E576	P574-E576 PolarHBondContact O-N 3.35Å
575	T	28	Very low	33	Very low	134 Å²	134	107.7 Å²	107.7	82%	0.822	64%	0.639	S	S	*	*			trans	-71.8	98.6	160.8	38.6	0	0	0	0	107.7	Q573 T577	Q573-T575 PolarHBondContact O-N 3.22Å; T575-T577 PolarHBondContact O-N 3.49Å
576	E	26.4	Very low	31.5	Very low	164 Å²	164	110.4 Å²	110.4	77%	0.766	67%	0.667	S	S	*	*			trans	-55.9	112.2	166.7	-70.7	-172.4	170.1	0	0	108.8	P574 T578	P574-E576 PolarHBondContact O-N 3.35Å; E576-T578 PolarHBondContact O-N 3.15Å
577	T	29.9	Very low	30.6	Very low	131 Å²	131	112.9 Å²	112.9	80%	0.804	69%	0.692	S	S	*	*			trans	-70.9	84	167.9	44.9	0	0	0	0	108.5	T575 N579	T575-T577 PolarHBondContact O-N 3.49Å; T577-N579 PolarHBondContact O-N 2.9Å
578	T	29.3	Very low	30.5	Very low	116 Å²	116	116.4 Å²	116.4	71%	0.712	71%	0.71	S	S	*	*			trans	-64.4	115.1	172	41.5	0	0	0	0	109.1	E576	E576-T578 PolarHBondContact O-N 3.15Å
579	N	29	Very low	30.6	Very low	145 Å²	145	119.4 Å²	119.4	78%	0.775	73%	0.731	S	S	*	*			trans	-61	130.5	176.7	-78.2	-40.7	0	0	0	109.9	T577 T581	T577-N579 PolarHBondContact O-N 2.9Å; N579-T581 PolarHBondContact O-N 3.34Å
580	P	29.3	Very low	31	Very low	122 Å²	122	121.6 Å²	121.6	79%	0.792	74%	0.737	S	S	*	*	S	Bend	trans	-86.6	67.7	-169.5	35.5	-37.6	0	0	0	112.8
581	T	29.6	Very low	31.2	Very low	124 Å²	124	126.9 Å²	126.9	76%	0.761	76%	0.76	S	S	*	*			trans	-163.1	107.5	165.2	41.6	0	0	0	0	112.5	N579	N579-T581 PolarHBondContact O-N 3.34Å
582	S	31.2	Very low	31.9	Very low	118 Å²	118	126.8 Å²	126.8	83%	0.825	77%	0.766	S	S	*	*				171.9	119.8	125.4	40.3	0	0	0	0	111.8
583	T	30.2	Very low	32.2	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	78%	0.782	S	S	*	*			trans	-53.2	136.8	168.5	35.3	0	0	0	0	113.8
584	V	33.6	Very low	32.9	Very low	144 Å²	144	124.4 Å²	124.4	87%	0.873	78%	0.781	S	S	*	*			trans	-121.1	138.1	153.9	179.5	0	0	0	0	108.4
585	I	34.9	Very low	33.3	Very low	153 Å²	153	128.2 Å²	128.2	79%	0.785	79%	0.79	S	S	*	*			trans	-113.9	135.5	-165.2	-65.9	168	0	0	0	110.4
586	G	31.7	Very low	33.4	Very low	68 Å²	68	126.8 Å²	126.8	70%	0.701	79%	0.792	S	S	*	*			trans	76.3	157.7	162.5	0	0	0	0	0	116.1
587	S	35	Very low	33.7	Very low	107 Å²	107	124 Å²	124	75%	0.748	80%	0.797	S	S	*	*			cis	-171.2	155	-4.5	43	0	0	0	0	110.7
588	S	37	Very low	33.9	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	80%	0.799	S	S	*	*			trans	63.6	146	166.4	53.7	0	0	0	0	118.2
589	S	37.6	Very low	33.9	Very low	108 Å²	108	130 Å²	130	76%	0.755	81%	0.808	S	S	*	*			cis	-170.5	172.6	-5.7	41.2	0	0	0	0	111.7
590	S	38.8	Very low	33.9	Very low	103 Å²	103	126.9 Å²	126.9	72%	0.72	81%	0.809	S	S	*	*			trans	71.4	107.9	178.8	69.7	0	0	0	0	115.7
591	E	36.7	Very low	33.9	Very low	195 Å²	195	126.4 Å²	126.4	91%	0.911	81%	0.809	S	S	*	*				74.2	128.3	72.8	-69.6	176.3	167.3	0	0	112.2
592	A	39.9	Very low	33.8	Very low	98 Å²	98	129.2 Å²	129.2	81%	0.81	82%	0.815	S	S	*	*			cis	-148.4	175	22.3	0	0	0	0	0	113.2
593	P	37	Very low	33.6	Very low	120 Å²	120	131.9 Å²	131.9	78%	0.779	82%	0.819	S	S	*	*			trans	-123.8	-165.9	-151.8	45.8	-36.4	0	0	0	118.6
594	S	37.3	Very low	33.5	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	82%	0.818	S	S	*	*			trans	90.1	137.9	173.2	78.6	0	0	0	0	116.1
595	Q	36.2	Very low	33.2	Very low	185 Å²	185	130.2 Å²	130.2	86%	0.864	81%	0.814	S	S	*	*			cis	-132	135.3	12	-60	166.5	1.1	0	0	108.7
596	A	30.3	Very low	32.8	Very low	104 Å²	104	127.4 Å²	127.4	86%	0.86	81%	0.808	S	S	*	*				80.7	78.1	57.2	0	0	0	0	0	116
597	A	34	Very low	32.6	Very low	106 Å²	106	130.4 Å²	130.4	88%	0.876	81%	0.813	S	S	*	*			trans	-149.1	142.6	154	0	0	0	0	0	110
598	Q	33.3	Very low	32.3	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	82%	0.815	S	S	*	*			trans	-102.4	137.3	-156.5	-70.5	171.5	-40.4	0	0	116.1
599	H	28.6	Very low	31.7	Very low	193 Å²	193	133.1 Å²	133.1	89%	0.894	81%	0.812	S	S	*	*			trans	42.2	125.6	137.1	-70.7	-99.4	0	0	0	121.9
600	G	30.3	Very low	31.4	Very low	78 Å²	78	132.8 Å²	132.8	80%	0.804	81%	0.807	S	S	*	*			trans	179.5	80.7	162.1	0	0	0	0	0	112.4
601	S	28.1	Very low	30.8	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	81%	0.806	S	S	*	*			trans	-73.4	126.5	-176.5	174.7	0	0	0	0	112.8
602	M	28.9	Very low	30.5	Very low	183 Å²	183	128.9 Å²	128.9	90%	0.901	80%	0.801	S	S	*	*			trans	-137.8	122.1	147.7	-70.5	-159.4	84.5	0	0	110.4	S604	M602-S604 PolarHBondContact O-N 2.92Å
603	L	25.3	Very low	30.5	Very low	174 Å²	174	128.5 Å²	128.5	91%	0.911	79%	0.792	S	S	*	*			trans	-66.2	122.6	167.9	-70.5	158.3	0	0	0	108.8
604	S	29.4	Very low	31.4	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	77%	0.773	S	S	*	*			trans	-131.8	123.4	173	-176.4	0	0	0	0	109.8	M602 S606	M602-S604 PolarHBondContact O-N 2.92Å; S604-S606 PolarHBondContact O-N 3.11Å; S604-S606 VanDerWaalsContact O-N 3.09Å
605	T	26.4	Very low	32.5	Very low	130 Å²	130	125.2 Å²	125.2	80%	0.798	76%	0.756	S	S	*	*			trans	-67.4	102.2	174.5	48.3	0	0	0	0	109.4	V607	T605-V607 PolarHBondContact O-N 3.06Å
606	S	26.6	Very low	33.9	Very low	95 Å²	95	116.5 Å²	116.5	66%	0.664	72%	0.716	S	S	*	*			trans	-69	95.5	177.4	56.9	0	0	0	0	110.8	S604 H608	S604-S606 PolarHBondContact O-N 3.11Å; S604-S606 VanDerWaalsContact O-N 3.09Å; S606-H608 PolarHBondContact O-N 3.48Å; S606-H608 VanDerWaalsContact O-N 3.08Å
607	V	29	Very low	36.2	Very low	130 Å²	130	118.2 Å²	118.2	79%	0.788	70%	0.704	S	S	*	*			trans	-60.9	109.5	165.3	-178.9	0	0	0	0	107.4	T605 S609	T605-V607 PolarHBondContact O-N 3.06Å; V607-S609 PolarHBondContact O-N 3.24Å; V607-S609 VanDerWaalsContact O-N 3.07Å
608	H	27.2	Very low	38.9	Very low	172 Å²	172	115.4 Å²	115.4	80%	0.796	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.5	116.5	178.9	-81.6	-69.6	0	0	0	110.3	S606	S606-H608 PolarHBondContact O-N 3.48Å; S606-H608 VanDerWaalsContact O-N 3.08Å
609	S	25	Very low	41.8	Very low	107 Å²	107	106.8 Å²	106.8	75%	0.748	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-62.8	132.6	167.6	-46.2	0	0	0	0	108.7	V607 C611	V607-S609 PolarHBondContact O-N 3.24Å; V607-S609 VanDerWaalsContact O-N 3.07Å; S609-C611 PolarHBondContact O-N 3.42Å
610	P	30.8	Very low	45	Very low	101 Å²	101	97.6 Å²	97.6	66%	0.656	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-60.5	126.3	173.8	-15.4	27.3	0	0	0	108.8	S612	P610-S612 PolarHBondContact O-N 2.93Å
611	C	26.7	Very low	48.1	Very low	102 Å²	102	93.9 Å²	93.9	69%	0.689	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-58.1	127	-179.8	-169.8	0	0	0	0	109.8	S609 S613	S609-C611 PolarHBondContact O-N 3.42Å; C611-S613 PolarHBondContact O-N 3.16Å; C611-S613 PolarHBondContact SG-OG 2.97Å
612	S	29.6	Very low	51.4	Low	115 Å²	115	88.6 Å²	88.6	80%	0.804	51%	0.512	S	S	*	.			trans	-73.9	9.9	-170.5	60.8	0	0	0	0	114.8	P610	P610-S612 PolarHBondContact O-N 2.93Å
613	S	41.3	Very low	54.6	Low	89 Å²	89	79.9 Å²	79.9	62%	0.622	47%	0.469	S	S	*	.	S	Bend	trans	-93.7	105.5	-178.7	60.1	0	0	0	0	112.3	C611	C611-S613 PolarHBondContact O-N 3.16Å; C611-S613 PolarHBondContact SG-OG 2.97Å
614	S	54.9	Low	57.9	Low	56 Å²	56	74.6 Å²	74.6	39%	0.392	44%	0.444	S	S	.	.			trans	86.2	60.6	162	-143.4	0	0	0	0	118	G565	G565-S614 WeakPolarHBondContact O-CB 3.14Å; G565-S614 VanDerWaalsContact O-O 3.13Å; G565-S614 PolarHBondContact O-OG 3.18Å
615	Y	59.9	Low	60.9	Low	109 Å²	109	71.6 Å²	71.6	43%	0.427	42%	0.42	S	S	.	.			trans	-66.9	149.2	149.2	-71.6	-75.6	0	0	0	110.7	A521 P522 K617	A521-Y615 HydrophobicContact CB-CD1 4.04Å; A521-Y615 HydrophobicContact CB-CE1 3.96Å; P522-Y615 HydrophobicContact CG-CD1 4.48Å; Y615-K617 PolarHBondContact O-N 3.23Å
616	P	66.1	Low	64.1	Low	2 Å²	2	70.7 Å²	70.7	1%	0.013	40%	0.402	C	S	.	.			trans	-60.8	132.6	170.7	26.1	-33.5	0	0	0	110.2	L520 L563 S564 V633	L520-P616 HydrophobicContact CD1-CG 4.33Å; L520-P616 WeakPolarHBondContact O-CD 3.48Å; L520-P616 WeakPolarHBondContact O-CG 3.49Å; L563-P616 HydrophobicContact CB-CB 4.28Å; S564-P616 WeakPolarHBondContact O-CA 3.35Å; S564-P616 WeakPolarHBondContact O-CB 3.38Å; P616-V633 HydrophobicContact CG-CG2 4.3Å; P616-V633 WeakPolarHBondContact O-CB 3.35Å; P616-V633 VanDerWaalsContact O-CG2 3.31Å; P616-V633 WeakPolarHBondContact O-CG2 3.32Å
617	K	79.6	Confident	67.3	Low	140 Å²	140	66.2 Å²	66.2	61%	0.609	37%	0.37	S	S	*	.			trans	-95.4	-29.6	178.2	-61.6	-172.6	179.1	-175.8	0	112.1	S564 Y615 D632 V633	S564-K617 PolarHBondContact OG-N 3.3Å; S564-K617 VanDerWaalsContact OG-N 3.07Å; Y615-K617 PolarHBondContact O-N 3.23Å; K617-D632 CarbonylContact O-C 3.52Å; K617-D632 WeakPolarHBondContact O-CA 3.45Å; K617-V633 PolarHBondContact O-N 3.15Å
618	Y	90	Very high	70.4	Confident	47 Å²	47	60.1 Å²	60.1	18%	0.184	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.4	-167.5	-50.9	-53.9	0	0	0	111.6	S564 L631 I638 W657 I681	S564-Y618 PolarHBondContact N-O 2.94Å; S564-Y618 PolarHBondContact OG-N 2.89Å; Y618-L631 CarbonylContact C-O 3.57Å; Y618-L631 VanDerWaalsContact CA-O 3.25Å; Y618-L631 WeakPolarHBondContact CA-O 3.48Å; Y618-I638 HydrophobicContact CD1-CD1 3.38Å; Y618-I638 HydrophobicContact CE1-CD1 3.62Å; Y618-I638 HydrophobicContact CG-CD1 4.47Å; Y618-W657 HydrophobicContact CD2-CH2 4.11Å; Y618-W657 HydrophobicContact CD2-CZ3 4.43Å; Y618-W657 HydrophobicContact CG-CH2 4.43Å; Y618-I681 HydrophobicContact CD1-CD1 3.89Å; Y618-I681 HydrophobicContact CD2-CD1 3.81Å; Y618-I681 HydrophobicContact CE1-CB 4.37Å; Y618-I681 HydrophobicContact CE1-CD1 3.89Å; Y618-I681 HydrophobicContact CE1-CG2 3.93Å; Y618-I681 HydrophobicContact CE2-CB 4.38Å; Y618-I681 HydrophobicContact CE2-CD1 3.8Å; Y618-I681 HydrophobicContact CG-CD1 3.87Å
619	I	93.5	Very high	73.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.1	174.2	-54.4	157.9	0	0	0	107.5	L520 I529 I539 L563 L621 I630 L631 D632	L520-I619 HydrophobicContact CD1-CD1 4.38Å; L520-I619 HydrophobicContact CD1-CG1 4.33Å; I529-I619 HydrophobicContact CD1-CB 4.42Å; I529-I619 HydrophobicContact CD1-CD1 3.52Å; I529-I619 HydrophobicContact CD1-CG1 3.93Å; I529-I619 HydrophobicContact CD1-CG2 3.64Å; I539-I619 HydrophobicContact CD1-CD1 4.25Å; L563-I619 HydrophobicContact CD2-CB 4.13Å; L563-I619 HydrophobicContact CD2-CG1 3.67Å; L563-I619 HydrophobicContact CD2-CG2 4.02Å; I619-L621 HydrophobicContact CG2-CD2 3.69Å; I619-L621 HydrophobicContact CG2-CG 4.24Å; I619-I630 WeakPolarHBondContact O-CA 3.5Å; I619-L631 HydrophobicContact CB-CB 4.25Å; I619-L631 HydrophobicContact CB-CD1 4.48Å; I619-L631 HydrophobicContact CG2-CD1 4.5Å; I619-L631 PolarHBondContact N-O 3.05Å; I619-L631 PolarHBondContact O-N 3.47Å; I619-D632 VanDerWaalsContact CD1-O 3.28Å; I619-D632 WeakPolarHBondContact CD1-O 3.45Å
620	A	95.2	Very high	76.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.1	173.1	0	0	0	0	0	110.3	L561 G562 I628 I630 V655 W657 F665	L561-A620 WeakPolarHBondContact CA-O 3.43Å; L561-A620 WeakPolarHBondContact CB-O 3.41Å; G562-A620 PolarHBondContact N-O 2.99Å; G562-A620 PolarHBondContact O-N 3.1Å; A620-I628 HydrophobicContact CB-CG2 4.4Å; A620-I630 HydrophobicContact CB-CG1 4.42Å; A620-V655 HydrophobicContact CB-CB 4.46Å; A620-V655 HydrophobicContact CB-CG2 3.69Å; A620-W657 HydrophobicContact CB-CZ2 4.24Å; A620-F665 HydrophobicContact CB-CE2 3.56Å; A620-F665 HydrophobicContact CB-CZ 3.76Å
621	L	96.4	Very high	79.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	105.2	-177	-55.9	179.8	0	0	0	109.6	C537 T554 I558 L561 I619 L623 I628 K629 L631	C537-L621 HydrophobicContact CB-CD1 3.85Å; C537-L621 HydrophobicContact CB-CD2 4.21Å; T554-L621 HydrophobicContact CG2-CD1 3.94Å; I558-L621 HydrophobicContact CD1-CD1 4.22Å; I558-L621 HydrophobicContact CG2-CB 4.1Å; I558-L621 HydrophobicContact CG2-CD2 4.19Å; L561-L621 HydrophobicContact CB-CD2 3.87Å; L561-L621 HydrophobicContact CD2-CD2 4.32Å; I619-L621 HydrophobicContact CG2-CD2 3.69Å; I619-L621 HydrophobicContact CG2-CG 4.24Å; L621-L623 HydrophobicContact CB-CD2 4.46Å; L621-I628 WeakPolarHBondContact O-CA 3.5Å; L621-K629 HydrophobicContact CB-CB 4.3Å; L621-K629 PolarHBondContact N-O 3.37Å; L621-K629 PolarHBondContact O-N 3.43Å; L621-L631 HydrophobicContact CD1-CD1 3.64Å; L621-L631 HydrophobicContact CD1-CG 4.44Å; L621-L631 HydrophobicContact CG-CD1 4.22Å
622	P	96.4	Very high	82.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.9	173	29.3	-28.2	0	0	0	109.8	I558 N559 R560 V652 V655	I558-P622 WeakPolarHBondContact CA-O 3.5Å; N559-P622 HydrophobicContact CB-CG 4.34Å; N559-P622 PolarHBondContact N-O 3.22Å; R560-P622 VanDerWaalsContact O-CG 3.26Å; R560-P622 WeakPolarHBondContact O-CG 3.26Å; P622-V652 HydrophobicContact CB-CB 3.78Å; P622-V652 HydrophobicContact CB-CG1 3.56Å; P622-V655 HydrophobicContact CB-CG1 4.07Å; P622-V655 HydrophobicContact CB-CG2 4.48Å; P622-V655 HydrophobicContact CG-CG1 4.48Å; P622-V655 HydrophobicContact CG-CG2 4.05Å
623	L	96.3	Very high	85.3	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-114.4	146.3	-172.3	-53.6	176.2	0	0	0	111.7	T554 A556 A557 I558 L621 N625 R626 G627 V652	T554-L623 HydrophobicContact CG2-CD2 4.1Å; A556-L623 HydrophobicContact CB-CB 4.33Å; A557-L623 WeakPolarHBondContact O-CA 3.28Å; I558-L623 HydrophobicContact CB-CD2 4.43Å; I558-L623 HydrophobicContact CG1-CD2 3.79Å; L621-L623 HydrophobicContact CB-CD2 4.46Å; L623-N625 WeakPolarHBondContact CB-OD1 3.49Å; L623-N625 PolarHBondContact O-N 3.38Å; L623-N625 VanDerWaalsContact O-N 3.13Å; L623-R626 PolarHBondContact O-N 2.97Å; L623-G627 VanDerWaalsContact CB-O 3.25Å; L623-G627 WeakPolarHBondContact CB-O 3.36Å; L623-G627 WeakPolarHBondContact CG-O 3.28Å; L623-G627 PolarHBondContact N-O 2.93Å; L623-V652 PolarHBondContact O-N 3.45Å
624	V	94.5	Very high	87.3	Confident	64 Å²	64	36.5 Å²	36.5	39%	0.388	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29	175.6	175.9	0	0	0	0	112	A557 R626 M651	A557-V624 HydrophobicContact CB-CB 4.44Å; A557-V624 HydrophobicContact CB-CG2 3.84Å; A557-V624 PolarHBondContact O-N 3.3Å; V624-R626 PolarHBondContact O-N 3.33Å; V624-R626 VanDerWaalsContact O-N 3.15Å; V624-M651 HydrophobicContact CG1-CB 4.38Å; V624-M651 WeakPolarHBondContact O-CB 3.49Å
625	N	93.7	Very high	88.7	Confident	45 Å²	45	34.4 Å²	34.4	24%	0.241	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	30	175.6	75.6	3.8	0	0	0	115	D555 A556 L623 G627 R640	D555-N625 PolarHBondContact OD2-ND2 3.16Å; D555-N625 PolarHBondContact OD2-OD1 2.77Å; A556-N625 HydrophobicContact CB-CB 3.77Å; A556-N625 VanDerWaalsContact CB-CG 3.44Å; A556-N625 WeakPolarHBondContact CB-ND2 3.22Å; L623-N625 WeakPolarHBondContact CB-OD1 3.49Å; L623-N625 PolarHBondContact O-N 3.38Å; L623-N625 VanDerWaalsContact O-N 3.13Å; N625-G627 PolarHBondContact O-N 3.05Å; N625-G627 VanDerWaalsContact O-N 3.08Å; N625-R640 PolarHBondContact OD1-NH2 3.21Å
626	R	93.9	Very high	90	Very high	111 Å²	111	33.7 Å²	33.7	42%	0.419	17%	0.167	S	C	.	.	S	Bend	trans	69.7	-4.8	172.7	-38.5	-176.7	-68.2	-162.6	-0	116.2	L623 V624 S649 R650 V652	L623-R626 PolarHBondContact O-N 2.97Å; V624-R626 PolarHBondContact O-N 3.33Å; V624-R626 VanDerWaalsContact O-N 3.15Å; R626-S649 WeakPolarHBondContact CD-O 3.36Å; R626-S649 PolarHBondContact NH1-O 3.47Å; R626-R650 WeakPolarHBondContact CG-O 3.48Å; R626-V652 WeakPolarHBondContact O-CG2 3.39Å
627	G	92.5	Very high	91.1	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.			trans	-90.4	161.8	177.3	0	0	0	0	0	113.4	L623 N625	L623-G627 VanDerWaalsContact CB-O 3.25Å; L623-G627 WeakPolarHBondContact CB-O 3.36Å; L623-G627 WeakPolarHBondContact CG-O 3.28Å; L623-G627 PolarHBondContact N-O 2.93Å; N625-G627 PolarHBondContact O-N 3.05Å; N625-G627 VanDerWaalsContact O-N 3.08Å
628	I	94.8	Very high	91.5	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.6	173.7	-57.4	163.8	0	0	0	107.6	A620 L621 R640 L641 V652 V655 F665 S667	A620-I628 HydrophobicContact CB-CG2 4.4Å; L621-I628 WeakPolarHBondContact O-CA 3.5Å; I628-R640 CarbonylContact O-C 3.51Å; I628-R640 VanDerWaalsContact O-CA 3.26Å; I628-R640 WeakPolarHBondContact O-CA 3.37Å; I628-R640 VanDerWaalsContact O-CG 3.26Å; I628-R640 WeakPolarHBondContact O-CG 3.49Å; I628-L641 HydrophobicContact CB-CB 4.15Å; I628-L641 HydrophobicContact CB-CD1 4.06Å; I628-L641 HydrophobicContact CB-CG 4.3Å; I628-L641 HydrophobicContact CD1-CD1 3.88Å; I628-L641 HydrophobicContact CG2-CD1 4.18Å; I628-L641 PolarHBondContact O-N 2.82Å; I628-V652 HydrophobicContact CD1-CG1 4.03Å; I628-V652 HydrophobicContact CD1-CG2 4.34Å; I628-V652 HydrophobicContact CG1-CB 4.36Å; I628-V652 HydrophobicContact CG1-CG1 4.01Å; I628-V652 HydrophobicContact CG1-CG2 3.99Å; I628-V655 HydrophobicContact CD1-CG1 3.93Å; I628-V655 HydrophobicContact CG1-CG1 4.24Å; I628-V655 HydrophobicContact CG2-CG1 4.14Å; I628-F665 HydrophobicContact CD1-CE1 4.26Å; I628-F665 HydrophobicContact CG2-CE1 4.39Å; I628-F665 HydrophobicContact CG2-CZ 4.03Å; I628-S667 VanDerWaalsContact CD1-CB 3.45Å
629	K	93.9	Very high	91.4	Very high	27 Å²	27	32.2 Å²	32.2	12%	0.117	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.3	177.4	-167.7	-176.1	-175.7	-167.9	0	108.8	R553 T554 L621 L631	R553-K629 PolarHBondContact O-NZ 3.22Å; T554-K629 HydrophobicContact CG2-CD 4.09Å; L621-K629 HydrophobicContact CB-CB 4.3Å; L621-K629 PolarHBondContact N-O 3.37Å; L621-K629 PolarHBondContact O-N 3.43Å; K629-L631 HydrophobicContact CD-CD2 4.1Å; K629-L631 HydrophobicContact CG-CD2 4.13Å
630	I	93.4	Very high	91.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.3	177.6	-59.3	-174.4	0	0	0	109.8	F214 I619 A620 I638 G639 L641 W657 I679 I681	F214-I630 HydrophobicContact CZ-CD1 4.29Å; I619-I630 WeakPolarHBondContact O-CA 3.5Å; A620-I630 HydrophobicContact CB-CG1 4.42Å; I630-I638 HydrophobicContact CG2-CB 4.4Å; I630-I638 HydrophobicContact CG2-CD1 4.42Å; I630-I638 PolarHBondContact O-N 3.36Å; I630-G639 PolarHBondContact N-O 2.98Å; I630-G639 PolarHBondContact O-N 3.36Å; I630-L641 HydrophobicContact CD1-CG 4.37Å; I630-W657 HydrophobicContact CD1-CH2 4.29Å; I630-W657 HydrophobicContact CD1-CZ2 4.36Å; I630-W657 HydrophobicContact CG2-CZ2 4.39Å; I630-I679 HydrophobicContact CD1-CD1 3.65Å; I630-I681 HydrophobicContact CG2-CD1 4.1Å
631	L	92.2	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.5	-176.5	-45.4	168.8	0	0	0	109.8	I552 Y618 I619 L621 K629 N636 R637	I552-L631 HydrophobicContact CD1-CD1 3.66Å; I552-L631 HydrophobicContact CG2-CD1 4.22Å; I552-L631 HydrophobicContact CG2-CD2 4.46Å; Y618-L631 CarbonylContact C-O 3.57Å; Y618-L631 VanDerWaalsContact CA-O 3.25Å; Y618-L631 WeakPolarHBondContact CA-O 3.48Å; I619-L631 HydrophobicContact CB-CB 4.25Å; I619-L631 HydrophobicContact CB-CD1 4.48Å; I619-L631 HydrophobicContact CG2-CD1 4.5Å; I619-L631 PolarHBondContact N-O 3.05Å; I619-L631 PolarHBondContact O-N 3.47Å; L621-L631 HydrophobicContact CD1-CD1 3.64Å; L621-L631 HydrophobicContact CD1-CG 4.44Å; L621-L631 HydrophobicContact CG-CD1 4.22Å; K629-L631 HydrophobicContact CD-CD2 4.1Å; K629-L631 HydrophobicContact CG-CD2 4.13Å; L631-N636 CarbonylContact C-O 3.55Å; L631-N636 WeakPolarHBondContact CA-O 3.32Å; L631-N636 WeakPolarHBondContact CB-O 3.44Å; L631-R637 HydrophobicContact CD2-CB 4.3Å
632	D	88.2	Confident	89.7	Confident	20 Å²	20	36.4 Å²	36.4	11%	0.107	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	172	162	83.2	-8.7	0	0	0	111	K617 I619 N634 G635 N636 I638	K617-D632 CarbonylContact O-C 3.52Å; K617-D632 WeakPolarHBondContact O-CA 3.45Å; I619-D632 VanDerWaalsContact CD1-O 3.28Å; I619-D632 WeakPolarHBondContact CD1-O 3.45Å; D632-N634 PolarHBondContact O-N 3.3Å; D632-N634 WeakPolarHBondContact OD1-CA 3.5Å; D632-N634 WeakPolarHBondContact OD1-CB 3.42Å; D632-N634 PolarHBondContact OD1-N 2.97Å; D632-N634 PolarHBondContact OD2-ND2 3.36Å; D632-N634 VanDerWaalsContact OD2-ND2 3.07Å; D632-G635 PolarHBondContact O-N 3.12Å; D632-G635 VanDerWaalsContact O-N 3.09Å; D632-G635 PolarHBondContact OD1-N 3.13Å; D632-N636 PolarHBondContact N-O 3.15Å; D632-N636 WeakPolarHBondContact OD1-CB 3.43Å; D632-N636 PolarHBondContact OD1-N 2.71Å; D632-N636 PolarHBondContact OD1-ND2 3.45Å; D632-N636 PolarHBondContact OD2-ND2 2.99Å; D632-I638 HydrophobicContact CB-CD1 4.07Å; D632-I638 HydrophobicContact CB-CG1 4.45Å
633	V	84.3	Confident	88.6	Confident	42 Å²	42	42.4 Å²	42.4	26%	0.255	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.5	177.7	71	0	0	0	0	114.2	L520 P616 K617	L520-V633 HydrophobicContact CD1-CG2 3.95Å; L520-V633 HydrophobicContact CD2-CG2 4.34Å; L520-V633 HydrophobicContact CG-CG2 4.01Å; P616-V633 HydrophobicContact CG-CG2 4.3Å; P616-V633 WeakPolarHBondContact O-CB 3.35Å; P616-V633 VanDerWaalsContact O-CG2 3.31Å; P616-V633 WeakPolarHBondContact O-CG2 3.32Å; K617-V633 PolarHBondContact O-N 3.15Å
634	N	83.6	Confident	87.2	Confident	101 Å²	101	44.5 Å²	44.5	54%	0.54	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.1	177.8	-51.8	-62.3	0	0	0	112.4	D632	D632-N634 PolarHBondContact O-N 3.3Å; D632-N634 WeakPolarHBondContact OD1-CA 3.5Å; D632-N634 WeakPolarHBondContact OD1-CB 3.42Å; D632-N634 PolarHBondContact OD1-N 2.97Å; D632-N634 PolarHBondContact OD2-ND2 3.36Å; D632-N634 VanDerWaalsContact OD2-ND2 3.07Å
635	G	84.9	Confident	85.8	Confident	11 Å²	11	46.2 Å²	46.2	11%	0.113	23%	0.229	C	C	.	.	S	Bend	trans	97	0.8	-177.9	0	0	0	0	0	115.4	D632	D632-G635 PolarHBondContact O-N 3.12Å; D632-G635 VanDerWaalsContact O-N 3.09Å; D632-G635 PolarHBondContact OD1-N 3.13Å
636	N	87.7	Confident	85.2	Confident	94 Å²	94	47.3 Å²	47.3	50%	0.503	23%	0.232	S	C	.	.			trans	-65.5	138.9	176.1	-59.9	-53.4	0	0	0	110.2	L631 D632 I638	L631-N636 CarbonylContact C-O 3.55Å; L631-N636 WeakPolarHBondContact CA-O 3.32Å; L631-N636 WeakPolarHBondContact CB-O 3.44Å; D632-N636 PolarHBondContact N-O 3.15Å; D632-N636 WeakPolarHBondContact OD1-CB 3.43Å; D632-N636 PolarHBondContact OD1-N 2.71Å; D632-N636 PolarHBondContact OD1-ND2 3.45Å; D632-N636 PolarHBondContact OD2-ND2 2.99Å; N636-I638 PolarHBondContact O-N 3.34Å
637	R	88.5	Confident	84.9	Confident	155 Å²	155	42.3 Å²	42.3	59%	0.585	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	117.3	-178.3	178.2	-173.6	172.8	-162.5	-7.2	110.6	L631	L631-R637 HydrophobicContact CD2-CB 4.3Å
638	I	87.5	Confident	84.9	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-44.6	170.6	-60.5	173.3	0	0	0	110.5	H217 Y618 I630 D632 N636 I681	H217-I638 PolarHBondContact CD2-O 3.47Å; Y618-I638 HydrophobicContact CD1-CD1 3.38Å; Y618-I638 HydrophobicContact CE1-CD1 3.62Å; Y618-I638 HydrophobicContact CG-CD1 4.47Å; I630-I638 HydrophobicContact CG2-CB 4.4Å; I630-I638 HydrophobicContact CG2-CD1 4.42Å; I630-I638 PolarHBondContact O-N 3.36Å; D632-I638 HydrophobicContact CB-CD1 4.07Å; D632-I638 HydrophobicContact CB-CG1 4.45Å; N636-I638 PolarHBondContact O-N 3.34Å; I638-I681 HydrophobicContact CD1-CD1 4.25Å; I638-I681 HydrophobicContact CD1-CG2 4.27Å; I638-I681 HydrophobicContact CG2-CD1 4.28Å; I638-I681 HydrophobicContact CG2-CG1 4.16Å; I638-I681 HydrophobicContact CG2-CG2 3.95Å
639	G	87.7	Confident	84.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	180	-168.3	-171.9	0	0	0	0	0	115.8	I630	I630-G639 PolarHBondContact N-O 2.98Å; I630-G639 PolarHBondContact O-N 3.36Å
640	R	89.1	Confident	84.6	Confident	56 Å²	56	50.5 Å²	50.5	21%	0.211	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	133.8	174.6	-162.3	-150.1	-175.7	92.4	2.3	108.7	D555 N625 I628 R643	D555-R640 IonicContact OD1-CZ 3.63Å; D555-R640 IonicContact OD1-NH1 3.04Å; D555-R640 PolarHBondContact OD1-NH1 2.88Å; D555-R640 IonicContact OD1-NH2 3.74Å; D555-R640 IonicContact OD2-CZ 3.05Å; D555-R640 VanDerWaalsContact OD2-CZ 3.25Å; D555-R640 IonicContact OD2-NH1 3.77Å; D555-R640 PolarHBondContact OD2-NH1 3.03Å; D555-R640 IonicContact OD2-NH2 3.62Å; D555-R640 PolarHBondContact OD2-NH2 3.1Å; N625-R640 PolarHBondContact OD1-NH2 3.21Å; I628-R640 CarbonylContact O-C 3.51Å; I628-R640 VanDerWaalsContact O-CA 3.26Å; I628-R640 WeakPolarHBondContact O-CA 3.37Å; I628-R640 VanDerWaalsContact O-CG 3.26Å; I628-R640 WeakPolarHBondContact O-CG 3.49Å; R640-R643 VanDerWaalsContact CZ-NE 3.33Å
641	L	88	Confident	84.6	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	159.2	164.6	-55.1	177.1	0	0	0	109.6	F214 F221 I628 I630 F665 W677 I679	F214-L641 HydrophobicContact CE1-CD2 3.98Å; F214-L641 HydrophobicContact CZ-CD2 3.99Å; F221-L641 HydrophobicContact CB-CD2 3.58Å; F221-L641 HydrophobicContact CD1-CD2 3.94Å; F221-L641 HydrophobicContact CD2-CD2 3.51Å; F221-L641 HydrophobicContact CE1-CD2 4.5Å; F221-L641 HydrophobicContact CE2-CD2 4.11Å; F221-L641 HydrophobicContact CG-CD2 3.4Å; I628-L641 HydrophobicContact CB-CB 4.15Å; I628-L641 HydrophobicContact CB-CD1 4.06Å; I628-L641 HydrophobicContact CB-CG 4.3Å; I628-L641 HydrophobicContact CD1-CD1 3.88Å; I628-L641 HydrophobicContact CG2-CD1 4.18Å; I628-L641 PolarHBondContact O-N 2.82Å; I630-L641 HydrophobicContact CD1-CG 4.37Å; L641-F665 HydrophobicContact CD1-CD1 4.14Å; L641-F665 HydrophobicContact CD1-CE1 3.65Å; L641-W677 HydrophobicContact CD1-CD2 4.27Å; L641-I679 HydrophobicContact CD1-CD1 4.09Å; L641-I679 HydrophobicContact CD2-CD1 4.16Å
642	T	73.5	Confident	84.8	Confident	31 Å²	31	53.6 Å²	53.6	19%	0.19	27%	0.272	C	S	.	.			trans	-60.7	151	-167.7	-171.2	0	0	0	0	114.3	F210 S644 H646 W677	F210-T642 HydrophobicContact CE1-CG2 4.26Å; T642-S644 VanDerWaalsContact OG1-CB 3.24Å; T642-S644 WeakPolarHBondContact OG1-CB 3.33Å; T642-S644 PolarHBondContact OG1-N 2.94Å; T642-S644 PolarHBondContact OG1-OG 3.2Å; T642-H646 HydrophobicContact CG2-CB 4.25Å; T642-W677 HydrophobicContact CG2-CH2 4.47Å
643	R	72.8	Confident	85.2	Confident	125 Å²	125	52.9 Å²	52.9	47%	0.472	27%	0.269	S	S	.	.			trans	-98	1	163.9	-63.4	-172.7	-175	161.7	0.6	112.8	D555 R640	D555-R643 IonicContact OD2-CZ 2.88Å; D555-R643 IonicContact OD2-NE 2.92Å; D555-R643 IonicContact OD2-NH2 3.35Å; D555-R643 PolarHBondContact OD2-NH2 3.46Å; R640-R643 VanDerWaalsContact CZ-NE 3.33Å
644	S	65.6	Low	85.9	Confident	44 Å²	44	51 Å²	51	31%	0.308	26%	0.258	S	S	.	.	S	Bend	trans	-72.7	175.9	-175.2	69.4	0	0	0	0	112.2	T642 H646 G647	T642-S644 VanDerWaalsContact OG1-CB 3.24Å; T642-S644 WeakPolarHBondContact OG1-CB 3.33Å; T642-S644 PolarHBondContact OG1-N 2.94Å; T642-S644 PolarHBondContact OG1-OG 3.2Å; S644-H646 PolarHBondContact O-N 3.23Å; S644-H646 PolarHBondContact OG-N 3.02Å; S644-H646 PolarHBondContact OG-ND1 2.92Å; S644-G647 PolarHBondContact O-N 3.47Å
645	S	66.1	Low	86.5	Confident	101 Å²	101	46.4 Å²	46.4	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-21.3	167.4	47.8	0	0	0	0	114.7	R226 G647	R226-S645 PolarHBondContact NH2-O 3.45Å; S645-G647 VanDerWaalsContact C-N 3.28Å; S645-G647 PolarHBondContact O-N 3.26Å
646	H	80.8	Confident	87	Confident	68 Å²	68	46.2 Å²	46.2	32%	0.315	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.8	-179.4	-55.3	69.7	0	0	0	113	F210 L223 R226 T642 S644	F210-H646 HydrophobicContact CB-CB 4.14Å; F210-H646 HydrophobicContact CD1-CB 4.08Å; F210-H646 HydrophobicContact CD2-CB 4.06Å; F210-H646 AromaticContact CD2-CD2 3.21Å; F210-H646 WeakPolarHBondContact CD2-CD2 3.36Å; F210-H646 AromaticContact CD2-CG 3.64Å; F210-H646 AromaticContact CD2-NE2 3.7Å; F210-H646 AromaticContact CE2-CD2 3.96Å; F210-H646 HydrophobicContact CG-CB 3.81Å; F210-H646 AromaticContact CG-CD2 3.64Å; F210-H646 AromaticContact CG-CG 3.9Å; L223-H646 WeakPolarHBondContact CD2-O 3.4Å; R226-H646 PolarHBondContact NH2-O 3.44Å; T642-H646 HydrophobicContact CG2-CB 4.25Å; S644-H646 PolarHBondContact O-N 3.23Å; S644-H646 PolarHBondContact OG-N 3.02Å; S644-H646 PolarHBondContact OG-ND1 2.92Å
647	G	88.1	Confident	87.3	Confident	5 Å²	5	42.8 Å²	42.8	5%	0.052	21%	0.211	C	C	.	.	S	Bend	trans	-97.2	-148.6	174.6	0	0	0	0	0	113.3	R226 S644 S645	R226-G647 PolarHBondContact NH1-O 2.84Å; S644-G647 PolarHBondContact O-N 3.47Å; S645-G647 VanDerWaalsContact C-N 3.28Å; S645-G647 PolarHBondContact O-N 3.26Å
648	H	91.8	Very high	87.4	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.023	19%	0.185	C	C	.	.			trans	-77.7	145.3	167.6	-73.4	-78.5	0	0	0	111	R650 V652 S667 S668 G669 D671 L673 L675	H648-R650 WeakPolarHBondContact CB-O 3.48Å; H648-V652 HydrophobicContact CB-CG2 4.35Å; H648-S667 WeakPolarHBondContact NE2-CB 3.33Å; H648-S667 PolarHBondContact NE2-O 3.06Å; H648-S667 PolarHBondContact NE2-OG 2.93Å; H648-S668 VanDerWaalsContact CE1-C 3.49Å; H648-G669 PolarHBondContact CE1-N 3.33Å; H648-G669 WeakPolarHBondContact ND1-CA 3.37Å; H648-D671 WeakPolarHBondContact CA-OD2 3.26Å; H648-D671 WeakPolarHBondContact CB-OD2 3.25Å; H648-D671 IonicContact CE1-OD1 3.52Å; H648-D671 IonicContact CG-OD1 3.62Å; H648-D671 IonicContact CG-OD2 3.98Å; H648-D671 IonicContact ND1-OD1 2.77Å; H648-D671 PolarHBondContact ND1-OD1 3.39Å; H648-D671 IonicContact ND1-OD2 2.94Å; H648-D671 PolarHBondContact ND1-OD2 2.84Å; H648-D671 VanDerWaalsContact ND1-OD2 3.14Å; H648-L673 PolarHBondContact CE1-O 3.5Å; H648-L675 WeakPolarHBondContact NE2-CD1 3.35Å
649	S	90.9	Very high	87.2	Confident	78 Å²	78	40 Å²	40	55%	0.545	21%	0.208	S	C	.	.	S	Bend	trans	-82	-29.4	176	68.7	0	0	0	0	112.1	R626 D671	R626-S649 WeakPolarHBondContact CD-O 3.36Å; R626-S649 PolarHBondContact NH1-O 3.47Å; S649-D671 PolarHBondContact N-OD2 2.97Å; S649-D671 VanDerWaalsContact OG-CB 3.28Å; S649-D671 WeakPolarHBondContact OG-CB 3.27Å; S649-D671 PolarHBondContact OG-OD2 3.17Å
650	R	92.1	Very high	87.1	Confident	119 Å²	119	44.5 Å²	44.5	45%	0.449	23%	0.23	S	C	.	.	S	Bend	trans	-112.9	-176.2	175	-58.7	177.2	82.7	-167.9	16.2	110.7	R626 H648 F670 D671	R626-R650 WeakPolarHBondContact CG-O 3.48Å; H648-R650 WeakPolarHBondContact CB-O 3.48Å; R650-F670 HydrophobicContact CB-CB 4.32Å; R650-F670 WeakPolarHBondContact CD-O 3.48Å; R650-F670 VanDerWaalsContact NH1-CD1 3.27Å; R650-F670 PolarHBondContact NH1-O 3.1Å; R650-D671 HydrophobicContact CB-CB 3.98Å; R650-D671 HydrophobicContact CG-CB 4Å
651	M	93.8	Very high	86.9	Confident	65 Å²	65	43.9 Å²	43.9	32%	0.32	24%	0.24	S	C	.	.			trans	-58.2	144.7	-178.2	64.2	177.7	114.7	0	0	112.8	V624 T653 G669 F670	V624-M651 HydrophobicContact CG1-CB 4.38Å; V624-M651 WeakPolarHBondContact O-CB 3.49Å; M651-T653 HydrophobicContact CG-CG2 4.34Å; M651-G669 WeakPolarHBondContact O-CA 3.48Å; M651-F670 HydrophobicContact CE-CD1 4.16Å; M651-F670 HydrophobicContact CE-CG 4.43Å; M651-F670 HydrophobicContact CG-CB 3.7Å; M651-F670 PolarHBondContact O-N 3.07Å
652	V	96.2	Very high	86.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.7	170.1	-166	0	0	0	0	108.1	N559 P622 L623 R626 I628 H648 V655 S668	N559-V652 PolarHBondContact ND2-O 3.17Å; P622-V652 HydrophobicContact CB-CB 3.78Å; P622-V652 HydrophobicContact CB-CG1 3.56Å; L623-V652 PolarHBondContact O-N 3.45Å; R626-V652 WeakPolarHBondContact O-CG2 3.39Å; I628-V652 HydrophobicContact CD1-CG1 4.03Å; I628-V652 HydrophobicContact CD1-CG2 4.34Å; I628-V652 HydrophobicContact CG1-CB 4.36Å; I628-V652 HydrophobicContact CG1-CG1 4.01Å; I628-V652 HydrophobicContact CG1-CG2 3.99Å; H648-V652 HydrophobicContact CB-CG2 4.35Å; V652-V655 HydrophobicContact CG1-CG1 4.16Å; V652-S668 WeakPolarHBondContact CA-O 3.48Å; V652-S668 VanDerWaalsContact CG1-O 3.25Å; V652-S668 WeakPolarHBondContact CG1-O 3.28Å
653	T	96.9	Very high	87.7	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-40.3	-172.5	49.8	0	0	0	0	112.2	I234 W235 N559 R560 M651 S668 F670	I234-T653 VanDerWaalsContact O-CB 3.23Å; I234-T653 WeakPolarHBondContact O-CB 3.47Å; I234-T653 VanDerWaalsContact O-CG2 3.27Å; I234-T653 WeakPolarHBondContact O-CG2 3.33Å; I234-T653 PolarHBondContact O-OG1 3.35Å; W235-T653 HydrophobicContact CE3-CG2 4.34Å; N559-T653 WeakPolarHBondContact CB-O 3.17Å; R560-T653 PolarHBondContact N-O 3.05Å; M651-T653 HydrophobicContact CG-CG2 4.34Å; T653-S668 PolarHBondContact N-O 3.36Å; T653-S668 PolarHBondContact OG1-O 3.11Å; T653-S668 VanDerWaalsContact OG1-O 3.05Å; T653-S668 PolarHBondContact OG1-OG 2.85Å; T653-F670 HydrophobicContact CG2-CB 4.01Å
654	C	97.5	Very high	88.6	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	160.7	-179.3	-169.1	0	0	0	0	110.8	V237 R560 S668	V237-C654 HydrophobicContact CG1-CB 4.21Å; R560-C654 HydrophobicContact CB-CB 4.06Å; R560-C654 WeakPolarHBondContact O-CA 3.4Å; C654-S668 WeakPolarHBondContact CB-OG 3.35Å; C654-S668 PolarHBondContact N-OG 3.15Å; C654-S668 PolarHBondContact O-N 3.23Å; C654-S668 PolarHBondContact O-OG 3.34Å
655	V	97	Very high	90	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142	174.6	-72	0	0	0	0	110	G562 A620 P622 I628 V652 F665 F666	G562-V655 WeakPolarHBondContact CA-O 3.48Å; A620-V655 HydrophobicContact CB-CB 4.46Å; A620-V655 HydrophobicContact CB-CG2 3.69Å; P622-V655 HydrophobicContact CB-CG1 4.07Å; P622-V655 HydrophobicContact CB-CG2 4.48Å; P622-V655 HydrophobicContact CG-CG1 4.48Å; P622-V655 HydrophobicContact CG-CG2 4.05Å; I628-V655 HydrophobicContact CD1-CG1 3.93Å; I628-V655 HydrophobicContact CG1-CG1 4.24Å; I628-V655 HydrophobicContact CG2-CG1 4.14Å; V652-V655 HydrophobicContact CG1-CG1 4.16Å; V655-F665 HydrophobicContact CB-CE1 4.41Å; V655-F665 HydrophobicContact CB-CE2 3.95Å; V655-F665 HydrophobicContact CB-CZ 3.56Å; V655-F665 HydrophobicContact CG1-CE1 4.12Å; V655-F665 HydrophobicContact CG1-CE2 4.47Å; V655-F665 HydrophobicContact CG1-CZ 3.59Å; V655-F665 HydrophobicContact CG2-CE2 4.45Å; V655-F665 HydrophobicContact CG2-CZ 4.23Å; V655-F666 CarbonylContact C-O 3.57Å; V655-F666 VanDerWaalsContact CA-O 3.25Å; V655-F666 WeakPolarHBondContact CA-O 3.42Å
656	A	95.6	Very high	91.4	Very high	8 Å²	8	35.3 Å²	35.3	7%	0.066	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.3	177.8	0	0	0	0	0	110.7	V237 F665 F666	V237-A656 HydrophobicContact CG1-CB 4.04Å; V237-A656 HydrophobicContact CG2-CB 4.23Å; A656-F665 WeakPolarHBondContact O-CA 3.44Å; A656-F666 PolarHBondContact N-O 3.2Å; A656-F666 PolarHBondContact O-N 3.07Å
657	W	93.4	Very high	92.2	Very high	21 Å²	21	32 Å²	32	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	141.2	166.4	-64.8	87.7	0	0	0	109	S239 S564 Y618 A620 I630 N664 F665 I679 I681	S239-W657 WeakPolarHBondContact CB-O 3.32Å; S239-W657 PolarHBondContact OG-O 3.02Å; S564-W657 VanDerWaalsContact N-CD1 3.27Å; Y618-W657 HydrophobicContact CD2-CH2 4.11Å; Y618-W657 HydrophobicContact CD2-CZ3 4.43Å; Y618-W657 HydrophobicContact CG-CH2 4.43Å; A620-W657 HydrophobicContact CB-CZ2 4.24Å; I630-W657 HydrophobicContact CD1-CH2 4.29Å; I630-W657 HydrophobicContact CD1-CZ2 4.36Å; I630-W657 HydrophobicContact CG2-CZ2 4.39Å; W657-N664 WeakPolarHBondContact CA-O 3.47Å; W657-F665 AromaticContact CD2-CD2 3.55Å; W657-F665 HydrophobicContact CD2-CD2 3.55Å; W657-F665 HydrophobicContact CD2-CE2 4.09Å; W657-F665 AromaticContact CE2-CD2 3.65Å; W657-F665 AromaticContact CE2-CE2 3.73Å; W657-F665 HydrophobicContact CE3-CB 4.3Å; W657-F665 AromaticContact CE3-CD2 3.77Å; W657-F665 HydrophobicContact CE3-CD2 3.77Å; W657-F665 HydrophobicContact CE3-CG 4.49Å; W657-F665 HydrophobicContact CG-CD2 4.02Å; W657-F665 HydrophobicContact CG-CE2 4.43Å; W657-F665 HydrophobicContact CH2-CD2 4.19Å; W657-F665 AromaticContact CZ2-CD2 3.99Å; W657-F665 HydrophobicContact CZ2-CD2 3.99Å; W657-F665 HydrophobicContact CZ2-CE2 4.03Å; W657-F665 HydrophobicContact CZ3-CB 4.45Å; W657-F665 HydrophobicContact CZ3-CD2 4.08Å; W657-F665 AromaticContact NE1-CE2 3.85Å; W657-I679 HydrophobicContact CH2-CD1 4.41Å; W657-I679 HydrophobicContact CH2-CG2 4.39Å; W657-I679 HydrophobicContact CZ3-CB 4.44Å; W657-I679 HydrophobicContact CZ3-CG2 4.48Å; W657-I681 HydrophobicContact CH2-CD1 4.27Å
658	A	91.6	Very high	92.6	Very high	7 Å²	7	31.8 Å²	31.8	6%	0.058	18%	0.176	C	C	.	.			trans	-114.8	131.6	173.9	0	0	0	0	0	109.8	I244 N664 F666	I244-A658 HydrophobicContact CD1-CB 4.24Å; A658-N664 PolarHBondContact N-O 3.29Å; A658-F666 HydrophobicContact CB-CD2 4.13Å; A658-F666 HydrophobicContact CB-CE2 3.75Å
659	N	82.8	Confident	92.7	Very high	93 Å²	93	31.6 Å²	31.6	50%	0.497	18%	0.175	S	C	.	.	S	Bend	trans	-90.8	-15.2	179.6	-55.3	-40.1	0	0	0	112.4	Y566	Y566-N659 PolarHBondContact O-ND2 2.92Å
660	E	85.2	Confident	92.8	Very high	95 Å²	95	29.4 Å²	29.4	44%	0.444	16%	0.156	S	C	.	.	S	Bend	trans	-136.5	153.1	-178.8	-65.2	172	-143.3	0	0	111.2	R241 R242 N258	R241-E660 WeakPolarHBondContact CA-OE2 3.21Å; R241-E660 WeakPolarHBondContact CB-OE2 3.44Å; R242-E660 HydrophobicContact CG-CB 3.98Å; R242-E660 PolarHBondContact N-OE2 2.8Å; N258-E660 PolarHBondContact ND2-O 3.48Å
661	G	84.5	Confident	92.8	Very high	42 Å²	42	25.2 Å²	25.2	43%	0.433	14%	0.142	S	C	.	.	S	Bend	trans	101.9	-166.7	-179.4	0	0	0	0	0	113.1	N258	N258-G661 WeakPolarHBondContact ND2-CA 3.41Å; N258-G661 WeakPolarHBondContact O-CA 3.5Å
662	V	87.5	Confident	92.7	Very high	74 Å²	74	22.4 Å²	22.4	45%	0.448	13%	0.13	S	C	.	.	S	Bend	trans	-81.2	-34.2	-171.9	-179.3	0	0	0	0	112.6	N258 Q678	N258-V662 PolarHBondContact O-N 2.92Å; N258-V662 VanDerWaalsContact O-N 3.12Å; N258-V662 PolarHBondContact OD1-N 3.16Å; V662-Q678 PolarHBondContact O-OE1 2.96Å
663	H	91.1	Very high	92.6	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.037	14%	0.14	C	C	.	.			trans	-112.5	142.7	-179.2	-50.7	-49.4	0	0	0	110.6	M224 N258 F666 A676	M224-H663 WeakPolarHBondContact CB-CE1 3.26Å; M224-H663 WeakPolarHBondContact CB-ND1 3.44Å; N258-H663 PolarHBondContact ND2-O 3.05Å; N258-H663 PolarHBondContact OD1-N 2.92Å; H663-F666 HydrophobicContact CB-CE1 4.45Å; H663-F666 HydrophobicContact CB-CE2 4.14Å; H663-F666 HydrophobicContact CB-CZ 3.77Å; H663-A676 HydrophobicContact CB-CB 4.14Å
664	N	92.4	Very high	92.6	Very high	41 Å²	41	24 Å²	24	22%	0.219	14%	0.138	C	C	.	.	S	Bend	trans	-105.5	-5	-175.5	71.4	-9.2	0	0	0	114.7	W657 A658 W677 I679	W657-N664 WeakPolarHBondContact CA-O 3.47Å; A658-N664 PolarHBondContact N-O 3.29Å; N664-W677 PolarHBondContact N-O 3.26Å; N664-W677 PolarHBondContact OD1-O 3.28Å; N664-I679 PolarHBondContact ND2-O 2.84Å; N664-I679 PolarHBondContact OD1-N 2.9Å
665	F	94.7	Very high	92.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	140.8	178.6	-175	-98.1	0	0	0	112	A620 I628 L641 V655 A656 W657 W677 I679	A620-F665 HydrophobicContact CB-CE2 3.56Å; A620-F665 HydrophobicContact CB-CZ 3.76Å; I628-F665 HydrophobicContact CD1-CE1 4.26Å; I628-F665 HydrophobicContact CG2-CE1 4.39Å; I628-F665 HydrophobicContact CG2-CZ 4.03Å; L641-F665 HydrophobicContact CD1-CD1 4.14Å; L641-F665 HydrophobicContact CD1-CE1 3.65Å; V655-F665 HydrophobicContact CB-CE1 4.41Å; V655-F665 HydrophobicContact CB-CE2 3.95Å; V655-F665 HydrophobicContact CB-CZ 3.56Å; V655-F665 HydrophobicContact CG1-CE1 4.12Å; V655-F665 HydrophobicContact CG1-CE2 4.47Å; V655-F665 HydrophobicContact CG1-CZ 3.59Å; V655-F665 HydrophobicContact CG2-CE2 4.45Å; V655-F665 HydrophobicContact CG2-CZ 4.23Å; A656-F665 WeakPolarHBondContact O-CA 3.44Å; W657-F665 AromaticContact CD2-CD2 3.55Å; W657-F665 HydrophobicContact CD2-CD2 3.55Å; W657-F665 HydrophobicContact CD2-CE2 4.09Å; W657-F665 AromaticContact CE2-CD2 3.65Å; W657-F665 AromaticContact CE2-CE2 3.73Å; W657-F665 HydrophobicContact CE3-CB 4.3Å; W657-F665 AromaticContact CE3-CD2 3.77Å; W657-F665 HydrophobicContact CE3-CD2 3.77Å; W657-F665 HydrophobicContact CE3-CG 4.49Å; W657-F665 HydrophobicContact CG-CD2 4.02Å; W657-F665 HydrophobicContact CG-CE2 4.43Å; W657-F665 HydrophobicContact CH2-CD2 4.19Å; W657-F665 AromaticContact CZ2-CD2 3.99Å; W657-F665 HydrophobicContact CZ2-CD2 3.99Å; W657-F665 HydrophobicContact CZ2-CE2 4.03Å; W657-F665 HydrophobicContact CZ3-CB 4.45Å; W657-F665 HydrophobicContact CZ3-CD2 4.08Å; W657-F665 AromaticContact NE1-CE2 3.85Å; F665-W677 HydrophobicContact CB-CB 4.21Å; F665-W677 HydrophobicContact CD1-CB 4.06Å; F665-W677 AromaticContact CD1-CD1 3.68Å; F665-W677 AromaticContact CD1-CG 4Å; F665-W677 HydrophobicContact CD1-CG 4Å; F665-W677 PolarHBondContact N-O 3.48Å; F665-W677 PolarHBondContact O-N 3.2Å; F665-I679 HydrophobicContact CB-CD1 3.67Å; F665-I679 HydrophobicContact CB-CG1 3.98Å; F665-I679 HydrophobicContact CD1-CD1 3.47Å; F665-I679 VanDerWaalsContact CD1-CD1 3.47Å; F665-I679 HydrophobicContact CD1-CG1 4.42Å; F665-I679 HydrophobicContact CD2-CD1 4.15Å; F665-I679 HydrophobicContact CE1-CD1 4.09Å; F665-I679 HydrophobicContact CG-CD1 3.48Å; F665-I679 VanDerWaalsContact CG-CD1 3.48Å; F665-I679 HydrophobicContact CG-CG1 4.33Å
666	F	96.1	Very high	92.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.2	-177.3	-68.2	-91.3	0	0	0	110.5	V237 I244 N258 L262 V655 A656 A658 H663 L674 L675 A676	V237-F666 HydrophobicContact CG2-CB 4.12Å; I244-F666 HydrophobicContact CD1-CD2 3.64Å; I244-F666 HydrophobicContact CD1-CE1 4.33Å; I244-F666 HydrophobicContact CD1-CE2 3.35Å; I244-F666 HydrophobicContact CD1-CG 4.26Å; I244-F666 HydrophobicContact CD1-CZ 3.72Å; I244-F666 HydrophobicContact CG1-CD1 4.43Å; I244-F666 HydrophobicContact CG1-CD2 4.31Å; I244-F666 HydrophobicContact CG1-CE1 3.97Å; I244-F666 HydrophobicContact CG1-CE2 3.88Å; I244-F666 HydrophobicContact CG1-CZ 3.67Å; I244-F666 HydrophobicContact CG2-CD1 4.46Å; N258-F666 HydrophobicContact CB-CZ 4.48Å; L262-F666 HydrophobicContact CD1-CE1 4.12Å; L262-F666 HydrophobicContact CD2-CE1 3.75Å; L262-F666 HydrophobicContact CD2-CZ 4.05Å; V655-F666 CarbonylContact C-O 3.57Å; V655-F666 VanDerWaalsContact CA-O 3.25Å; V655-F666 WeakPolarHBondContact CA-O 3.42Å; A656-F666 PolarHBondContact N-O 3.2Å; A656-F666 PolarHBondContact O-N 3.07Å; A658-F666 HydrophobicContact CB-CD2 4.13Å; A658-F666 HydrophobicContact CB-CE2 3.75Å; H663-F666 HydrophobicContact CB-CE1 4.45Å; H663-F666 HydrophobicContact CB-CE2 4.14Å; H663-F666 HydrophobicContact CB-CZ 3.77Å; F666-L674 HydrophobicContact CB-CD1 4.15Å; F666-L674 HydrophobicContact CD1-CD1 3.97Å; F666-L674 HydrophobicContact CD1-CD2 4.47Å; F666-L674 HydrophobicContact CD1-CG 4.28Å; F666-L675 WeakPolarHBondContact CA-O 3.38Å; F666-A676 HydrophobicContact CD1-CB 3.84Å; F666-A676 HydrophobicContact CE1-CB 3.5Å; F666-A676 VanDerWaalsContact CE1-CB 3.5Å; F666-A676 HydrophobicContact CZ-CB 4.28Å
667	S	96.4	Very high	92.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.1	170.2	64.6	0	0	0	0	111.1	I628 H648 L675 W677	I628-S667 VanDerWaalsContact CD1-CB 3.45Å; H648-S667 WeakPolarHBondContact NE2-CB 3.33Å; H648-S667 PolarHBondContact NE2-O 3.06Å; H648-S667 PolarHBondContact NE2-OG 2.93Å; S667-L675 PolarHBondContact N-O 2.86Å; S667-L675 PolarHBondContact O-N 2.96Å; S667-W677 PolarHBondContact OG-NE1 2.94Å
668	S	96.4	Very high	92.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.9	172.7	64.4	0	0	0	0	110.3	H648 V652 T653 C654	H648-S668 VanDerWaalsContact CE1-C 3.49Å; V652-S668 WeakPolarHBondContact CA-O 3.48Å; V652-S668 VanDerWaalsContact CG1-O 3.25Å; V652-S668 WeakPolarHBondContact CG1-O 3.28Å; T653-S668 PolarHBondContact N-O 3.36Å; T653-S668 PolarHBondContact OG1-O 3.11Å; T653-S668 VanDerWaalsContact OG1-O 3.05Å; T653-S668 PolarHBondContact OG1-OG 2.85Å; C654-S668 WeakPolarHBondContact CB-OG 3.35Å; C654-S668 PolarHBondContact N-OG 3.15Å; C654-S668 PolarHBondContact O-N 3.23Å; C654-S668 PolarHBondContact O-OG 3.34Å
669	G	94.4	Very high	92.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.9	177.5	0	0	0	0	0	112.9	I234 H648 M651 D671 G672 L673	I234-G669 PolarHBondContact N-O 3Å; H648-G669 PolarHBondContact CE1-N 3.33Å; H648-G669 WeakPolarHBondContact ND1-CA 3.37Å; M651-G669 WeakPolarHBondContact O-CA 3.48Å; G669-D671 VanDerWaalsContact CA-OD1 3.29Å; G669-D671 WeakPolarHBondContact CA-OD1 3.13Å; G669-D671 PolarHBondContact O-N 3.43Å; G669-D671 VanDerWaalsContact O-N 3.14Å; G669-G672 PolarHBondContact O-N 3.3Å; G669-L673 PolarHBondContact N-O 2.93Å
670	F	94.2	Very high	92.4	Very high	33 Å²	33	27.2 Å²	27.2	15%	0.145	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	3.3	169.5	-156.2	-120.7	0	0	0	112	G233 W235 R650 M651 T653 G672	G233-F670 WeakPolarHBondContact CA-O 3.19Å; W235-F670 HydrophobicContact CE3-CD2 4.49Å; W235-F670 AromaticContact CH2-CD2 3.95Å; W235-F670 HydrophobicContact CH2-CD2 3.95Å; W235-F670 AromaticContact CH2-CE2 3.44Å; W235-F670 HydrophobicContact CH2-CE2 3.44Å; W235-F670 VanDerWaalsContact CH2-CE2 3.44Å; W235-F670 HydrophobicContact CH2-CZ 4.07Å; W235-F670 HydrophobicContact CZ2-CD2 4.26Å; W235-F670 AromaticContact CZ2-CE2 3.49Å; W235-F670 HydrophobicContact CZ2-CE2 3.49Å; W235-F670 VanDerWaalsContact CZ2-CE2 3.49Å; W235-F670 HydrophobicContact CZ2-CZ 4.2Å; W235-F670 HydrophobicContact CZ3-CD2 4.07Å; W235-F670 HydrophobicContact CZ3-CE2 4.04Å; R650-F670 HydrophobicContact CB-CB 4.32Å; R650-F670 WeakPolarHBondContact CD-O 3.48Å; R650-F670 VanDerWaalsContact NH1-CD1 3.27Å; R650-F670 PolarHBondContact NH1-O 3.1Å; M651-F670 HydrophobicContact CE-CD1 4.16Å; M651-F670 HydrophobicContact CE-CG 4.43Å; M651-F670 HydrophobicContact CG-CB 3.7Å; M651-F670 PolarHBondContact O-N 3.07Å; T653-F670 HydrophobicContact CG2-CB 4.01Å; F670-G672 VanDerWaalsContact C-N 3.33Å
671	D	92.2	Very high	92.3	Very high	31 Å²	31	23.8 Å²	23.8	17%	0.166	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6.3	171.1	54.5	4.5	0	0	0	113.8	H648 S649 R650 G669 L673	H648-D671 WeakPolarHBondContact CA-OD2 3.26Å; H648-D671 WeakPolarHBondContact CB-OD2 3.25Å; H648-D671 IonicContact CE1-OD1 3.52Å; H648-D671 IonicContact CG-OD1 3.62Å; H648-D671 IonicContact CG-OD2 3.98Å; H648-D671 IonicContact ND1-OD1 2.77Å; H648-D671 PolarHBondContact ND1-OD1 3.39Å; H648-D671 IonicContact ND1-OD2 2.94Å; H648-D671 PolarHBondContact ND1-OD2 2.84Å; H648-D671 VanDerWaalsContact ND1-OD2 3.14Å; S649-D671 PolarHBondContact N-OD2 2.97Å; S649-D671 VanDerWaalsContact OG-CB 3.28Å; S649-D671 WeakPolarHBondContact OG-CB 3.27Å; S649-D671 PolarHBondContact OG-OD2 3.17Å; R650-D671 HydrophobicContact CB-CB 3.98Å; R650-D671 HydrophobicContact CG-CB 4Å; G669-D671 VanDerWaalsContact CA-OD1 3.29Å; G669-D671 WeakPolarHBondContact CA-OD1 3.13Å; G669-D671 PolarHBondContact O-N 3.43Å; G669-D671 VanDerWaalsContact O-N 3.14Å; D671-L673 PolarHBondContact O-N 3Å; D671-L673 PolarHBondContact OD1-N 3.4Å
672	G	91.4	Very high	91.6	Very high	6 Å²	6	23 Å²	23	6%	0.062	12%	0.117	C	C	.	.	S	Bend	trans	77.2	1.7	179.6	0	0	0	0	0	114	G669 F670	G669-G672 PolarHBondContact O-N 3.3Å; F670-G672 VanDerWaalsContact C-N 3.33Å
673	L	94.4	Very high	90.2	Very high	39 Å²	39	27.3 Å²	27.3	20%	0.204	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.8	-178.6	-60.4	-180	0	0	0	112	A228 H648 G669 D671 L675	A228-L673 HydrophobicContact CB-CD2 3.82Å; H648-L673 PolarHBondContact CE1-O 3.5Å; G669-L673 PolarHBondContact N-O 2.93Å; D671-L673 PolarHBondContact O-N 3Å; D671-L673 PolarHBondContact OD1-N 3.4Å; L673-L675 HydrophobicContact CB-CD2 4.21Å; L673-L675 HydrophobicContact CD1-CD2 4.37Å
674	L	95.4	Very high	88	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.6	159.1	173.9	66.8	0	0	0	107.9	V227 I234 V237 I244 T246 W256 F666	V227-L674 HydrophobicContact CB-CB 4.25Å; V227-L674 PolarHBondContact N-O 2.74Å; V227-L674 PolarHBondContact O-N 2.84Å; I234-L674 HydrophobicContact CD1-CB 4.26Å; V237-L674 HydrophobicContact CB-CD1 4.43Å; V237-L674 HydrophobicContact CG2-CD1 3.83Å; I244-L674 HydrophobicContact CG2-CD2 4.27Å; T246-L674 HydrophobicContact CG2-CD1 4.07Å; T246-L674 HydrophobicContact CG2-CD2 4.02Å; T246-L674 HydrophobicContact CG2-CG 4.44Å; W256-L674 HydrophobicContact CD2-CD2 4.44Å; W256-L674 HydrophobicContact CG-CD2 4.26Å; F666-L674 HydrophobicContact CB-CD1 4.15Å; F666-L674 HydrophobicContact CD1-CD1 3.97Å; F666-L674 HydrophobicContact CD1-CD2 4.47Å; F666-L674 HydrophobicContact CD1-CG 4.28Å
675	L	94.4	Very high	87.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.6	176.7	-54.9	-178.2	0	0	0	109.7	L223 R226 H648 F666 S667 L673 W677	L223-L675 HydrophobicContact CD1-CB 3.95Å; L223-L675 HydrophobicContact CD1-CD2 4.44Å; R226-L675 HydrophobicContact CB-CD2 4.08Å; R226-L675 HydrophobicContact CG-CD2 3.76Å; H648-L675 WeakPolarHBondContact NE2-CD1 3.35Å; F666-L675 WeakPolarHBondContact CA-O 3.38Å; S667-L675 PolarHBondContact N-O 2.86Å; S667-L675 PolarHBondContact O-N 2.96Å; L673-L675 HydrophobicContact CB-CD2 4.21Å; L673-L675 HydrophobicContact CD1-CD2 4.37Å; L675-W677 HydrophobicContact CB-CZ2 4.21Å; L675-W677 HydrophobicContact CD1-CZ2 3.83Å
676	A	94.8	Very high	87.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129	179.5	0	0	0	0	0	111.2	M224 N225 L262 H663 F666	M224-A676 PolarHBondContact N-O 3.04Å; N225-A676 HydrophobicContact CB-CB 4.23Å; N225-A676 PolarHBondContact N-O 2.82Å; N225-A676 PolarHBondContact O-N 3.24Å; L262-A676 HydrophobicContact CD1-CB 3.4Å; H663-A676 HydrophobicContact CB-CB 4.14Å; F666-A676 HydrophobicContact CD1-CB 3.84Å; F666-A676 HydrophobicContact CE1-CB 3.5Å; F666-A676 VanDerWaalsContact CE1-CB 3.5Å; F666-A676 HydrophobicContact CZ-CB 4.28Å
677	W	93.8	Very high	86.9	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.015	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.1	-170.1	-52	83.2	0	0	0	110.7	F221 Q222 L223 L641 T642 N664 F665 S667 L675 I679	F221-W677 HydrophobicContact CD2-CE3 4.32Å; F221-W677 HydrophobicContact CD2-CZ3 4.13Å; F221-W677 HydrophobicContact CE2-CZ3 4.49Å; Q222-W677 CarbonylContact O-C 3.51Å; Q222-W677 VanDerWaalsContact O-CA 3.23Å; Q222-W677 WeakPolarHBondContact O-CA 3.42Å; L223-W677 HydrophobicContact CB-CE3 3.91Å; L223-W677 HydrophobicContact CB-CH2 4.35Å; L223-W677 HydrophobicContact CB-CZ3 3.76Å; L223-W677 HydrophobicContact CD1-CD2 4.01Å; L223-W677 HydrophobicContact CD1-CE3 4.1Å; L223-W677 HydrophobicContact CD1-CH2 4.08Å; L223-W677 HydrophobicContact CD1-CZ2 4Å; L223-W677 HydrophobicContact CD1-CZ3 4.14Å; L223-W677 HydrophobicContact CG-CZ3 4.48Å; L641-W677 HydrophobicContact CD1-CD2 4.27Å; T642-W677 HydrophobicContact CG2-CH2 4.47Å; N664-W677 PolarHBondContact N-O 3.26Å; N664-W677 PolarHBondContact OD1-O 3.28Å; F665-W677 HydrophobicContact CB-CB 4.21Å; F665-W677 HydrophobicContact CD1-CB 4.06Å; F665-W677 AromaticContact CD1-CD1 3.68Å; F665-W677 AromaticContact CD1-CG 4Å; F665-W677 HydrophobicContact CD1-CG 4Å; F665-W677 PolarHBondContact N-O 3.48Å; F665-W677 PolarHBondContact O-N 3.2Å; S667-W677 PolarHBondContact OG-NE1 2.94Å; L675-W677 HydrophobicContact CB-CZ2 4.21Å; L675-W677 HydrophobicContact CD1-CZ2 3.83Å; W677-I679 HydrophobicContact CB-CG1 4.15Å
678	Q	92.2	Very high	86.4	Confident	40 Å²	40	39 Å²	39	19%	0.187	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.4	161.4	-171.4	63.8	18.1	0	0	108.6	F221 Q222 M224 V662	F221-Q678 CarbonylContact C-O 3.52Å; F221-Q678 WeakPolarHBondContact CA-O 3.46Å; Q222-Q678 HydrophobicContact CB-CB 4.35Å; Q222-Q678 PolarHBondContact N-O 2.96Å; Q222-Q678 PolarHBondContact O-N 2.99Å; M224-Q678 HydrophobicContact CG-CB 3.8Å; M224-Q678 HydrophobicContact SD-CB 4.1Å; V662-Q678 PolarHBondContact O-OE1 2.96Å
679	I	91.1	Very high	85.8	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.1	178.9	-59.4	-174.5	0	0	0	108.9	F214 F221 I630 L641 W657 N664 F665 W677 I681	F214-I679 HydrophobicContact CE2-CG2 3.91Å; F214-I679 HydrophobicContact CZ-CG2 4.07Å; F221-I679 HydrophobicContact CB-CG1 4.21Å; I630-I679 HydrophobicContact CD1-CD1 3.65Å; L641-I679 HydrophobicContact CD1-CD1 4.09Å; L641-I679 HydrophobicContact CD2-CD1 4.16Å; W657-I679 HydrophobicContact CH2-CD1 4.41Å; W657-I679 HydrophobicContact CH2-CG2 4.39Å; W657-I679 HydrophobicContact CZ3-CB 4.44Å; W657-I679 HydrophobicContact CZ3-CG2 4.48Å; N664-I679 PolarHBondContact ND2-O 2.84Å; N664-I679 PolarHBondContact OD1-N 2.9Å; F665-I679 HydrophobicContact CB-CD1 3.67Å; F665-I679 HydrophobicContact CB-CG1 3.98Å; F665-I679 HydrophobicContact CD1-CD1 3.47Å; F665-I679 VanDerWaalsContact CD1-CD1 3.47Å; F665-I679 HydrophobicContact CD1-CG1 4.42Å; F665-I679 HydrophobicContact CD2-CD1 4.15Å; F665-I679 HydrophobicContact CE1-CD1 4.09Å; F665-I679 HydrophobicContact CG-CD1 3.48Å; F665-I679 VanDerWaalsContact CG-CD1 3.48Å; F665-I679 HydrophobicContact CG-CG1 4.33Å; W677-I679 HydrophobicContact CB-CG1 4.15Å; I679-I681 HydrophobicContact CG2-CD1 4.12Å; I679-I681 HydrophobicContact CG2-CG1 3.95Å
680	R	88.8	Confident	85.2	Confident	153 Å²	153	44.2 Å²	44.2	58%	0.577	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118	113.2	171.1	-54	-179	-178.4	-168.4	-1.1	107.8	G219 N220	G219-R680 CarbonylContact C-O 3.54Å; G219-R680 WeakPolarHBondContact CA-O 3.44Å; N220-R680 PolarHBondContact N-O 2.75Å; N220-R680 PolarHBondContact O-N 2.77Å; N220-R680 VanDerWaalsContact O-O 3.1Å; N220-R680 WeakPolarHBondContact OD1-CB 3.43Å
681	I	83	Confident	84.5	Confident	23 Å²	23	45 Å²	45	12%	0.118	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-102.1	116.9	171.8	-63.6	160.8	0	0	0	105	F214 Y618 I630 I638 W657 I679 V684	F214-I681 HydrophobicContact CE2-CG1 4.11Å; Y618-I681 HydrophobicContact CD1-CD1 3.89Å; Y618-I681 HydrophobicContact CD2-CD1 3.81Å; Y618-I681 HydrophobicContact CE1-CB 4.37Å; Y618-I681 HydrophobicContact CE1-CD1 3.89Å; Y618-I681 HydrophobicContact CE1-CG2 3.93Å; Y618-I681 HydrophobicContact CE2-CB 4.38Å; Y618-I681 HydrophobicContact CE2-CD1 3.8Å; Y618-I681 HydrophobicContact CG-CD1 3.87Å; I630-I681 HydrophobicContact CG2-CD1 4.1Å; I638-I681 HydrophobicContact CD1-CD1 4.25Å; I638-I681 HydrophobicContact CD1-CG2 4.27Å; I638-I681 HydrophobicContact CG2-CD1 4.28Å; I638-I681 HydrophobicContact CG2-CG1 4.16Å; I638-I681 HydrophobicContact CG2-CG2 3.95Å; W657-I681 HydrophobicContact CH2-CD1 4.27Å; I679-I681 HydrophobicContact CG2-CD1 4.12Å; I679-I681 HydrophobicContact CG2-CG1 3.95Å; I681-V684 HydrophobicContact CG2-CG2 4.44Å
682	G	69	Low	83.9	Confident	24 Å²	24	46.1 Å²	46.1	25%	0.247	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-60.5	157.1	171.8	0	0	0	0	0	110.6	N218 V684	N218-G682 WeakPolarHBondContact O-CA 3.46Å; N218-G682 PolarHBondContact O-N 3.03Å; G682-V684 PolarHBondContact O-N 3.24Å; G682-V684 VanDerWaalsContact O-N 3.12Å
683	N	57.8	Low	83.3	Confident	165 Å²	165	49.4 Å²	49.4	88%	0.882	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-54.3	123.4	175.6	-68.2	-8.5	0	0	0	109.3
684	V	45.2	Very low	82.3	Confident	139 Å²	139	50.4 Å²	50.4	84%	0.842	26%	0.264	S	S	*	.			trans	-82.7	0	169.9	-177.5	0	0	0	0	108.3	H217 I681 G682	H217-V684 WeakPolarHBondContact CE1-CG2 3.35Å; I681-V684 HydrophobicContact CG2-CG2 4.44Å; G682-V684 PolarHBondContact O-N 3.24Å; G682-V684 VanDerWaalsContact O-N 3.12Å

Retrieved 684 of 684 residues in 146.9 ms (Link to these results)

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