A0A087YCL0_POEFO Loading...

E3 ubiquitin-protein ligase MIB2

E3 ubiquitin-protein ligase that mediates ubiquitination of Delta receptors, which act as ligands of Notch proteins. Positively regulates the Delta-mediated Notch signaling by ubiquitinating the intracellular domain of Delta, leading to endocytosis of Delta receptors.

AlphaFold DB , UniProt , Accession A0A087YCL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,011 aa.

						>A0A087YCL0_POEFO|A0A087YCL0
LFLSVTPDLFPETTLVPSLPAIPSARSASASYKARRRSSGGDCAARPRPLPAACRPGPKRGSMEVGMRVVRGLDWKWGNQDDGEGHVGTVVEIGRQGSTTTPDKTVVVQWDSGTRTNYRTGYQAAYDLLLYDNAQIGVRHSNIICDSCKKHGIMGMRWKCKVCFDYDLCTQCYMNNKHDLSHPFERYETAHSQPVNLTPRQNLPRIILKGIFQGVKVVRGPDWDWGNQDGGEGKVGKVVDIRGWDTESGRSVASVTWSNGTTNVYRMGHKGKVDLKYVSDGQGGFYYKDHLPKLGEHAELQRQESADGHSFQQGDKVKCLLEVEILRQMQEGHGGWNPKMAEYICRIGTVHRITDRGDVRVQYSNNIRWTFHPGALTKVNTFGVGELVKVLDELENVKRLQAGHGEWTDSMTPVLGQVGKVLKVYADGDLRVAFGGQTWTFNPACLTAQPAEVDANLMTAENPNESGSTVISVLEKLLSQSTEQDNPGRLVIEAAHGSANKVRELVQKYPDKVDIKNQGKTALQVAAHQGHTEVVKTLLQANSSVEVKDEDGDTALHYTAFGNQAEIARLLLSKGANVNVLNNSMCTALHIAVNKGFTDVVRVLTEHAADVNLQDSYGDTPLHDAIAKDFRSIIEILVVVPNIDFTQQNHRGFNLLHHAALKGNKLATEKILGRARQLVDVKKEDGFSALHLAALNNHRDVAEVLIKEGRCDVNIRNNRNQSPLQLAVTQGHTDLVQLLVDEGADVNMEDEDGDTAMHVALLRPQLANVMLTPSAGGSSTYGVRLLNSSGLLGNTELNVAMAIACFLAQEGADISYANHKGKSPLDLVGDSTMMQLIKNFSEKHRLQRLQAITCGQGLSSASLRRVHTTPNTMTNLVFPTPAGPSECLICSELALLVLFCPCQHSVACEECAHRMKKCIKCQVTITKKIRQDQTEVDCSPGTENSEQHNLLEQLQSRYRQMEERITCPICIDNHIKLVFQCGHASCIDCSAALKTCPICRQTIRERIQLFV
					

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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	L	31	Very low	30.3	Very low	215 Å²	215	149 Å²	149	100%	1.126	82%	0.815	S	S	*	*				0	136.5	0	-97.7	156.8	0	0	0	108.3
2	F	26.5	Very low	30.1	Very low	177 Å²	177	150.5 Å²	150.5	78%	0.776	81%	0.812	S	S	*	*			trans	88.7	83.1	-178.7	-68.1	-84.8	0	0	0	119
3	L	30	Very low	29.7	Very low	140 Å²	140	149.5 Å²	149.5	73%	0.733	81%	0.814	S	S	*	*				69	104.6	108	-74.3	162.7	0	0	0	121.9
4	S	29.9	Very low	29.5	Very low	93 Å²	93	146.5 Å²	146.5	65%	0.65	80%	0.803	S	S	*	*				21.5	131.5	121.7	62.7	0	0	0	0	121.7
5	V	26.8	Very low	29.2	Very low	144 Å²	144	146.9 Å²	146.9	87%	0.873	80%	0.803	S	S	*	*				-148.6	143.4	128.2	-177.8	0	0	0	0	109.8
6	T	28.2	Very low	29.2	Very low	128 Å²	128	145.4 Å²	145.4	79%	0.785	80%	0.799	S	S	*	*			trans	-80.2	178.6	-170.5	38.1	0	0	0	0	116
7	P	49.8	Very low	29.7	Very low	104 Å²	104	144.1 Å²	144.1	68%	0.675	80%	0.799	S	S	*	*			trans	-101.5	172.5	-157.2	41.3	-32.9	0	0	0	114.4
8	D	24.8	Very low	29.5	Very low	148 Å²	148	141 Å²	141	79%	0.791	79%	0.789	S	S	*	*			trans	164.3	138.9	135.7	-87.8	-25	0	0	0	112
9	L	25.2	Very low	29.5	Very low	169 Å²	169	141.7 Å²	141.7	89%	0.885	79%	0.79	S	S	*	*			trans	155.5	102	131.4	-82.7	156.4	0	0	0	112.3
10	F	27.1	Very low	29.8	Very low	199 Å²	199	141 Å²	141	87%	0.873	79%	0.792	S	S	*	*			trans	-90.2	156.7	144.5	-86.7	-80.9	0	0	0	108.3
11	P	34.5	Very low	29.7	Very low	122 Å²	122	137.6 Å²	137.6	79%	0.792	78%	0.782	S	S	*	*				-143.6	164.6	97.3	32.5	-13.7	0	0	0	115.9
12	E	27	Very low	29.5	Very low	167 Å²	167	134.8 Å²	134.8	78%	0.78	77%	0.766	S	S	*	*			trans	-61	161.1	179	-57.5	168.6	130.1	0	0	115.7
13	T	26	Very low	30.3	Very low	137 Å²	137	131.4 Å²	131.4	84%	0.84	76%	0.762	S	S	*	*			trans	-163.5	90.1	135.2	10	0	0	0	0	112.5
14	T	26.1	Very low	30.1	Very low	108 Å²	108	130.2 Å²	130.2	66%	0.663	77%	0.765	S	S	*	*				29.6	139.5	123.2	46.8	0	0	0	0	124.5
15	L	24.9	Very low	30	Very low	153 Å²	153	129.6 Å²	129.6	80%	0.801	77%	0.766	S	S	*	*			trans	109.7	87.9	140.7	-71.5	149.8	0	0	0	121.7
16	V	30.1	Very low	30	Very low	122 Å²	122	133.7 Å²	133.7	74%	0.739	77%	0.766	S	S	*	*				18.5	142.7	111.1	-152.8	0	0	0	0	116.1
17	P	37.3	Very low	29.9	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	76%	0.763	S	S	*	*				-155.4	176.1	53.8	42.1	-17	0	0	0	122.8
18	S	26.3	Very low	28.9	Very low	89 Å²	89	132.5 Å²	132.5	62%	0.622	77%	0.771	S	S	*	*			trans	-55.5	156.7	-176	53.3	0	0	0	0	122.8
19	L	29.2	Very low	29.1	Very low	154 Å²	154	131 Å²	131	81%	0.806	77%	0.772	S	S	*	*			trans	74.2	157	136.5	-76.4	166.7	0	0	0	118.1
20	P	36.3	Very low	29.2	Very low	127 Å²	127	127.9 Å²	127.9	83%	0.825	77%	0.771	S	S	*	*			cis	-141.4	-172.6	32.3	39.7	-16.8	0	0	0	117
21	A	26.8	Very low	29.2	Very low	70 Å²	70	123.3 Å²	123.3	58%	0.579	76%	0.764	S	S	*	*			trans	-108.6	168.8	-165.1	0	0	0	0	0	113.6
22	I	26.3	Very low	28.8	Very low	157 Å²	157	126.8 Å²	126.8	81%	0.805	76%	0.763	S	S	*	*			trans	77.6	155.9	149.2	-66.2	164.8	0	0	0	115.7
23	P	43	Very low	28.8	Very low	105 Å²	105	127.1 Å²	127.1	68%	0.682	76%	0.761	S	S	*	*			cis	-137.7	179.1	5.3	20.7	5.4	0	0	0	118.2
24	S	26.2	Very low	29	Very low	115 Å²	115	124.9 Å²	124.9	80%	0.804	76%	0.757	S	S	*	*			trans	93.8	148.8	138.6	84.5	0	0	0	0	117.9
25	A	28.2	Very low	29	Very low	80 Å²	80	130.3 Å²	130.3	66%	0.661	77%	0.765	S	S	*	*			cis	-177.7	160	-21.9	0	0	0	0	0	107
26	R	27.5	Very low	29.1	Very low	230 Å²	230	133.8 Å²	133.8	87%	0.868	77%	0.768	S	S	*	*			trans	78.5	105.8	145.1	-83	174.5	-177.5	-168.5	0.6	120.7
27	S	26.5	Very low	29.1	Very low	106 Å²	106	139.6 Å²	139.6	74%	0.741	78%	0.776	S	S	*	*				53.9	123.6	113.8	69.6	0	0	0	0	120.2
28	A	28.2	Very low	28.6	Very low	102 Å²	102	138.8 Å²	138.8	84%	0.843	77%	0.774	S	S	*	*				-163.6	128	118.8	0	0	0	0	0	111.5
29	S	27.9	Very low	28.7	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	79%	0.785	S	S	*	*			trans	-70.2	148.9	165.5	51	0	0	0	0	112.8
30	A	27.3	Very low	28.5	Very low	104 Å²	104	137.1 Å²	137.1	86%	0.86	79%	0.788	S	S	*	*			trans	-162.4	105.6	140.7	0	0	0	0	0	111.8
31	S	28	Very low	28.1	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	78%	0.783	S	S	*	*			trans	-60.5	152.1	155.4	-55.3	0	0	0	0	111.1
32	Y	25.7	Very low	28	Very low	195 Å²	195	139.1 Å²	139.1	77%	0.765	80%	0.799	S	S	*	*				177.7	132.3	114.2	-106.8	-66.7	0	0	0	115.3
33	K	26.2	Very low	28.1	Very low	173 Å²	173	137.4 Å²	137.4	75%	0.752	80%	0.799	S	S	*	*			trans	82.3	106.4	135.2	-99.4	152.3	-167.6	162	0	121.4
34	A	30.5	Very low	27.3	Very low	91 Å²	91	137 Å²	137	75%	0.752	81%	0.805	S	S	*	*			trans	-49.6	158.5	142.3	0	0	0	0	0	116
35	R	27.4	Very low	27.4	Very low	222 Å²	222	136.2 Å²	136.2	84%	0.838	81%	0.806	S	S	*	*			trans	179.7	151.2	142.7	-102.7	179.2	179.4	-158.8	1.4	107.2
36	R	26.9	Very low	27.5	Very low	226 Å²	226	144 Å²	144	85%	0.853	82%	0.818	S	S	*	*			cis	-172.9	157.3	-19.8	-127.3	-173.2	-173.8	-168	0.6	104.9
37	R	30.2	Very low	27.5	Very low	244 Å²	244	139 Å²	139	92%	0.921	82%	0.815	S	S	*	*			trans	-64.1	157.4	176	-68.2	169.3	165.8	176.2	-5.3	114.8
38	S	26	Very low	27.5	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	82%	0.822	S	S	*	*			trans	-169.1	109.9	134.2	51.3	0	0	0	0	108.1
39	S	27.5	Very low	27.6	Very low	122 Å²	122	146.5 Å²	146.5	85%	0.853	82%	0.822	S	S	*	*				74.6	119.5	69	70.5	0	0	0	0	114.8
40	G	26.2	Very low	27.7	Very low	85 Å²	85	148.7 Å²	148.7	88%	0.876	82%	0.824	S	S	*	*			trans	166	99.7	164.6	0	0	0	0	0	110.2
41	G	26.6	Very low	27.7	Very low	70 Å²	70	149.4 Å²	149.4	72%	0.722	82%	0.819	S	S	*	*			trans	-96.2	172.4	-177.3	0	0	0	0	0	113.8
42	D	26.3	Very low	27.7	Very low	169 Å²	169	149 Å²	149	90%	0.904	82%	0.823	S	S	*	*				-170.4	159.1	122.9	-100.1	-23	0	0	0	113.1
43	C	26.8	Very low	27.8	Very low	121 Å²	121	144.5 Å²	144.5	82%	0.818	83%	0.826	S	S	*	*			trans	-64	148.5	-159.8	-60	0	0	0	0	118.2
44	A	28.1	Very low	27.8	Very low	98 Å²	98	142.1 Å²	142.1	81%	0.81	83%	0.83	S	S	*	*				172.9	134.2	114.3	0	0	0	0	0	113.7
45	A	28.4	Very low	27.6	Very low	98 Å²	98	148.9 Å²	148.9	81%	0.81	84%	0.836	S	S	*	*			trans	52.3	118.1	150.8	0	0	0	0	0	121.7
46	R	28.6	Very low	27.7	Very low	244 Å²	244	144.5 Å²	144.5	92%	0.921	84%	0.836	S	S	*	*			trans	-71.2	149.5	159.9	-78.5	-178.7	172.5	-167.9	-2.4	111.1
47	P	27.4	Very low	27.7	Very low	124 Å²	124	136.7 Å²	136.7	81%	0.805	83%	0.826	S	S	*	*				-131.8	163.5	108.3	29.2	-14	0	0	0	113.4
48	R	27.9	Very low	27.7	Very low	236 Å²	236	130.1 Å²	130.1	89%	0.891	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-50.5	144	-173.7	-66	172.8	172.9	-173.1	-3.1	114.3
49	P	29.7	Very low	28	Very low	129 Å²	129	133.5 Å²	133.5	84%	0.838	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80.8	130.7	161.2	18.3	-6.6	0	0	0	111.4
50	L	29	Very low	28.3	Very low	163 Å²	163	138.1 Å²	138.1	85%	0.853	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.2	160.4	165.5	-75.4	159.2	0	0	0	111
51	P	28.9	Very low	29.1	Very low	118 Å²	118	137 Å²	137	77%	0.766	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-69.2	152	-167.6	-10.8	26	0	0	0	113.2	A53	P51-A53 PolarHBondContact O-N 3.2Å
52	A	28.1	Very low	30.8	Very low	95 Å²	95	136.5 Å²	136.5	79%	0.785	79%	0.788	S	S	*	*			trans	-36.9	123.6	174.6	0	0	0	0	0	113.7	C54	A52-C54 PolarHBondContact O-N 3.01Å
53	A	27.1	Very low	33.4	Very low	101 Å²	101	130 Å²	130	84%	0.835	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-56.2	132.9	164.2	0	0	0	0	0	109.4	P51 R55	P51-A53 PolarHBondContact O-N 3.2Å; A53-R55 PolarHBondContact O-N 3.05Å
54	C	25.7	Very low	36.3	Very low	123 Å²	123	128 Å²	128	83%	0.831	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-47.3	130.8	-172.1	-60.8	0	0	0	0	113.5	A52	A52-C54 PolarHBondContact O-N 3.01Å
55	R	26.6	Very low	39.4	Very low	233 Å²	233	126.1 Å²	126.1	88%	0.879	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-57.5	137.6	155.6	-67.3	179.6	176.3	-168.3	-2	108.4	A53 G57	A53-R55 PolarHBondContact O-N 3.05Å; R55-G57 PolarHBondContact O-N 2.92Å
56	P	30.3	Very low	42.5	Very low	129 Å²	129	121.5 Å²	121.5	84%	0.838	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63	127.4	177.6	24.7	-31.4	0	0	0	110.1
57	G	27.2	Very low	45.6	Very low	63 Å²	63	110.4 Å²	110.4	65%	0.649	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-69	161	175.5	0	0	0	0	0	112.6	R55 K59	R55-G57 PolarHBondContact O-N 2.92Å; G57-K59 PolarHBondContact O-N 3.24Å
58	P	29.5	Very low	48.9	Very low	105 Å²	105	104.8 Å²	104.8	68%	0.682	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-80.3	121.2	-175.6	19.1	-10.7	0	0	0	113.4
59	K	31.8	Very low	52.2	Low	177 Å²	177	93.6 Å²	93.6	77%	0.77	55%	0.551	S	S	*	*			trans	38.2	111.5	142.5	-57.9	-169.6	178.2	-168.2	0	120.3	G57	G57-K59 PolarHBondContact O-N 3.24Å
60	R	34.9	Very low	55.5	Low	220 Å²	220	87.4 Å²	87.4	83%	0.83	51%	0.511	S	S	*	.			trans	-73.2	130.6	158.3	-65.7	178.7	177.1	-160.9	-3.8	109.2
61	G	42.7	Very low	58.7	Low	61 Å²	61	81.1 Å²	81.1	63%	0.629	48%	0.476	S	S	*	.	S	Bend	trans	-79.7	116.5	167.1	0	0	0	0	0	110.9
62	S	62.4	Low	61.8	Low	59 Å²	59	75.6 Å²	75.6	41%	0.413	44%	0.44	S	S	.	.	S	Bend	trans	161.1	-5.9	136.9	70.7	0	0	0	0	115.4	H297	S62-H297 WeakPolarHBondContact CB-ND1 3.47Å; S62-H297 PolarHBondContact OG-CE1 3.35Å; S62-H297 PolarHBondContact OG-ND1 3.45Å; S62-H297 VanDerWaalsContact OG-ND1 3.08Å
63	M	79.9	Confident	64.8	Low	32 Å²	32	75.8 Å²	75.8	16%	0.158	43%	0.427	C	S	.	.			trans	-151.3	128	176.9	-170.7	-176.8	-62.4	0	0	111	I93 V106 T120 L294	M63-I93 HydrophobicContact CB-CD1 4.29Å; M63-I93 HydrophobicContact CG-CD1 3.89Å; M63-I93 HydrophobicContact CG-CG1 4.29Å; M63-I93 WeakPolarHBondContact O-CD1 3.19Å; M63-I93 HydrophobicContact SD-CD1 4.42Å; M63-I93 HydrophobicContact SD-CG1 4.25Å; M63-I93 HydrophobicContact SD-CG2 4.15Å; M63-V106 HydrophobicContact CE-CG1 4.3Å; M63-V106 HydrophobicContact SD-CG1 3.2Å; M63-V106 WeakPolarHBondContact SD-CG1 3.45Å; M63-T120 HydrophobicContact CE-CG2 4.11Å; M63-L294 HydrophobicContact CE-CD1 4.38Å; M63-L294 HydrophobicContact CE-CD2 4.41Å; M63-L294 HydrophobicContact CE-CG 3.86Å; M63-L294 HydrophobicContact CG-CD1 4.33Å; M63-L294 HydrophobicContact SD-CD2 4.48Å; M63-L294 HydrophobicContact SD-CG 4.42Å
64	E	88.8	Confident	68	Low	80 Å²	80	74.2 Å²	74.2	37%	0.374	41%	0.405	S	S	.	.			trans	-134	153.4	-178	-67.1	-165.4	-155.8	0	0	112.1	M67 I136	E64-M67 HydrophobicContact CB-CE 4.47Å; E64-M67 WeakPolarHBondContact O-CG 3.44Å; E64-I136 HydrophobicContact CB-CB 4.35Å; E64-I136 HydrophobicContact CB-CD1 3.98Å; E64-I136 HydrophobicContact CB-CG2 4Å; E64-I136 HydrophobicContact CG-CD1 4.44Å
65	V	92.5	Very high	71.3	Confident	59 Å²	59	70 Å²	70	36%	0.358	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	132.5	178.8	-138.5	0	0	0	0	109.6	V90 V91 I93 I136	V65-V90 WeakPolarHBondContact CG1-O 3.41Å; V65-V91 VanDerWaalsContact CG1-CA 3.47Å; V65-V91 WeakPolarHBondContact CG1-O 3.37Å; V65-I93 HydrophobicContact CG2-CD1 4.41Å; V65-I136 VanDerWaalsContact O-CG2 3.28Å; V65-I136 WeakPolarHBondContact O-CG2 3.26Å
66	G	93.3	Very high	74.6	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	109.6	-14	-177.9	0	0	0	0	0	114.9	V90 Q135 G268	G66-V90 PolarHBondContact N-O 3.23Å; G66-Q135 WeakPolarHBondContact O-CB 3.38Å; G66-G268 WeakPolarHBondContact CA-O 3.26Å
67	M	94.8	Very high	77.7	Confident	11 Å²	11	62.9 Å²	62.9	5%	0.054	33%	0.332	C	S	.	.			trans	-56.9	141.1	174.2	-71.3	179	171.8	0	0	111.6	E64 V90 L130 N133 I136 L294	E64-M67 HydrophobicContact CB-CE 4.47Å; E64-M67 WeakPolarHBondContact O-CG 3.44Å; M67-V90 HydrophobicContact CB-CB 4.48Å; M67-V90 HydrophobicContact CB-CG2 4.22Å; M67-V90 PolarHBondContact O-N 3.08Å; M67-L130 HydrophobicContact CB-CD1 3.83Å; M67-L130 HydrophobicContact CG-CD1 4.07Å; M67-L130 HydrophobicContact SD-CD1 4.02Å; M67-N133 HydrophobicContact CG-CB 4.45Å; M67-I136 HydrophobicContact CE-CD1 3.36Å; M67-I136 HydrophobicContact CG-CD1 4.03Å; M67-I136 HydrophobicContact CG-CG1 4.38Å; M67-I136 HydrophobicContact CG-CG2 4.01Å; M67-L294 HydrophobicContact SD-CD1 3.89Å
68	R	96.2	Very high	80.9	Confident	7 Å²	7	62.1 Å²	62.1	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.7	178.5	-59.6	-74.2	-75.5	167.3	0.1	110.1	V87 G88 T89 D111 Y131 D132 Q135	R68-V87 HydrophobicContact CB-CG1 4.01Å; R68-V87 VanDerWaalsContact CZ-CG1 3.44Å; R68-V87 VanDerWaalsContact NH2-CG1 3.34Å; R68-G88 CarbonylContact C-O 3.51Å; R68-G88 WeakPolarHBondContact CA-O 3.24Å; R68-T89 PolarHBondContact NH1-OG1 2.7Å; R68-D111 IonicContact CZ-OD1 2.65Å; R68-D111 IonicContact CZ-OD2 2.74Å; R68-D111 IonicContact NH1-OD1 3.13Å; R68-D111 PolarHBondContact NH1-OD1 2.8Å; R68-D111 IonicContact NH1-OD2 3.42Å; R68-D111 IonicContact NH2-OD1 3.98Å; R68-D111 PolarHBondContact NH2-OD1 3.39Å; R68-D111 IonicContact NH2-OD2 3.66Å; R68-D111 PolarHBondContact NH2-OD2 3.44Å; R68-Y131 HydrophobicContact CB-CD1 4.48Å; R68-Y131 PolarHBondContact O-N 2.81Å; R68-D132 HydrophobicContact CB-CB 4.07Å; R68-D132 HydrophobicContact CG-CB 4.43Å; R68-D132 PolarHBondContact N-O 2.92Å; R68-D132 PolarHBondContact O-N 3Å; R68-D132 VanDerWaalsContact O-N 3.17Å; R68-Q135 HydrophobicContact CG-CG 3.94Å
69	V	97.3	Very high	84	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.6	-168.8	-62.2	0	0	0	0	112.3	V87 G88 V90 V108 W110 L128 L129 L294	V69-V87 WeakPolarHBondContact O-CA 3.35Å; V69-G88 PolarHBondContact N-O 3.47Å; V69-G88 PolarHBondContact O-N 3.34Å; V69-V90 HydrophobicContact CG1-CG2 3.75Å; V69-V90 HydrophobicContact CG2-CG2 4.46Å; V69-V108 HydrophobicContact CG2-CG1 3.82Å; V69-V108 HydrophobicContact CG2-CG2 3.94Å; V69-W110 HydrophobicContact CG2-CH2 4.46Å; V69-L128 HydrophobicContact CG2-CD2 4.22Å; V69-L129 VanDerWaalsContact CA-O 3.24Å; V69-L129 WeakPolarHBondContact CA-O 3.4Å; V69-L129 WeakPolarHBondContact CB-O 3.07Å; V69-L294 HydrophobicContact CG1-CD1 4.29Å; V69-L294 HydrophobicContact CG1-CD2 3.96Å
70	V	97.8	Very high	87	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	165	170.1	-63.2	0	0	0	0	109.4	G72 V87 L128 L129 L208 Y286 L291	V70-G72 PolarHBondContact O-N 3.37Å; V70-V87 HydrophobicContact CG1-CG2 4.28Å; V70-L128 WeakPolarHBondContact O-CA 3.2Å; V70-L129 HydrophobicContact CG2-CB 3.98Å; V70-L129 PolarHBondContact N-O 3.42Å; V70-L129 PolarHBondContact O-N 3.36Å; V70-L208 HydrophobicContact CG1-CD1 3.95Å; V70-Y286 HydrophobicContact CG2-CE2 3.96Å; V70-L291 HydrophobicContact CG2-CD1 3.84Å
71	R	97.4	Very high	89.9	Confident	31 Å²	31	47.2 Å²	47.2	12%	0.117	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	138.1	175	63.6	165.6	73.9	178.8	-0.7	112.1	W75 G78 N79 D81 E84	R71-W75 HydrophobicContact CB-CB 4.24Å; R71-W75 HydrophobicContact CB-CD2 3.59Å; R71-W75 HydrophobicContact CB-CE3 3.61Å; R71-W75 HydrophobicContact CB-CG 3.9Å; R71-W75 HydrophobicContact CB-CZ3 4.14Å; R71-G78 PolarHBondContact NH2-O 2.85Å; R71-N79 PolarHBondContact NH2-OD1 2.8Å; R71-D81 WeakPolarHBondContact CB-OD2 3.43Å; R71-D81 IonicContact CZ-OD1 3.86Å; R71-D81 IonicContact CZ-OD2 2.84Å; R71-D81 IonicContact NE-OD1 2.59Å; R71-D81 PolarHBondContact NE-OD1 2.65Å; R71-D81 IonicContact NE-OD2 2.76Å; R71-D81 PolarHBondContact NE-OD2 3.26Å; R71-D81 IonicContact NH2-OD1 2.72Å; R71-D81 PolarHBondContact NH2-OD1 3.43Å; R71-D81 IonicContact NH2-OD2 3.69Å; R71-D81 PolarHBondContact NH2-OD2 3.11Å; R71-E84 HydrophobicContact CG-CG 4.4Å
72	G	94.4	Very high	92.3	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.021	25%	0.252	C	S	.	.			trans	-95.9	-167.6	-179.1	0	0	0	0	0	114.6	V70 W75 D127	V70-G72 PolarHBondContact O-N 3.37Å; G72-W75 WeakPolarHBondContact O-CB 3.4Å; G72-D127 WeakPolarHBondContact CA-O 3.32Å; G72-D127 PolarHBondContact N-O 3.03Å
73	L	89.6	Confident	93.8	Very high	98 Å²	98	45.9 Å²	45.9	51%	0.513	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-33.7	-174.4	-63.4	172.7	0	0	0	112.4	W75 K288	L73-W75 PolarHBondContact O-N 3.49Å; L73-K288 HydrophobicContact CD2-CD 4.38Å
74	D	94.3	Very high	94.6	Very high	69 Å²	69	48.5 Å²	48.5	37%	0.369	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	11	-179.3	-58.7	-43.5	0	0	0	113.4	K76 R119 A125 Y126 D127	D74-K76 PolarHBondContact O-N 2.87Å; D74-R119 PolarHBondContact O-NH2 2.95Å; D74-A125 HydrophobicContact CB-CB 4.05Å; D74-A125 WeakPolarHBondContact OD2-CA 3.29Å; D74-Y126 PolarHBondContact N-O 3.17Å; D74-Y126 PolarHBondContact OD2-N 3.02Å; D74-D127 VanDerWaalsContact O-OD1 3.09Å
75	W	96.1	Very high	94.9	Very high	34 Å²	34	44.7 Å²	44.7	13%	0.129	23%	0.232	C	C	.	.			trans	-61	124.5	-177.3	-178.8	-88.7	0	0	0	111.7	R71 G72 L73 W77 G78 Q80 D81 W110 Y118 D127 L128	R71-W75 HydrophobicContact CB-CB 4.24Å; R71-W75 HydrophobicContact CB-CD2 3.59Å; R71-W75 HydrophobicContact CB-CE3 3.61Å; R71-W75 HydrophobicContact CB-CG 3.9Å; R71-W75 HydrophobicContact CB-CZ3 4.14Å; G72-W75 WeakPolarHBondContact O-CB 3.4Å; L73-W75 PolarHBondContact O-N 3.49Å; W75-W77 HydrophobicContact CD2-CB 4.34Å; W75-W77 AromaticContact CD2-CD1 3.99Å; W75-W77 AromaticContact CE3-CD1 3.82Å; W75-W77 HydrophobicContact CH2-CB 4.25Å; W75-W77 HydrophobicContact CZ2-CB 3.8Å; W75-G78 PolarHBondContact NE1-O 3.44Å; W75-Q80 HydrophobicContact CH2-CB 4.48Å; W75-Q80 HydrophobicContact CZ2-CB 4.26Å; W75-D81 HydrophobicContact CH2-CB 3.79Å; W75-D81 HydrophobicContact CZ2-CB 3.96Å; W75-D81 WeakPolarHBondContact CZ2-OD1 3.5Å; W75-W110 AromaticContact CH2-CZ2 3.77Å; W75-W110 HydrophobicContact CH2-CZ2 3.77Å; W75-W110 AromaticContact CZ3-CZ2 3.86Å; W75-W110 HydrophobicContact CZ3-CZ2 3.86Å; W75-Y118 HydrophobicContact CE3-CD1 4.35Å; W75-Y118 HydrophobicContact CE3-CE1 4.31Å; W75-Y118 HydrophobicContact CH2-CD1 4.12Å; W75-Y118 AromaticContact CH2-CE1 3.32Å; W75-Y118 HydrophobicContact CH2-CE1 3.32Å; W75-Y118 AromaticContact CH2-CZ 3.7Å; W75-Y118 HydrophobicContact CZ2-CE1 4.34Å; W75-Y118 AromaticContact CZ3-CD1 3.6Å; W75-Y118 HydrophobicContact CZ3-CD1 3.6Å; W75-Y118 AromaticContact CZ3-CE1 3.3Å; W75-Y118 HydrophobicContact CZ3-CE1 3.3Å; W75-Y118 HydrophobicContact CZ3-CG 4.42Å; W75-Y118 AromaticContact CZ3-CZ 3.94Å; W75-D127 HydrophobicContact CE3-CB 4.34Å; W75-L128 HydrophobicContact CZ3-CD2 4.22Å
76	K	95.5	Very high	95.1	Very high	128 Å²	128	42.3 Å²	42.3	56%	0.557	22%	0.217	S	C	*	.			trans	-130.9	14.9	179.2	65.7	-179.2	-177.3	-179	0	113.7	D74 G78	D74-K76 PolarHBondContact O-N 2.87Å; K76-G78 PolarHBondContact O-N 3.29Å
77	W	94.9	Very high	95.3	Very high	84 Å²	84	42.4 Å²	42.4	32%	0.318	22%	0.217	S	C	.	.	S	Bend	trans	-100.3	27.2	-166.7	-49.5	111.8	0	0	0	113.3	W75 N79 Q80 Y118 D127	W75-W77 HydrophobicContact CD2-CB 4.34Å; W75-W77 AromaticContact CD2-CD1 3.99Å; W75-W77 AromaticContact CE3-CD1 3.82Å; W75-W77 HydrophobicContact CH2-CB 4.25Å; W75-W77 HydrophobicContact CZ2-CB 3.8Å; W77-N79 PolarHBondContact O-N 3Å; W77-Q80 HydrophobicContact CB-CB 4.5Å; W77-Q80 HydrophobicContact CB-CG 4.44Å; W77-Q80 VanDerWaalsContact O-CG 3.28Å; W77-Q80 WeakPolarHBondContact O-CG 3.47Å; W77-Q80 PolarHBondContact O-N 3.44Å; W77-Y118 HydrophobicContact CB-CE1 4.27Å; W77-Y118 AromaticContact CD1-CD1 3.58Å; W77-Y118 AromaticContact CD1-CE1 3.71Å; W77-Y118 HydrophobicContact CG-CD1 4.28Å; W77-Y118 HydrophobicContact CG-CE1 4.04Å; W77-Y118 AromaticContact NE1-CD1 3.81Å; W77-D127 PolarHBondContact NE1-OD1 3.39Å; W77-D127 PolarHBondContact NE1-OD2 3.45Å
78	G	94.6	Very high	95.4	Very high	48 Å²	48	41.9 Å²	41.9	50%	0.495	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-129.3	-179	0	0	0	0	0	112	R71 W75 K76	R71-G78 PolarHBondContact NH2-O 2.85Å; W75-G78 PolarHBondContact NE1-O 3.44Å; K76-G78 PolarHBondContact O-N 3.29Å
79	N	95.3	Very high	95.5	Very high	115 Å²	115	41.5 Å²	41.5	62%	0.615	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	39.4	177.8	-67.2	-24	0	0	0	112.3	R71 W77 D81 D82	R71-N79 PolarHBondContact NH2-OD1 2.8Å; W77-N79 PolarHBondContact O-N 3Å; N79-D81 PolarHBondContact O-N 3.45Å; N79-D82 WeakPolarHBondContact O-CA 3.35Å; N79-D82 PolarHBondContact O-N 3.02Å
80	Q	94.8	Very high	95.4	Very high	73 Å²	73	41.5 Å²	41.5	34%	0.341	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.7	174.1	-77.6	-176.9	15.3	0	0	113.7	W75 W77 T114 Y118	W75-Q80 HydrophobicContact CH2-CB 4.48Å; W75-Q80 HydrophobicContact CZ2-CB 4.26Å; W77-Q80 HydrophobicContact CB-CB 4.5Å; W77-Q80 HydrophobicContact CB-CG 4.44Å; W77-Q80 VanDerWaalsContact O-CG 3.28Å; W77-Q80 WeakPolarHBondContact O-CG 3.47Å; W77-Q80 PolarHBondContact O-N 3.44Å; Q80-T114 WeakPolarHBondContact O-CG2 3.24Å; Q80-Y118 PolarHBondContact OE1-OH 2.96Å
81	D	94.8	Very high	95.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	5.8	171.8	64.6	-26.1	0	0	0	113.4	R71 W75 N79 G83 H86 W110	R71-D81 WeakPolarHBondContact CB-OD2 3.43Å; R71-D81 IonicContact CZ-OD1 3.86Å; R71-D81 IonicContact CZ-OD2 2.84Å; R71-D81 IonicContact NE-OD1 2.59Å; R71-D81 PolarHBondContact NE-OD1 2.65Å; R71-D81 IonicContact NE-OD2 2.76Å; R71-D81 PolarHBondContact NE-OD2 3.26Å; R71-D81 IonicContact NH2-OD1 2.72Å; R71-D81 PolarHBondContact NH2-OD1 3.43Å; R71-D81 IonicContact NH2-OD2 3.69Å; R71-D81 PolarHBondContact NH2-OD2 3.11Å; W75-D81 HydrophobicContact CH2-CB 3.79Å; W75-D81 HydrophobicContact CZ2-CB 3.96Å; W75-D81 WeakPolarHBondContact CZ2-OD1 3.5Å; N79-D81 PolarHBondContact O-N 3.45Å; D81-G83 VanDerWaalsContact C-N 3.32Å; D81-G83 PolarHBondContact OD1-N 3.26Å; D81-H86 WeakPolarHBondContact O-CB 3.41Å; D81-W110 HydrophobicContact CB-CD2 3.54Å; D81-W110 HydrophobicContact CB-CE3 3.66Å; D81-W110 HydrophobicContact CB-CG 4.27Å; D81-W110 HydrophobicContact CB-CH2 3.65Å; D81-W110 HydrophobicContact CB-CZ2 3.48Å; D81-W110 VanDerWaalsContact CB-CZ2 3.48Å; D81-W110 HydrophobicContact CB-CZ3 3.73Å
82	D	94.1	Very high	95.2	Very high	81 Å²	81	44.2 Å²	44.2	43%	0.433	23%	0.229	S	C	.	.	S	Bend	trans	74.5	9.3	-176.3	-144.1	30.6	0	0	0	116	N79 H86 Y277	N79-D82 WeakPolarHBondContact O-CA 3.35Å; N79-D82 PolarHBondContact O-N 3.02Å; D82-H86 VanDerWaalsContact C-ND1 3.3Å; D82-H86 PolarHBondContact O-CE1 2.99Å; D82-H86 PolarHBondContact O-ND1 3.4Å; D82-Y277 PolarHBondContact OD2-OH 3.39Å
83	G	94.4	Very high	95	Very high	11 Å²	11	46.5 Å²	46.5	11%	0.113	24%	0.24	C	C	.	.	S	Bend	trans	121.4	165.2	175.9	0	0	0	0	0	113.2	D81 G85 H86	D81-G83 VanDerWaalsContact C-N 3.32Å; D81-G83 PolarHBondContact OD1-N 3.26Å; G83-G85 PolarHBondContact O-N 3.36Å; G83-H86 PolarHBondContact N-ND1 3.02Å; G83-H86 PolarHBondContact O-N 3.43Å; G83-H86 PolarHBondContact O-ND1 3.32Å
84	E	95.6	Very high	94.9	Very high	88 Å²	88	42.1 Å²	42.1	41%	0.411	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	134.3	-178.9	-173.1	169	-126.1	0	0	111.9	R71 I206 K288	R71-E84 HydrophobicContact CG-CG 4.4Å; E84-I206 HydrophobicContact CG-CD1 3.94Å; E84-I206 HydrophobicContact CG-CG2 4Å; E84-K288 IonicContact OE1-NZ 3.45Å; E84-K288 PolarHBondContact OE1-NZ 3.09Å
85	G	94.8	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	-7.3	-179.2	0	0	0	0	0	115.4	G83 I207 L208 K209 Y286	G83-G85 PolarHBondContact O-N 3.36Å; G85-I207 WeakPolarHBondContact CA-O 3.2Å; G85-L208 WeakPolarHBondContact O-CA 3.28Å; G85-K209 PolarHBondContact O-N 3.33Å; G85-Y286 WeakPolarHBondContact CA-OH 3.2Å
86	H	97.5	Very high	93.7	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.042	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-73.2	140.3	175.6	-71.1	93.3	0	0	0	112.6	D81 D82 G83 W110 K209 Y277 D280	D81-H86 WeakPolarHBondContact O-CB 3.41Å; D82-H86 VanDerWaalsContact C-ND1 3.3Å; D82-H86 PolarHBondContact O-CE1 2.99Å; D82-H86 PolarHBondContact O-ND1 3.4Å; G83-H86 PolarHBondContact N-ND1 3.02Å; G83-H86 PolarHBondContact O-N 3.43Å; G83-H86 PolarHBondContact O-ND1 3.32Å; H86-W110 WeakPolarHBondContact O-CZ3 3.11Å; H86-K209 CarbonylContact C-O 3.58Å; H86-K209 VanDerWaalsContact CA-O 3.25Å; H86-K209 WeakPolarHBondContact CA-O 3.44Å; H86-Y277 PolarHBondContact CD2-OH 3.48Å; H86-D280 IonicContact NE2-OD2 2.74Å
87	V	96.8	Very high	92.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	28%	0.28	C	S	.	.			trans	-96.1	142	-177.8	-167.5	0	0	0	0	111.7	R68 V69 V70 W110 D111 L208 K209 F212	R68-V87 HydrophobicContact CB-CG1 4.01Å; R68-V87 VanDerWaalsContact CZ-CG1 3.44Å; R68-V87 VanDerWaalsContact NH2-CG1 3.34Å; V69-V87 WeakPolarHBondContact O-CA 3.35Å; V70-V87 HydrophobicContact CG1-CG2 4.28Å; V87-W110 VanDerWaalsContact C-CE3 3.43Å; V87-D111 WeakPolarHBondContact O-CB 3.35Å; V87-D111 PolarHBondContact O-N 3.01Å; V87-D111 VanDerWaalsContact O-N 3.17Å; V87-L208 HydrophobicContact CG2-CD1 3.46Å; V87-L208 VanDerWaalsContact CG2-CD1 3.46Å; V87-L208 HydrophobicContact CG2-CD2 4.28Å; V87-L208 HydrophobicContact CG2-CG 3.73Å; V87-K209 WeakPolarHBondContact CG2-O 3.36Å; V87-K209 PolarHBondContact N-O 3Å; V87-F212 HydrophobicContact CG2-CE2 4.32Å; V87-F212 HydrophobicContact CG2-CZ 3.99Å
88	G	97.1	Very high	92	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	169.6	170	0	0	0	0	0	112.2	R68 V69 Q109 W110	R68-G88 CarbonylContact C-O 3.51Å; R68-G88 WeakPolarHBondContact CA-O 3.24Å; V69-G88 PolarHBondContact N-O 3.47Å; V69-G88 PolarHBondContact O-N 3.34Å; G88-Q109 WeakPolarHBondContact CA-O 3.48Å; G88-W110 VanDerWaalsContact N-CE3 3.26Å; G88-W110 VanDerWaalsContact N-CZ3 3.31Å
89	T	97.7	Very high	91	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.5	179.4	-54.3	0	0	0	0	109.6	R68 V91 V108 Q109 V273	R68-T89 PolarHBondContact NH1-OG1 2.7Å; T89-V91 HydrophobicContact CG2-CG1 4.28Å; T89-V91 PolarHBondContact O-N 2.89Å; T89-V108 CarbonylContact O-C 3.5Å; T89-V108 VanDerWaalsContact O-CA 3.31Å; T89-V108 WeakPolarHBondContact O-CA 3.42Å; T89-Q109 PolarHBondContact N-O 2.73Å; T89-Q109 PolarHBondContact O-N 2.86Å; T89-V273 HydrophobicContact CG2-CG2 3.85Å
90	V	96.8	Very high	90	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	118.6	169.6	179	0	0	0	0	108.8	V65 G66 M67 V69 I93 V106 V108 L294	V65-V90 WeakPolarHBondContact CG1-O 3.41Å; G66-V90 PolarHBondContact N-O 3.23Å; M67-V90 HydrophobicContact CB-CB 4.48Å; M67-V90 HydrophobicContact CB-CG2 4.22Å; M67-V90 PolarHBondContact O-N 3.08Å; V69-V90 HydrophobicContact CG1-CG2 3.75Å; V69-V90 HydrophobicContact CG2-CG2 4.46Å; V90-I93 HydrophobicContact CG1-CG1 4.2Å; V90-V106 HydrophobicContact CG1-CB 4.26Å; V90-V106 HydrophobicContact CG1-CG1 4.31Å; V90-V108 HydrophobicContact CG2-CG2 4.46Å; V90-L294 HydrophobicContact CG2-CD2 3.84Å
91	V	95.8	Very high	89.4	Confident	25 Å²	25	50.9 Å²	50.9	15%	0.152	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-15.7	-176.7	-59.7	0	0	0	0	113.4	V65 T89 V107 Q109 G271 V273	V65-V91 VanDerWaalsContact CG1-CA 3.47Å; V65-V91 WeakPolarHBondContact CG1-O 3.37Å; T89-V91 HydrophobicContact CG2-CG1 4.28Å; T89-V91 PolarHBondContact O-N 2.89Å; V91-V107 HydrophobicContact CG2-CB 4.1Å; V91-V107 HydrophobicContact CG2-CG1 3.84Å; V91-V107 WeakPolarHBondContact CG2-O 3.22Å; V91-V107 PolarHBondContact N-O 3.01Å; V91-Q109 HydrophobicContact CB-CB 4.46Å; V91-Q109 HydrophobicContact CG1-CB 3.44Å; V91-Q109 VanDerWaalsContact CG1-CB 3.44Å; V91-Q109 HydrophobicContact CG1-CG 4.46Å; V91-Q109 HydrophobicContact CG2-CB 4.15Å; V91-G271 WeakPolarHBondContact CG1-O 3.29Å; V91-V273 HydrophobicContact CG1-CG2 4.22Å
92	E	93.7	Very high	89	Confident	63 Å²	63	53.1 Å²	53.1	29%	0.294	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143.4	176.1	-157.8	-177.6	140.6	0	0	110.2	T101 V106 V107 R115	E92-T101 WeakPolarHBondContact OE1-CB 3.45Å; E92-T101 WeakPolarHBondContact OE1-CG2 3.21Å; E92-T101 PolarHBondContact OE1-OG1 2.57Å; E92-V106 CarbonylContact O-C 3.55Å; E92-V106 WeakPolarHBondContact O-CA 3.36Å; E92-V107 HydrophobicContact CB-CB 3.72Å; E92-V107 HydrophobicContact CB-CG2 3.83Å; E92-V107 PolarHBondContact N-O 2.88Å; E92-V107 PolarHBondContact O-N 2.7Å; E92-R115 IonicContact OE2-NH2 3.16Å; E92-R115 PolarHBondContact OE2-NH2 3.27Å; E92-R115 VanDerWaalsContact OE2-NH2 3.16Å
93	I	91.6	Very high	88.5	Confident	50 Å²	50	52.2 Å²	52.2	26%	0.256	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.2	176.3	-59.9	170.8	0	0	0	108.1	M63 V65 V90 V106	M63-I93 HydrophobicContact CB-CD1 4.29Å; M63-I93 HydrophobicContact CG-CD1 3.89Å; M63-I93 HydrophobicContact CG-CG1 4.29Å; M63-I93 WeakPolarHBondContact O-CD1 3.19Å; M63-I93 HydrophobicContact SD-CD1 4.42Å; M63-I93 HydrophobicContact SD-CG1 4.25Å; M63-I93 HydrophobicContact SD-CG2 4.15Å; V65-I93 HydrophobicContact CG2-CD1 4.41Å; V90-I93 HydrophobicContact CG1-CG1 4.2Å; I93-V106 HydrophobicContact CG1-CG1 4.42Å
94	G	86.6	Confident	88.2	Confident	6 Å²	6	57.3 Å²	57.3	6%	0.062	31%	0.311	C	S	.	.			trans	-65	151.1	-178	0	0	0	0	0	113.1	T101 P102 T105	G94-T101 CarbonylContact C-O 3.6Å; G94-T101 WeakPolarHBondContact CA-O 3.45Å; G94-P102 WeakPolarHBondContact CA-O 3.3Å; G94-T105 WeakPolarHBondContact CA-O 2.94Å; G94-T105 PolarHBondContact N-O 2.85Å
95	R	86.2	Confident	88	Confident	190 Å²	190	53.5 Å²	53.5	72%	0.717	29%	0.294	S	S	*	.			trans	-133	148.5	-175.8	-60.2	-177.1	-172.5	-176.8	2.1	110.7	G97 S98 T101 D103	R95-G97 PolarHBondContact O-N 3.3Å; R95-S98 WeakPolarHBondContact O-CB 3.16Å; R95-S98 PolarHBondContact O-N 3.24Å; R95-S98 VanDerWaalsContact O-N 3.1Å; R95-T101 PolarHBondContact N-O 3.2Å; R95-D103 PolarHBondContact O-N 3.42Å
96	Q	79	Confident	88	Confident	174 Å²	174	53.5 Å²	53.5	81%	0.813	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	124.4	175.7	-162.3	174	15.7	0	0	110.1	D103	Q96-D103 HydrophobicContact CB-CB 4.31Å
97	G	74.7	Confident	87.9	Confident	79 Å²	79	53.5 Å²	53.5	81%	0.814	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-4.5	-177.8	0	0	0	0	0	115.9	R95	R95-G97 PolarHBondContact O-N 3.3Å
98	S	79.9	Confident	88	Confident	36 Å²	36	53.5 Å²	53.5	25%	0.252	29%	0.294	S	S	.	.			trans	-75	130.8	171.3	178	0	0	0	0	110.8	R95 T100 T101	R95-S98 WeakPolarHBondContact O-CB 3.16Å; R95-S98 PolarHBondContact O-N 3.24Å; R95-S98 VanDerWaalsContact O-N 3.1Å; S98-T100 PolarHBondContact OG-OG1 3.4Å; S98-T101 WeakPolarHBondContact CB-O 3.45Å; S98-T101 PolarHBondContact OG-N 2.7Å; S98-T101 PolarHBondContact OG-O 3.13Å; S98-T101 PolarHBondContact OG-OG1 3.43Å
99	T	74.3	Confident	88	Confident	141 Å²	141	53.7 Å²	53.7	87%	0.865	30%	0.295	S	S	*	.	S	Bend	trans	-81.1	-24.2	177	51.1	0	0	0	0	112.8
100	T	75	Confident	88	Confident	105 Å²	105	53.7 Å²	53.7	64%	0.644	30%	0.296	S	S	*	.	S	Bend	trans	-98	-32.9	-177.8	51.5	0	0	0	0	112.8	S98	S98-T100 PolarHBondContact OG-OG1 3.4Å
101	T	81.6	Confident	87.9	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.055	30%	0.296	C	S	.	.	S	Bend	trans	-136.5	75.9	-176.5	45.3	0	0	0	0	110.5	E92 G94 R95 S98 V107	E92-T101 WeakPolarHBondContact OE1-CB 3.45Å; E92-T101 WeakPolarHBondContact OE1-CG2 3.21Å; E92-T101 PolarHBondContact OE1-OG1 2.57Å; G94-T101 CarbonylContact C-O 3.6Å; G94-T101 WeakPolarHBondContact CA-O 3.45Å; R95-T101 PolarHBondContact N-O 3.2Å; S98-T101 WeakPolarHBondContact CB-O 3.45Å; S98-T101 PolarHBondContact OG-N 2.7Å; S98-T101 PolarHBondContact OG-O 3.13Å; S98-T101 PolarHBondContact OG-OG1 3.43Å; T101-V107 HydrophobicContact CG2-CG2 3.36Å
102	P	85	Confident	87.9	Confident	47 Å²	47	53.1 Å²	53.1	31%	0.305	29%	0.293	S	S	.	.			trans	-62.3	162.7	-175.6	-22.4	34.6	0	0	0	113.6	G94 T105	G94-P102 WeakPolarHBondContact CA-O 3.3Å; P102-T105 WeakPolarHBondContact O-CB 3.39Å; P102-T105 PolarHBondContact O-N 2.76Å; P102-T105 PolarHBondContact O-OG1 2.86Å
103	D	84.3	Confident	87.8	Confident	63 Å²	63	51.3 Å²	51.3	34%	0.337	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	148.6	174.9	-168.4	35.9	0	0	0	112.5	R95 Q96 T105	R95-D103 PolarHBondContact O-N 3.42Å; Q96-D103 HydrophobicContact CB-CB 4.31Å; D103-T105 PolarHBondContact O-N 2.94Å
104	K	88.4	Confident	87.9	Confident	118 Å²	118	51.7 Å²	51.7	51%	0.513	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	28.8	-173	-50.7	-174.2	178.9	-175.1	0	115	T120 G121 Y122	K104-T120 VanDerWaalsContact C-OG1 3.27Å; K104-T120 CarbonylContact O-C 3.56Å; K104-T120 PolarHBondContact O-N 2.82Å; K104-T120 PolarHBondContact O-OG1 3.41Å; K104-G121 WeakPolarHBondContact CD-O 3.22Å; K104-Y122 WeakPolarHBondContact O-CB 3.39Å; K104-Y122 PolarHBondContact O-N 3.39Å
105	T	91.9	Very high	88.3	Confident	8 Å²	8	58.1 Å²	58.1	5%	0.049	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.7	169	72.3	0	0	0	0	110.4	G94 P102 D103 Y118 Y122	G94-T105 WeakPolarHBondContact CA-O 2.94Å; G94-T105 PolarHBondContact N-O 2.85Å; P102-T105 WeakPolarHBondContact O-CB 3.39Å; P102-T105 PolarHBondContact O-N 2.76Å; P102-T105 PolarHBondContact O-OG1 2.86Å; D103-T105 PolarHBondContact O-N 2.94Å; T105-Y118 CarbonylContact C-O 3.47Å; T105-Y118 WeakPolarHBondContact CA-O 3.28Å; T105-Y118 VanDerWaalsContact CB-O 3.31Å; T105-Y118 WeakPolarHBondContact CB-O 3.33Å; T105-Y122 HydrophobicContact CG2-CG 4.35Å
106	V	94.7	Very high	88.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.7	173.8	-65.1	0	0	0	0	110.3	M63 V90 E92 I93 V108 N117 Y118 T120 L128 L294	M63-V106 HydrophobicContact CE-CG1 4.3Å; M63-V106 HydrophobicContact SD-CG1 3.2Å; M63-V106 WeakPolarHBondContact SD-CG1 3.45Å; V90-V106 HydrophobicContact CG1-CB 4.26Å; V90-V106 HydrophobicContact CG1-CG1 4.31Å; E92-V106 CarbonylContact O-C 3.55Å; E92-V106 WeakPolarHBondContact O-CA 3.36Å; I93-V106 HydrophobicContact CG1-CG1 4.42Å; V106-V108 HydrophobicContact CG2-CG2 4.09Å; V106-N117 CarbonylContact O-C 3.53Å; V106-N117 WeakPolarHBondContact O-CA 3.16Å; V106-Y118 PolarHBondContact N-O 3.27Å; V106-Y118 PolarHBondContact O-N 2.73Å; V106-T120 HydrophobicContact CB-CG2 4.42Å; V106-T120 HydrophobicContact CG1-CG2 3.95Å; V106-T120 HydrophobicContact CG2-CG2 3.66Å; V106-L128 HydrophobicContact CG2-CD1 3.46Å; V106-L128 VanDerWaalsContact CG2-CD1 3.46Å; V106-L294 HydrophobicContact CG1-CD2 4.35Å; V106-L294 HydrophobicContact CG2-CD2 3.96Å
107	V	95.8	Very high	89.4	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.9	166.2	-174.8	0	0	0	0	108.6	V91 E92 T101 R115 T116 N117	V91-V107 HydrophobicContact CG2-CB 4.1Å; V91-V107 HydrophobicContact CG2-CG1 3.84Å; V91-V107 WeakPolarHBondContact CG2-O 3.22Å; V91-V107 PolarHBondContact N-O 3.01Å; E92-V107 HydrophobicContact CB-CB 3.72Å; E92-V107 HydrophobicContact CB-CG2 3.83Å; E92-V107 PolarHBondContact N-O 2.88Å; E92-V107 PolarHBondContact O-N 2.7Å; T101-V107 HydrophobicContact CG2-CG2 3.36Å; V107-R115 HydrophobicContact CG1-CG 3.72Å; V107-T116 WeakPolarHBondContact CA-O 3.28Å; V107-N117 HydrophobicContact CG2-CB 4.27Å
108	V	97.3	Very high	90.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.8	175.8	177.8	0	0	0	0	109.3	V69 T89 V90 V106 W110 R115 T116 Y118 L128	V69-V108 HydrophobicContact CG2-CG1 3.82Å; V69-V108 HydrophobicContact CG2-CG2 3.94Å; T89-V108 CarbonylContact O-C 3.5Å; T89-V108 VanDerWaalsContact O-CA 3.31Å; T89-V108 WeakPolarHBondContact O-CA 3.42Å; V90-V108 HydrophobicContact CG2-CG2 4.46Å; V106-V108 HydrophobicContact CG2-CG2 4.09Å; V108-W110 HydrophobicContact CG1-CD2 3.95Å; V108-W110 HydrophobicContact CG1-CE3 4.34Å; V108-W110 HydrophobicContact CG1-CG 4.38Å; V108-W110 HydrophobicContact CG1-CH2 4.38Å; V108-W110 HydrophobicContact CG1-CZ2 4.02Å; V108-R115 WeakPolarHBondContact O-CA 3.44Å; V108-T116 PolarHBondContact N-O 3.39Å; V108-T116 PolarHBondContact O-N 3.33Å; V108-T116 VanDerWaalsContact O-N 3.15Å; V108-Y118 HydrophobicContact CB-CD2 3.87Å; V108-Y118 HydrophobicContact CB-CE2 3.92Å; V108-Y118 HydrophobicContact CG2-CD2 3.87Å; V108-Y118 HydrophobicContact CG2-CE2 4.4Å; V108-L128 HydrophobicContact CG2-CD1 3.5Å; V108-L128 VanDerWaalsContact CG2-CD1 3.5Å; V108-L128 HydrophobicContact CG2-CD2 4.42Å
109	Q	97.4	Very high	91.1	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	104.8	166.2	-176.8	60.8	67.6	0	0	108	G88 T89 V91 G113 T114 R115 P221 V273	G88-Q109 WeakPolarHBondContact CA-O 3.48Å; T89-Q109 PolarHBondContact N-O 2.73Å; T89-Q109 PolarHBondContact O-N 2.86Å; V91-Q109 HydrophobicContact CB-CB 4.46Å; V91-Q109 HydrophobicContact CG1-CB 3.44Å; V91-Q109 VanDerWaalsContact CG1-CB 3.44Å; V91-Q109 HydrophobicContact CG1-CG 4.46Å; V91-Q109 HydrophobicContact CG2-CB 4.15Å; Q109-G113 PolarHBondContact NE2-O 3.49Å; Q109-T114 PolarHBondContact NE2-O 2.77Å; Q109-R115 VanDerWaalsContact OE1-CB 3.29Å; Q109-P221 VanDerWaalsContact CD-CG 3.44Å; Q109-P221 HydrophobicContact CG-CG 3.98Å; Q109-V273 HydrophobicContact CB-CG2 4Å; Q109-V273 HydrophobicContact CG-CB 3.78Å; Q109-V273 HydrophobicContact CG-CG1 4.1Å; Q109-V273 HydrophobicContact CG-CG2 3.8Å
110	W	97.3	Very high	91.9	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	149.3	175.7	-65	108.4	0	0	0	110.5	V69 W75 D81 H86 V87 G88 V108 S112 G113 T114 Y118 L128	V69-W110 HydrophobicContact CG2-CH2 4.46Å; W75-W110 AromaticContact CH2-CZ2 3.77Å; W75-W110 HydrophobicContact CH2-CZ2 3.77Å; W75-W110 AromaticContact CZ3-CZ2 3.86Å; W75-W110 HydrophobicContact CZ3-CZ2 3.86Å; D81-W110 HydrophobicContact CB-CD2 3.54Å; D81-W110 HydrophobicContact CB-CE3 3.66Å; D81-W110 HydrophobicContact CB-CG 4.27Å; D81-W110 HydrophobicContact CB-CH2 3.65Å; D81-W110 HydrophobicContact CB-CZ2 3.48Å; D81-W110 VanDerWaalsContact CB-CZ2 3.48Å; D81-W110 HydrophobicContact CB-CZ3 3.73Å; H86-W110 WeakPolarHBondContact O-CZ3 3.11Å; V87-W110 VanDerWaalsContact C-CE3 3.43Å; G88-W110 VanDerWaalsContact N-CE3 3.26Å; G88-W110 VanDerWaalsContact N-CZ3 3.31Å; V108-W110 HydrophobicContact CG1-CD2 3.95Å; V108-W110 HydrophobicContact CG1-CE3 4.34Å; V108-W110 HydrophobicContact CG1-CG 4.38Å; V108-W110 HydrophobicContact CG1-CH2 4.38Å; V108-W110 HydrophobicContact CG1-CZ2 4.02Å; W110-S112 PolarHBondContact O-N 2.79Å; W110-S112 VanDerWaalsContact O-N 3.15Å; W110-G113 WeakPolarHBondContact O-CA 3.48Å; W110-G113 PolarHBondContact O-N 2.85Å; W110-T114 PolarHBondContact N-O 2.9Å; W110-Y118 HydrophobicContact CZ2-CE2 4.13Å; W110-Y118 AromaticContact NE1-CE2 3.46Å; W110-Y118 AromaticContact NE1-CZ 3.44Å; W110-Y118 PolarHBondContact NE1-OH 3.32Å; W110-L128 HydrophobicContact CH2-CD2 3.9Å; W110-L128 HydrophobicContact CZ2-CD2 3.92Å
111	D	96.4	Very high	92.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.5	178.2	-81.8	10.2	0	0	0	112.9	R68 V87 G113 I211 K276 Y277	R68-D111 IonicContact CZ-OD1 2.65Å; R68-D111 IonicContact CZ-OD2 2.74Å; R68-D111 IonicContact NH1-OD1 3.13Å; R68-D111 PolarHBondContact NH1-OD1 2.8Å; R68-D111 IonicContact NH1-OD2 3.42Å; R68-D111 IonicContact NH2-OD1 3.98Å; R68-D111 PolarHBondContact NH2-OD1 3.39Å; R68-D111 IonicContact NH2-OD2 3.66Å; R68-D111 PolarHBondContact NH2-OD2 3.44Å; V87-D111 WeakPolarHBondContact O-CB 3.35Å; V87-D111 PolarHBondContact O-N 3.01Å; V87-D111 VanDerWaalsContact O-N 3.17Å; D111-G113 PolarHBondContact O-N 2.89Å; D111-I211 HydrophobicContact CB-CD1 4.1Å; D111-I211 HydrophobicContact CB-CG1 3.92Å; D111-I211 PolarHBondContact OD2-N 3.15Å; D111-K276 WeakPolarHBondContact O-CA 3.21Å; D111-Y277 VanDerWaalsContact C-CE1 3.44Å; D111-Y277 HydrophobicContact CB-CD1 3.73Å; D111-Y277 HydrophobicContact CB-CE1 3.69Å; D111-Y277 VanDerWaalsContact O-CD1 3.29Å; D111-Y277 WeakPolarHBondContact O-CD1 3.43Å; D111-Y277 PolarHBondContact O-N 3.2Å
112	S	94.4	Very high	92.7	Very high	12 Å²	12	36.1 Å²	36.1	8%	0.084	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-9.4	170.6	63.9	0	0	0	0	113.5	W110 K276 Y277	W110-S112 PolarHBondContact O-N 2.79Å; W110-S112 VanDerWaalsContact O-N 3.15Å; S112-K276 WeakPolarHBondContact O-CD 3.5Å; S112-K276 WeakPolarHBondContact O-CE 3.38Å; S112-K276 PolarHBondContact O-NZ 3.23Å; S112-Y277 WeakPolarHBondContact CB-OH 3.35Å; S112-Y277 VanDerWaalsContact N-CE1 3.35Å
113	G	92	Very high	92.8	Very high	25 Å²	25	40.7 Å²	40.7	26%	0.258	20%	0.2	S	C	.	.	S	Bend	trans	95	-8.2	-177	0	0	0	0	0	115.7	Q109 W110 D111	Q109-G113 PolarHBondContact NE2-O 3.49Å; W110-G113 WeakPolarHBondContact O-CA 3.48Å; W110-G113 PolarHBondContact O-N 2.85Å; D111-G113 PolarHBondContact O-N 2.89Å
114	T	93.9	Very high	92.8	Very high	57 Å²	57	41.6 Å²	41.6	35%	0.35	22%	0.216	S	C	.	.			trans	-68.7	132.8	176	-55.6	0	0	0	0	111.1	Q80 Q109 W110	Q80-T114 WeakPolarHBondContact O-CG2 3.24Å; Q109-T114 PolarHBondContact NE2-O 2.77Å; W110-T114 PolarHBondContact N-O 2.9Å
115	R	95.1	Very high	92.9	Very high	142 Å²	142	36.4 Å²	36.4	54%	0.536	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	114	178.6	-168.3	179.3	178.7	-106.9	-5.2	110.9	E92 V107 V108 Q109	E92-R115 IonicContact OE2-NH2 3.16Å; E92-R115 PolarHBondContact OE2-NH2 3.27Å; E92-R115 VanDerWaalsContact OE2-NH2 3.16Å; V107-R115 HydrophobicContact CG1-CG 3.72Å; V108-R115 WeakPolarHBondContact O-CA 3.44Å; Q109-R115 VanDerWaalsContact OE1-CB 3.29Å
116	T	94.4	Very high	93	Very high	37 Å²	37	38.2 Å²	38.2	23%	0.227	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.9	-176.5	-44	0	0	0	0	111.6	V107 V108 Y118	V107-T116 WeakPolarHBondContact CA-O 3.28Å; V108-T116 PolarHBondContact N-O 3.39Å; V108-T116 PolarHBondContact O-N 3.33Å; V108-T116 VanDerWaalsContact O-N 3.15Å; T116-Y118 WeakPolarHBondContact O-CD2 3.43Å; T116-Y118 WeakPolarHBondContact O-CE2 3.47Å
117	N	93.7	Very high	93.1	Very high	81 Å²	81	38.2 Å²	38.2	43%	0.433	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	144.5	174.8	65.5	-54.9	0	0	0	113.2	V106 V107	V106-N117 CarbonylContact O-C 3.53Å; V106-N117 WeakPolarHBondContact O-CA 3.16Å; V107-N117 HydrophobicContact CG2-CB 4.27Å
118	Y	95.7	Very high	93.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.3	-176.7	-62.9	-76.9	0	0	0	111.7	W75 W77 Q80 T105 V106 V108 W110 T116 D127 L128	W75-Y118 HydrophobicContact CE3-CD1 4.35Å; W75-Y118 HydrophobicContact CE3-CE1 4.31Å; W75-Y118 HydrophobicContact CH2-CD1 4.12Å; W75-Y118 AromaticContact CH2-CE1 3.32Å; W75-Y118 HydrophobicContact CH2-CE1 3.32Å; W75-Y118 AromaticContact CH2-CZ 3.7Å; W75-Y118 HydrophobicContact CZ2-CE1 4.34Å; W75-Y118 AromaticContact CZ3-CD1 3.6Å; W75-Y118 HydrophobicContact CZ3-CD1 3.6Å; W75-Y118 AromaticContact CZ3-CE1 3.3Å; W75-Y118 HydrophobicContact CZ3-CE1 3.3Å; W75-Y118 HydrophobicContact CZ3-CG 4.42Å; W75-Y118 AromaticContact CZ3-CZ 3.94Å; W77-Y118 HydrophobicContact CB-CE1 4.27Å; W77-Y118 AromaticContact CD1-CD1 3.58Å; W77-Y118 AromaticContact CD1-CE1 3.71Å; W77-Y118 HydrophobicContact CG-CD1 4.28Å; W77-Y118 HydrophobicContact CG-CE1 4.04Å; W77-Y118 AromaticContact NE1-CD1 3.81Å; Q80-Y118 PolarHBondContact OE1-OH 2.96Å; T105-Y118 CarbonylContact C-O 3.47Å; T105-Y118 WeakPolarHBondContact CA-O 3.28Å; T105-Y118 VanDerWaalsContact CB-O 3.31Å; T105-Y118 WeakPolarHBondContact CB-O 3.33Å; V106-Y118 PolarHBondContact N-O 3.27Å; V106-Y118 PolarHBondContact O-N 2.73Å; V108-Y118 HydrophobicContact CB-CD2 3.87Å; V108-Y118 HydrophobicContact CB-CE2 3.92Å; V108-Y118 HydrophobicContact CG2-CD2 3.87Å; V108-Y118 HydrophobicContact CG2-CE2 4.4Å; W110-Y118 HydrophobicContact CZ2-CE2 4.13Å; W110-Y118 AromaticContact NE1-CE2 3.46Å; W110-Y118 AromaticContact NE1-CZ 3.44Å; W110-Y118 PolarHBondContact NE1-OH 3.32Å; T116-Y118 WeakPolarHBondContact O-CD2 3.43Å; T116-Y118 WeakPolarHBondContact O-CE2 3.47Å; Y118-D127 HydrophobicContact CD1-CB 4.37Å; Y118-L128 HydrophobicContact CD2-CD1 4.33Å; Y118-L128 HydrophobicContact CG-CD1 4.26Å; Y118-L128 HydrophobicContact CG-CD2 4.4Å; Y118-L128 HydrophobicContact CG-CG 4.42Å
119	R	94.3	Very high	93.1	Very high	29 Å²	29	38 Å²	38	11%	0.109	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.8	-177.7	-55.6	170.7	-69.1	166.3	6.1	111	D74 Y122 A125 D127	D74-R119 PolarHBondContact O-NH2 2.95Å; R119-Y122 HydrophobicContact CG-CD1 4.38Å; R119-A125 CarbonylContact C-O 3.53Å; R119-A125 WeakPolarHBondContact CB-O 3.28Å; R119-D127 VanDerWaalsContact CB-OD2 3.22Å; R119-D127 WeakPolarHBondContact CB-OD2 3.4Å; R119-D127 VanDerWaalsContact CG-OD2 3.32Å; R119-D127 WeakPolarHBondContact CG-OD2 3.44Å; R119-D127 IonicContact CZ-OD1 3.33Å; R119-D127 IonicContact CZ-OD2 3.49Å; R119-D127 PolarHBondContact N-OD2 2.66Å; R119-D127 IonicContact NE-OD1 3.14Å; R119-D127 PolarHBondContact NE-OD1 3.4Å; R119-D127 IonicContact NE-OD2 3.67Å; R119-D127 PolarHBondContact NE-OD2 2.97Å; R119-D127 IonicContact NH2-OD1 3.3Å; R119-D127 PolarHBondContact NH2-OD1 3.5Å; R119-D127 IonicContact NH2-OD2 2.89Å; R119-D127 PolarHBondContact O-N 3.05Å
120	T	91.1	Very high	93	Very high	9 Å²	9	38.2 Å²	38.2	6%	0.055	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-129.7	55.6	174.4	56.4	0	0	0	0	108.9	M63 K104 V106 L128 L294	M63-T120 HydrophobicContact CE-CG2 4.11Å; K104-T120 VanDerWaalsContact C-OG1 3.27Å; K104-T120 CarbonylContact O-C 3.56Å; K104-T120 PolarHBondContact O-N 2.82Å; K104-T120 PolarHBondContact O-OG1 3.41Å; V106-T120 HydrophobicContact CB-CG2 4.42Å; V106-T120 HydrophobicContact CG1-CG2 3.95Å; V106-T120 HydrophobicContact CG2-CG2 3.66Å; T120-L128 HydrophobicContact CG2-CD1 4.45Å; T120-L294 VanDerWaalsContact CB-O 3.24Å; T120-L294 WeakPolarHBondContact CB-O 3.36Å; T120-L294 HydrophobicContact CG2-CB 4.27Å; T120-L294 HydrophobicContact CG2-CD2 3.72Å; T120-L294 HydrophobicContact CG2-CG 4.04Å; T120-L294 WeakPolarHBondContact CG2-O 3.47Å
121	G	87.2	Confident	92.9	Very high	6 Å²	6	39.4 Å²	39.4	6%	0.062	21%	0.205	C	C	.	.	S	Bend	trans	108.3	-3	-175.2	0	0	0	0	0	114.8	K104 Q123 A124 A125	K104-G121 WeakPolarHBondContact CD-O 3.22Å; G121-Q123 PolarHBondContact O-N 3.3Å; G121-A124 PolarHBondContact O-N 3.48Å; G121-A124 VanDerWaalsContact O-N 3.13Å; G121-A125 WeakPolarHBondContact CA-O 3.32Å; G121-A125 PolarHBondContact N-O 3.49Å
122	Y	86.1	Confident	92.8	Very high	108 Å²	108	39.7 Å²	39.7	42%	0.424	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-67.1	126.5	170.8	-174.3	-94.3	0	0	0	109.9	K104 T105 R119 A124 A125	K104-Y122 WeakPolarHBondContact O-CB 3.39Å; K104-Y122 PolarHBondContact O-N 3.39Å; T105-Y122 HydrophobicContact CG2-CG 4.35Å; R119-Y122 HydrophobicContact CG-CD1 4.38Å; Y122-A124 PolarHBondContact O-N 2.94Å; Y122-A125 PolarHBondContact O-N 3.1Å
123	Q	86.8	Confident	92.8	Very high	142 Å²	142	39.2 Å²	39.2	66%	0.664	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	53.2	34	-169.3	-64.4	175.2	-15.8	0	0	113.3	G121 A125	G121-Q123 PolarHBondContact O-N 3.3Å; Q123-A125 PolarHBondContact O-N 2.9Å; Q123-A125 VanDerWaalsContact O-N 3.13Å
124	A	84.4	Confident	92.7	Very high	82 Å²	82	38.1 Å²	38.1	68%	0.678	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	58.3	21	-178.3	0	0	0	0	0	114.9	G121 Y122	G121-A124 PolarHBondContact O-N 3.48Å; G121-A124 VanDerWaalsContact O-N 3.13Å; Y122-A124 PolarHBondContact O-N 2.94Å
125	A	90.6	Very high	92.6	Very high	9 Å²	9	35.8 Å²	35.8	7%	0.074	18%	0.177	C	C	.	.			trans	-107.8	141.1	177.9	0	0	0	0	0	112	D74 R119 G121 Y122 Q123	D74-A125 HydrophobicContact CB-CB 4.05Å; D74-A125 WeakPolarHBondContact OD2-CA 3.29Å; R119-A125 CarbonylContact C-O 3.53Å; R119-A125 WeakPolarHBondContact CB-O 3.28Å; G121-A125 WeakPolarHBondContact CA-O 3.32Å; G121-A125 PolarHBondContact N-O 3.49Å; Y122-A125 PolarHBondContact O-N 3.1Å; Q123-A125 PolarHBondContact O-N 2.9Å; Q123-A125 VanDerWaalsContact O-N 3.13Å
126	Y	94.1	Very high	92.3	Very high	47 Å²	47	31 Å²	31	18%	0.184	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-122.9	95.8	-178.7	-63.8	-91.9	0	0	0	109.9	D74 L128 K293 L294 E296	D74-Y126 PolarHBondContact N-O 3.17Å; D74-Y126 PolarHBondContact OD2-N 3.02Å; Y126-L128 PolarHBondContact O-N 3.46Å; Y126-K293 HydrophobicContact CD1-CB 3.93Å; Y126-K293 HydrophobicContact CD1-CD 4.44Å; Y126-K293 HydrophobicContact CD2-CD 3.9Å; Y126-K293 HydrophobicContact CG-CB 4.01Å; Y126-K293 HydrophobicContact CG-CD 3.78Å; Y126-K293 HydrophobicContact CG-CG 4.47Å; Y126-L294 WeakPolarHBondContact CD1-O 3.38Å; Y126-E296 HydrophobicContact CD1-CB 4.33Å; Y126-E296 HydrophobicContact CE1-CB 3.79Å
127	D	96.5	Very high	91.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.			trans	-76.3	-10.2	-177	-68.3	-36.7	0	0	0	112.8	G72 D74 W75 W77 Y118 R119	G72-D127 WeakPolarHBondContact CA-O 3.32Å; G72-D127 PolarHBondContact N-O 3.03Å; D74-D127 VanDerWaalsContact O-OD1 3.09Å; W75-D127 HydrophobicContact CE3-CB 4.34Å; W77-D127 PolarHBondContact NE1-OD1 3.39Å; W77-D127 PolarHBondContact NE1-OD2 3.45Å; Y118-D127 HydrophobicContact CD1-CB 4.37Å; R119-D127 VanDerWaalsContact CB-OD2 3.22Å; R119-D127 WeakPolarHBondContact CB-OD2 3.4Å; R119-D127 VanDerWaalsContact CG-OD2 3.32Å; R119-D127 WeakPolarHBondContact CG-OD2 3.44Å; R119-D127 IonicContact CZ-OD1 3.33Å; R119-D127 IonicContact CZ-OD2 3.49Å; R119-D127 PolarHBondContact N-OD2 2.66Å; R119-D127 IonicContact NE-OD1 3.14Å; R119-D127 PolarHBondContact NE-OD1 3.4Å; R119-D127 IonicContact NE-OD2 3.67Å; R119-D127 PolarHBondContact NE-OD2 2.97Å; R119-D127 IonicContact NH2-OD1 3.3Å; R119-D127 PolarHBondContact NH2-OD1 3.5Å; R119-D127 IonicContact NH2-OD2 2.89Å; R119-D127 PolarHBondContact O-N 3.05Å
128	L	97.4	Very high	91.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144	-168.9	-62.7	170.5	0	0	0	111.9	V69 V70 W75 V106 V108 W110 Y118 T120 Y126 L294	V69-L128 HydrophobicContact CG2-CD2 4.22Å; V70-L128 WeakPolarHBondContact O-CA 3.2Å; W75-L128 HydrophobicContact CZ3-CD2 4.22Å; V106-L128 HydrophobicContact CG2-CD1 3.46Å; V106-L128 VanDerWaalsContact CG2-CD1 3.46Å; V108-L128 HydrophobicContact CG2-CD1 3.5Å; V108-L128 VanDerWaalsContact CG2-CD1 3.5Å; V108-L128 HydrophobicContact CG2-CD2 4.42Å; W110-L128 HydrophobicContact CH2-CD2 3.9Å; W110-L128 HydrophobicContact CZ2-CD2 3.92Å; Y118-L128 HydrophobicContact CD2-CD1 4.33Å; Y118-L128 HydrophobicContact CG-CD1 4.26Å; Y118-L128 HydrophobicContact CG-CD2 4.4Å; Y118-L128 HydrophobicContact CG-CG 4.42Å; T120-L128 HydrophobicContact CG2-CD1 4.45Å; Y126-L128 PolarHBondContact O-N 3.46Å; L128-L294 HydrophobicContact CB-CB 3.96Å; L128-L294 HydrophobicContact CB-CD2 4.15Å; L128-L294 HydrophobicContact CD1-CD2 3.87Å; L128-L294 PolarHBondContact O-N 2.94Å
129	L	96.8	Very high	91	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.6	169.6	-65.2	163.5	0	0	0	109.8	V69 V70 Y131 K288 L291 P292 K293	V69-L129 VanDerWaalsContact CA-O 3.24Å; V69-L129 WeakPolarHBondContact CA-O 3.4Å; V69-L129 WeakPolarHBondContact CB-O 3.07Å; V70-L129 HydrophobicContact CG2-CB 3.98Å; V70-L129 PolarHBondContact N-O 3.42Å; V70-L129 PolarHBondContact O-N 3.36Å; L129-Y131 PolarHBondContact O-N 3.47Å; L129-K288 HydrophobicContact CD1-CG 3.71Å; L129-L291 HydrophobicContact CB-CB 3.93Å; L129-L291 HydrophobicContact CB-CD1 4.16Å; L129-L291 HydrophobicContact CD1-CB 4.37Å; L129-L291 HydrophobicContact CD2-CB 4.33Å; L129-L291 HydrophobicContact CG-CB 4.42Å; L129-P292 CarbonylContact C-O 3.49Å; L129-P292 WeakPolarHBondContact CA-O 3.32Å; L129-P292 WeakPolarHBondContact CD2-O 3.41Å; L129-K293 HydrophobicContact CD2-CG 4.11Å
130	L	95.3	Very high	90.4	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.3	174.8	177.6	62.1	0	0	0	109.8	M67 N133 P292 L294	M67-L130 HydrophobicContact CB-CD1 3.83Å; M67-L130 HydrophobicContact CG-CD1 4.07Å; M67-L130 HydrophobicContact SD-CD1 4.02Å; L130-N133 HydrophobicContact CD1-CB 4.25Å; L130-N133 HydrophobicContact CD2-CB 4.19Å; L130-P292 HydrophobicContact CB-CB 4.29Å; L130-P292 HydrophobicContact CB-CG 4.02Å; L130-P292 HydrophobicContact CD2-CG 4.28Å; L130-P292 PolarHBondContact N-O 2.79Å; L130-P292 WeakPolarHBondContact O-CD 3.36Å; L130-L294 HydrophobicContact CB-CD1 4.48Å; L130-L294 HydrophobicContact CD1-CD1 4.47Å
131	Y	95.3	Very high	89.5	Confident	26 Å²	26	35.5 Å²	35.5	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-47.7	176.8	172.5	-99.6	0	0	0	112	R68 L129 M156 L208 L291	R68-Y131 HydrophobicContact CB-CD1 4.48Å; R68-Y131 PolarHBondContact O-N 2.81Å; L129-Y131 PolarHBondContact O-N 3.47Å; Y131-M156 WeakPolarHBondContact O-CE 3.24Å; Y131-L208 HydrophobicContact CD1-CD1 4.48Å; Y131-L208 HydrophobicContact CD1-CD2 4.36Å; Y131-L208 HydrophobicContact CD2-CD1 3.85Å; Y131-L208 HydrophobicContact CD2-CD2 4.41Å; Y131-L208 HydrophobicContact CE1-CD1 4.45Å; Y131-L208 HydrophobicContact CE1-CD2 3.59Å; Y131-L208 HydrophobicContact CE2-CD1 3.81Å; Y131-L208 HydrophobicContact CE2-CD2 3.64Å; Y131-L208 HydrophobicContact CE2-CG 4.35Å; Y131-L208 HydrophobicContact CG-CD1 4.21Å; Y131-L208 WeakPolarHBondContact OH-CD2 3.39Å; Y131-L291 HydrophobicContact CD2-CD1 4.41Å
132	D	94.1	Very high	88.7	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	137.6	-178.4	-169.4	15.7	0	0	0	111.1	R68 A134 Q135 R250	R68-D132 HydrophobicContact CB-CB 4.07Å; R68-D132 HydrophobicContact CG-CB 4.43Å; R68-D132 PolarHBondContact N-O 2.92Å; R68-D132 PolarHBondContact O-N 3Å; R68-D132 VanDerWaalsContact O-N 3.17Å; D132-A134 WeakPolarHBondContact OD1-CB 3.48Å; D132-A134 PolarHBondContact OD1-N 3.48Å; D132-A134 VanDerWaalsContact OD1-N 3.08Å; D132-Q135 PolarHBondContact O-OE1 3.21Å; D132-Q135 PolarHBondContact OD2-NE2 3.27Å; D132-Q135 PolarHBondContact OD2-OE1 3.04Å; D132-R250 VanDerWaalsContact CG-NH2 3.34Å; D132-R250 IonicContact OD1-CZ 3.47Å; D132-R250 IonicContact OD1-NE 2.72Å; D132-R250 IonicContact OD1-NH2 3.01Å; D132-R250 PolarHBondContact OD1-NH2 3.11Å; D132-R250 IonicContact OD2-CZ 3.69Å; D132-R250 IonicContact OD2-NE 3.31Å; D132-R250 PolarHBondContact OD2-NE 3.39Å; D132-R250 IonicContact OD2-NH2 3.31Å; D132-R250 PolarHBondContact OD2-NH2 2.84Å; D132-R250 VanDerWaalsContact OD2-NH2 3.13Å
133	N	93.4	Very high	88	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.016	21%	0.214	C	C	.	.			trans	-124	12.5	178.7	61	-6.1	0	0	0	112.5	M67 L130 Q135 I136 V138 G155 M156 E188	M67-N133 HydrophobicContact CG-CB 4.45Å; L130-N133 HydrophobicContact CD1-CB 4.25Å; L130-N133 HydrophobicContact CD2-CB 4.19Å; N133-Q135 PolarHBondContact O-N 3.01Å; N133-I136 HydrophobicContact CB-CD1 4.28Å; N133-I136 HydrophobicContact CB-CG1 4.18Å; N133-I136 WeakPolarHBondContact O-CG1 3.39Å; N133-I136 PolarHBondContact O-N 3.48Å; N133-V138 HydrophobicContact CB-CG2 4.27Å; N133-V138 WeakPolarHBondContact O-CB 3.29Å; N133-G155 VanDerWaalsContact OD1-C 3.31Å; N133-G155 WeakPolarHBondContact OD1-CA 3.36Å; N133-M156 PolarHBondContact OD1-N 3.48Å; N133-M156 VanDerWaalsContact OD1-N 3.14Å; N133-E188 PolarHBondContact ND2-O 3.33Å
134	A	91.5	Very high	87.4	Confident	1 Å²	1	35 Å²	35	1%	0.008	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.9	-26.4	171.7	0	0	0	0	0	113.1	D132 I136 G137 M154 G249	D132-A134 WeakPolarHBondContact OD1-CB 3.48Å; D132-A134 PolarHBondContact OD1-N 3.48Å; D132-A134 VanDerWaalsContact OD1-N 3.08Å; A134-I136 PolarHBondContact O-N 3.45Å; A134-G137 PolarHBondContact O-N 3.19Å; A134-M154 HydrophobicContact CB-CB 4Å; A134-G249 CarbonylContact C-O 3.49Å; A134-G249 WeakPolarHBondContact CB-O 3.24Å; A134-G249 PolarHBondContact O-N 3.34Å
135	Q	91.8	Very high	87.5	Confident	9 Å²	9	31 Å²	31	4%	0.042	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.9	-25.2	-177.3	-67.9	73.9	15.7	0	0	112.6	G66 R68 D132 N133 S248 G249 R250	G66-Q135 WeakPolarHBondContact O-CB 3.38Å; R68-Q135 HydrophobicContact CG-CG 3.94Å; D132-Q135 PolarHBondContact O-OE1 3.21Å; D132-Q135 PolarHBondContact OD2-NE2 3.27Å; D132-Q135 PolarHBondContact OD2-OE1 3.04Å; N133-Q135 PolarHBondContact O-N 3.01Å; Q135-S248 VanDerWaalsContact O-CB 3.3Å; Q135-S248 WeakPolarHBondContact O-CB 3.35Å; Q135-G249 WeakPolarHBondContact CA-O 3.26Å; Q135-G249 PolarHBondContact N-O 2.85Å; Q135-R250 WeakPolarHBondContact CG-O 3.47Å; Q135-R250 PolarHBondContact NE2-O 3.25Å
136	I	89	Confident	87.3	Confident	40 Å²	40	32 Å²	32	21%	0.205	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-95.1	7.9	175.4	63.8	159	0	0	0	112.6	E64 V65 M67 N133 A134 V138	E64-I136 HydrophobicContact CB-CB 4.35Å; E64-I136 HydrophobicContact CB-CD1 3.98Å; E64-I136 HydrophobicContact CB-CG2 4Å; E64-I136 HydrophobicContact CG-CD1 4.44Å; V65-I136 VanDerWaalsContact O-CG2 3.28Å; V65-I136 WeakPolarHBondContact O-CG2 3.26Å; M67-I136 HydrophobicContact CE-CD1 3.36Å; M67-I136 HydrophobicContact CG-CD1 4.03Å; M67-I136 HydrophobicContact CG-CG1 4.38Å; M67-I136 HydrophobicContact CG-CG2 4.01Å; N133-I136 HydrophobicContact CB-CD1 4.28Å; N133-I136 HydrophobicContact CB-CG1 4.18Å; N133-I136 WeakPolarHBondContact O-CG1 3.39Å; N133-I136 PolarHBondContact O-N 3.48Å; A134-I136 PolarHBondContact O-N 3.45Å; I136-V138 HydrophobicContact CD1-CG2 3.93Å; I136-V138 HydrophobicContact CG1-CG2 4Å
137	G	84.9	Confident	87	Confident	33 Å²	33	31.7 Å²	31.7	34%	0.34	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	9.1	175.2	0	0	0	0	0	115.4	A134 R139 E247	A134-G137 PolarHBondContact O-N 3.19Å; G137-R139 PolarHBondContact O-N 3.02Å; G137-E247 WeakPolarHBondContact CA-O 3.3Å
138	V	87.4	Confident	86.4	Confident	21 Å²	21	33.9 Å²	33.9	13%	0.127	19%	0.189	C	C	.	.			trans	-62.4	124.8	174.7	175	0	0	0	0	109.8	N133 I136 G155 T189	N133-V138 HydrophobicContact CB-CG2 4.27Å; N133-V138 WeakPolarHBondContact O-CB 3.29Å; I136-V138 HydrophobicContact CD1-CG2 3.93Å; I136-V138 HydrophobicContact CG1-CG2 4Å; V138-G155 PolarHBondContact O-N 2.92Å; V138-T189 HydrophobicContact CG1-CG2 4.46Å; V138-T189 HydrophobicContact CG2-CG2 4.23Å
139	R	82.8	Confident	85.7	Confident	117 Å²	117	40.5 Å²	40.5	44%	0.442	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	140.3	-179.6	-169.8	179.2	-173.3	-167	-2.8	111.5	G137 I153 M154	G137-R139 PolarHBondContact O-N 3.02Å; R139-I153 CarbonylContact C-O 3.49Å; R139-I153 WeakPolarHBondContact CA-O 3.34Å; R139-M154 HydrophobicContact CG-CG 4.14Å
140	H	82.4	Confident	84.8	Confident	11 Å²	11	46.6 Å²	46.6	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	78.1	169.7	-61.6	-101.4	0	0	0	108.9	N142 I143 G152 I153 G155 R157 T189 A190	H140-N142 VanDerWaalsContact C-N 3.26Å; H140-N142 PolarHBondContact O-N 3.03Å; H140-N142 VanDerWaalsContact O-N 3.13Å; H140-I143 HydrophobicContact CB-CB 4.07Å; H140-I143 HydrophobicContact CB-CG1 3.92Å; H140-I143 PolarHBondContact O-N 3.37Å; H140-G152 VanDerWaalsContact O-CA 3.29Å; H140-G152 WeakPolarHBondContact O-CA 3.44Å; H140-I153 HydrophobicContact CB-CB 4.33Å; H140-I153 PolarHBondContact N-O 2.85Å; H140-I153 PolarHBondContact O-N 2.88Å; H140-G155 PolarHBondContact CD2-O 3.06Å; H140-G155 VanDerWaalsContact CD2-O 3.29Å; H140-R157 WeakPolarHBondContact NE2-CB 3.49Å; H140-T189 PolarHBondContact CE1-O 3.35Å; H140-T189 VanDerWaalsContact CE1-O 3.29Å; H140-A190 PolarHBondContact CE1-N 2.82Å
141	S	72.4	Confident	83.9	Confident	72 Å²	72	52.9 Å²	52.9	50%	0.503	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	-34.7	-166.1	-59.1	0	0	0	0	114.9	G152	S141-G152 WeakPolarHBondContact O-CA 3.31Å
142	N	69.8	Low	83	Confident	145 Å²	145	51.8 Å²	51.8	78%	0.775	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	5.6	-175.6	-60	-16.3	0	0	0	113.6	H140	H140-N142 VanDerWaalsContact C-N 3.26Å; H140-N142 PolarHBondContact O-N 3.03Å; H140-N142 VanDerWaalsContact O-N 3.13Å
143	I	70.7	Confident	82.7	Confident	34 Å²	34	51.7 Å²	51.7	17%	0.174	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.9	-177.2	-51.3	-58.4	0	0	0	109.9	H140 G152 I153 D167	H140-I143 HydrophobicContact CB-CB 4.07Å; H140-I143 HydrophobicContact CB-CG1 3.92Å; H140-I143 PolarHBondContact O-N 3.37Å; I143-G152 VanDerWaalsContact O-CA 3.31Å; I143-G152 WeakPolarHBondContact O-CA 3.3Å; I143-G152 PolarHBondContact O-N 2.82Å; I143-I153 HydrophobicContact CB-CD1 4.37Å; I143-I153 HydrophobicContact CG2-CD1 3.65Å; I143-I153 HydrophobicContact CG2-CG1 4.32Å; I143-I153 PolarHBondContact O-N 3.17Å; I143-D167 HydrophobicContact CG2-CB 3.62Å
144	I	75.6	Confident	82.4	Confident	65 Å²	65	55.1 Å²	55.1	33%	0.333	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.6	178.9	-55.9	170.3	0	0	0	107.9	D146 H151	I144-D146 PolarHBondContact O-N 3.35Å; I144-H151 WeakPolarHBondContact CD1-CE1 3.19Å
145	C	85.2	Confident	82.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.286	C	S	.	.			trans	-76	117.4	169.2	176.9	0	0	0	0	110	S147 C148 K149 K150 I153 D167 C169	C145-S147 PolarHBondContact O-N 3.16Å; C145-S147 VanDerWaalsContact O-N 3.17Å; C145-C148 VanDerWaalsContact CB-SG 3.56Å; C145-K149 WeakPolarHBondContact O-CA 3.22Å; C145-K149 PolarHBondContact O-N 3.27Å; C145-K150 PolarHBondContact N-O 3.01Å; C145-I153 HydrophobicContact CB-CD1 4.29Å; C145-I153 HydrophobicContact CB-CG1 4.22Å; C145-D167 CarbonylContact C-O 3.5Å; C145-D167 WeakPolarHBondContact CA-O 3.41Å; C145-C169 HydrophobicContact CB-CB 4.14Å; C145-C169 PolarHBondContact SG-N 2.74Å
146	D	86.9	Confident	82.6	Confident	28 Å²	28	54.7 Å²	54.7	15%	0.15	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.8	-175.6	-75.4	-71	0	0	0	114.2	I144 K149 Y166 D167	I144-D146 PolarHBondContact O-N 3.35Å; D146-K149 WeakPolarHBondContact O-CE 3.3Å; D146-K149 PolarHBondContact O-NZ 3.43Å; D146-Y166 HydrophobicContact CB-CD1 4.17Å; D146-Y166 HydrophobicContact CB-CD2 3.82Å; D146-Y166 HydrophobicContact CB-CE1 3.86Å; D146-Y166 HydrophobicContact CB-CE2 3.5Å; D146-Y166 VanDerWaalsContact CB-CE2 3.5Å; D146-Y166 HydrophobicContact CB-CG 4.15Å; D146-Y166 WeakPolarHBondContact OD2-CA 3.35Å; D146-D167 PolarHBondContact N-O 2.99Å; D146-D167 PolarHBondContact OD2-N 3.42Å
147	S	87.9	Confident	82.8	Confident	41 Å²	41	54.3 Å²	54.3	29%	0.287	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-47.1	178.4	-180	0	0	0	0	113.6	C145 K177	C145-S147 PolarHBondContact O-N 3.16Å; C145-S147 VanDerWaalsContact O-N 3.17Å; S147-K177 WeakPolarHBondContact OG-CB 3.23Å; S147-K177 WeakPolarHBondContact OG-CD 3.39Å; S147-K177 VanDerWaalsContact OG-CG 3.28Å; S147-K177 WeakPolarHBondContact OG-CG 3.42Å
148	C	83.7	Confident	83.4	Confident	47 Å²	47	52.8 Å²	52.8	32%	0.318	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-1	-177.3	68.4	0	0	0	0	113.9	C145 K150 C172	C145-C148 VanDerWaalsContact CB-SG 3.56Å; C148-K150 PolarHBondContact O-N 2.74Å; C148-C172 VanDerWaalsContact CB-SG 3.59Å; C148-C172 VanDerWaalsContact SG-SG 3.66Å
149	K	83.8	Confident	83.7	Confident	138 Å²	138	53.7 Å²	53.7	60%	0.6	27%	0.266	S	S	*	.			trans	57.8	16.5	179.1	-51.3	-55	-171.7	-171.3	0	115	C145 D146	C145-K149 WeakPolarHBondContact O-CA 3.22Å; C145-K149 PolarHBondContact O-N 3.27Å; D146-K149 WeakPolarHBondContact O-CE 3.3Å; D146-K149 PolarHBondContact O-NZ 3.43Å
150	K	76.6	Confident	83.9	Confident	132 Å²	132	48.2 Å²	48.2	57%	0.574	25%	0.246	S	C	*	.			trans	-74.7	127.8	175.6	-69	-175.7	178.8	-179.3	0	110.6	C145 C148	C145-K150 PolarHBondContact N-O 3.01Å; C148-K150 PolarHBondContact O-N 2.74Å
151	H	77.1	Confident	84.2	Confident	140 Å²	140	52.4 Å²	52.4	65%	0.648	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	138	175.5	-77	-100.6	0	0	0	112.1	I144	I144-H151 WeakPolarHBondContact CD1-CE1 3.19Å
152	G	76.3	Confident	84.5	Confident	4 Å²	4	53 Å²	53	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.1	81.1	177	0	0	0	0	0	111.5	H140 S141 I143 M154	H140-G152 VanDerWaalsContact O-CA 3.29Å; H140-G152 WeakPolarHBondContact O-CA 3.44Å; S141-G152 WeakPolarHBondContact O-CA 3.31Å; I143-G152 VanDerWaalsContact O-CA 3.31Å; I143-G152 WeakPolarHBondContact O-CA 3.3Å; I143-G152 PolarHBondContact O-N 2.82Å; G152-M154 PolarHBondContact O-N 2.79Å
153	I	87.1	Confident	84.2	Confident	5 Å²	5	48 Å²	48	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	113.9	-179.8	-64.5	176.8	0	0	0	109.5	R139 H140 I143 C145 R157 D167 C169	R139-I153 CarbonylContact C-O 3.49Å; R139-I153 WeakPolarHBondContact CA-O 3.34Å; H140-I153 HydrophobicContact CB-CB 4.33Å; H140-I153 PolarHBondContact N-O 2.85Å; H140-I153 PolarHBondContact O-N 2.88Å; I143-I153 HydrophobicContact CB-CD1 4.37Å; I143-I153 HydrophobicContact CG2-CD1 3.65Å; I143-I153 HydrophobicContact CG2-CG1 4.32Å; I143-I153 PolarHBondContact O-N 3.17Å; C145-I153 HydrophobicContact CB-CD1 4.29Å; C145-I153 HydrophobicContact CB-CG1 4.22Å; I153-R157 HydrophobicContact CD1-CG 4.47Å; I153-D167 HydrophobicContact CD1-CB 4.1Å; I153-C169 HydrophobicContact CG1-CB 4.33Å; I153-C169 HydrophobicContact CG2-CB 3.84Å
154	M	88.6	Confident	83.6	Confident	75 Å²	75	54 Å²	54	37%	0.369	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131	174.7	-67.9	179.5	-81.3	0	0	109.8	A134 R139 G152 R250	A134-M154 HydrophobicContact CB-CB 4Å; R139-M154 HydrophobicContact CG-CG 4.14Å; G152-M154 PolarHBondContact O-N 2.79Å; M154-R250 PolarHBondContact O-NH1 3.41Å; M154-R250 PolarHBondContact O-NH2 3.23Å
155	G	91.4	Very high	83	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	82.1	-156	-171.8	0	0	0	0	0	112.3	N133 V138 H140	N133-G155 VanDerWaalsContact OD1-C 3.31Å; N133-G155 WeakPolarHBondContact OD1-CA 3.36Å; V138-G155 PolarHBondContact O-N 2.92Å; H140-G155 PolarHBondContact CD2-O 3.06Å; H140-G155 VanDerWaalsContact CD2-O 3.29Å
156	M	94.3	Very high	82.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.			trans	-60.4	142.3	-178.8	-59.2	-172.8	-87.1	0	0	113.2	Y131 N133 W158 T170 R186 Y187 E188 L291 P292	Y131-M156 WeakPolarHBondContact O-CE 3.24Å; N133-M156 PolarHBondContact OD1-N 3.48Å; N133-M156 VanDerWaalsContact OD1-N 3.14Å; M156-W158 HydrophobicContact CB-CZ2 4.21Å; M156-W158 HydrophobicContact CE-CZ2 3.97Å; M156-W158 PolarHBondContact O-NE1 2.88Å; M156-W158 HydrophobicContact SD-CZ2 4.25Å; M156-T170 PolarHBondContact O-OG1 2.68Å; M156-R186 HydrophobicContact SD-CG 4.33Å; M156-Y187 WeakPolarHBondContact CA-O 3.42Å; M156-E188 HydrophobicContact SD-CG 4.27Å; M156-L291 HydrophobicContact CE-CD2 4.27Å; M156-P292 HydrophobicContact SD-CG 3.79Å
157	R	94.8	Very high	83.1	Confident	33 Å²	33	55.4 Å²	55.4	13%	0.125	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.1	174.4	167.2	-169.2	-176.8	-177.9	10.3	110.3	H140 I153 D167 Y187	H140-R157 WeakPolarHBondContact NE2-CB 3.49Å; I153-R157 HydrophobicContact CD1-CG 4.47Å; R157-D167 IonicContact CZ-OD1 3.58Å; R157-D167 IonicContact CZ-OD2 3.93Å; R157-D167 IonicContact NE-OD1 3.67Å; R157-D167 PolarHBondContact NE-OD1 3.31Å; R157-D167 IonicContact NE-OD2 2.8Å; R157-D167 VanDerWaalsContact NH2-CG 3.3Å; R157-D167 IonicContact NH2-OD1 4Å; R157-D167 PolarHBondContact NH2-OD1 3.09Å; R157-D167 VanDerWaalsContact NH2-OD1 3.15Å; R157-D167 IonicContact NH2-OD2 3.13Å; R157-D167 PolarHBondContact NH2-OD2 2.86Å; R157-Y187 HydrophobicContact CG-CD2 4.23Å; R157-Y187 PolarHBondContact N-O 2.89Å; R157-Y187 PolarHBondContact O-N 3.16Å
158	W	96.9	Very high	83.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	101.6	-178.2	-49.3	78.4	0	0	0	109.1	M156 L168 T170 Y173 M174 F184 E185 R186 L197 H290 L291	M156-W158 HydrophobicContact CB-CZ2 4.21Å; M156-W158 HydrophobicContact CE-CZ2 3.97Å; M156-W158 PolarHBondContact O-NE1 2.88Å; M156-W158 HydrophobicContact SD-CZ2 4.25Å; W158-L168 HydrophobicContact CB-CB 4.25Å; W158-L168 VanDerWaalsContact CD1-O 3.28Å; W158-L168 PolarHBondContact N-O 3.29Å; W158-L168 PolarHBondContact O-N 3.25Å; W158-T170 HydrophobicContact CZ2-CG2 4.14Å; W158-T170 PolarHBondContact NE1-OG1 2.74Å; W158-Y173 HydrophobicContact CB-CD2 3.61Å; W158-Y173 HydrophobicContact CB-CE2 4.22Å; W158-Y173 HydrophobicContact CB-CG 3.92Å; W158-Y173 AromaticContact CD2-CD1 3.58Å; W158-Y173 HydrophobicContact CD2-CD1 3.58Å; W158-Y173 AromaticContact CD2-CD2 3.97Å; W158-Y173 HydrophobicContact CD2-CD2 3.97Å; W158-Y173 AromaticContact CD2-CE1 4Å; W158-Y173 HydrophobicContact CD2-CE1 4Å; W158-Y173 HydrophobicContact CD2-CE2 4.35Å; W158-Y173 AromaticContact CD2-CG 3.54Å; W158-Y173 HydrophobicContact CD2-CG 3.54Å; W158-Y173 AromaticContact CE3-CD1 3.39Å; W158-Y173 HydrophobicContact CE3-CD1 3.39Å; W158-Y173 AromaticContact CE3-CD2 3.91Å; W158-Y173 HydrophobicContact CE3-CD2 3.91Å; W158-Y173 AromaticContact CE3-CE1 3.29Å; W158-Y173 HydrophobicContact CE3-CE1 3.29Å; W158-Y173 AromaticContact CE3-CE2 3.82Å; W158-Y173 HydrophobicContact CE3-CE2 3.82Å; W158-Y173 AromaticContact CE3-CG 3.69Å; W158-Y173 HydrophobicContact CE3-CG 3.69Å; W158-Y173 AromaticContact CE3-CZ 3.49Å; W158-Y173 VanDerWaalsContact CE3-CZ 3.49Å; W158-Y173 HydrophobicContact CG-CD1 4.18Å; W158-Y173 AromaticContact CG-CD2 3.86Å; W158-Y173 HydrophobicContact CG-CD2 3.86Å; W158-Y173 AromaticContact CG-CG 3.63Å; W158-Y173 HydrophobicContact CG-CG 3.63Å; W158-Y173 HydrophobicContact CH2-CD1 4.14Å; W158-Y173 HydrophobicContact CH2-CE1 4.12Å; W158-Y173 HydrophobicContact CZ2-CD1 4.31Å; W158-Y173 AromaticContact CZ3-CD1 3.67Å; W158-Y173 HydrophobicContact CZ3-CD1 3.67Å; W158-Y173 AromaticContact CZ3-CE1 3.34Å; W158-Y173 HydrophobicContact CZ3-CE1 3.34Å; W158-Y173 HydrophobicContact CZ3-CG 4.42Å; W158-Y173 AromaticContact CZ3-CZ 3.86Å; W158-M174 HydrophobicContact CH2-CE 3.43Å; W158-M174 VanDerWaalsContact CH2-CE 3.43Å; W158-M174 HydrophobicContact CZ2-CE 3.49Å; W158-M174 VanDerWaalsContact CZ2-CE 3.49Å; W158-M174 HydrophobicContact CZ3-CE 4.27Å; W158-F184 HydrophobicContact CB-CD1 4.01Å; W158-F184 HydrophobicContact CB-CE1 4.5Å; W158-E185 WeakPolarHBondContact CA-O 3.34Å; W158-R186 HydrophobicContact CD2-CG 4.42Å; W158-R186 HydrophobicContact CE3-CB 4.17Å; W158-R186 HydrophobicContact CE3-CG 4.03Å; W158-R186 HydrophobicContact CH2-CG 3.97Å; W158-R186 HydrophobicContact CZ2-CG 4.34Å; W158-R186 HydrophobicContact CZ3-CB 4.15Å; W158-R186 HydrophobicContact CZ3-CG 3.81Å; W158-L197 HydrophobicContact CE3-CD1 3.82Å; W158-L197 HydrophobicContact CZ3-CD1 3.53Å; W158-H290 HydrophobicContact CZ3-CB 4.34Å; W158-L291 HydrophobicContact CH2-CD2 4.48Å
159	K	93.3	Very high	83.9	Confident	40 Å²	40	52 Å²	52	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128.5	-176.8	-172.7	177.5	179.3	65	0	110.5	D165 D167 F184 E185 Y187	K159-D165 IonicContact NZ-OD1 2.66Å; K159-D165 PolarHBondContact NZ-OD1 3.14Å; K159-D165 VanDerWaalsContact NZ-OD1 3.13Å; K159-D167 WeakPolarHBondContact CA-OD1 3.37Å; K159-D167 WeakPolarHBondContact CB-OD1 3.27Å; K159-D167 IonicContact NZ-OD2 3.8Å; K159-F184 CarbonylContact O-C 3.59Å; K159-F184 VanDerWaalsContact O-CA 3.25Å; K159-F184 WeakPolarHBondContact O-CA 3.44Å; K159-F184 VanDerWaalsContact O-CD1 3.31Å; K159-F184 WeakPolarHBondContact O-CD1 3.43Å; K159-E185 HydrophobicContact CB-CB 4.49Å; K159-E185 PolarHBondContact N-O 2.9Å; K159-E185 PolarHBondContact O-N 3Å; K159-Y187 HydrophobicContact CB-CD2 4.43Å; K159-Y187 HydrophobicContact CB-CE2 3.81Å; K159-Y187 HydrophobicContact CD-CE2 4.2Å
160	C	87.3	Confident	84.4	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135.2	174.2	-175.7	0	0	0	0	110.1	V162 C163 Y166 H178 F184	C160-V162 PolarHBondContact SG-N 2.9Å; C160-C163 HydrophobicContact CB-CB 4.22Å; C160-C163 PolarHBondContact SG-N 3.09Å; C160-C163 VanDerWaalsContact SG-N 3.4Å; C160-Y166 HydrophobicContact CB-CD1 4.37Å; C160-Y166 PolarHBondContact N-O 3.32Å; C160-H178 PolarHBondContact SG-NE2 3.3Å; C160-F184 HydrophobicContact CB-CD1 4.36Å; C160-F184 HydrophobicContact CB-CE1 3.88Å; C160-F184 HydrophobicContact CB-CE2 4.31Å; C160-F184 HydrophobicContact CB-CZ 3.85Å
161	K	88.3	Confident	85.2	Confident	98 Å²	98	44.6 Å²	44.6	43%	0.426	22%	0.217	S	C	.	.	S	Bend	trans	-82.6	-21.1	176.7	-67.9	-161.9	67.7	128.1	0	114	P183 E185 N196	K161-P183 HydrophobicContact CB-CG 4.27Å; K161-P183 PolarHBondContact N-O 3.13Å; K161-E185 HydrophobicContact CD-CG 3.84Å; K161-E185 WeakPolarHBondContact CE-OE1 3.31Å; K161-E185 HydrophobicContact CG-CG 3.79Å; K161-E185 IonicContact NZ-OE1 3.75Å; K161-E185 PolarHBondContact NZ-OE1 2.96Å; K161-N196 WeakPolarHBondContact CD-OD1 3.38Å; K161-N196 PolarHBondContact NZ-OD1 2.77Å
162	V	80.1	Confident	86.1	Confident	85 Å²	85	38.5 Å²	38.5	52%	0.515	19%	0.189	S	C	.	.	S	Bend	trans	-91.6	-40.1	-175.1	-177	0	0	0	0	110.7	C160 H182 P183	C160-V162 PolarHBondContact SG-N 2.9Å; V162-H182 HydrophobicContact CB-CB 4.45Å; V162-H182 HydrophobicContact CG2-CB 4.09Å; V162-P183 HydrophobicContact CG2-CG 4.27Å
163	C	62.8	Low	87.1	Confident	40 Å²	40	38.3 Å²	38.3	27%	0.27	19%	0.187	S	C	.	.	S	Bend	trans	-92.2	132.3	-177.8	-62	0	0	0	0	111.1	C160 D165 Y166 H178 H182	C160-C163 HydrophobicContact CB-CB 4.22Å; C160-C163 PolarHBondContact SG-N 3.09Å; C160-C163 VanDerWaalsContact SG-N 3.4Å; C163-D165 PolarHBondContact O-N 3.47Å; C163-Y166 HydrophobicContact CB-CG 4.33Å; C163-H178 PolarHBondContact SG-CE1 3.01Å; C163-H182 VanDerWaalsContact SG-CE1 3.52Å
164	F	56.9	Low	87.5	Confident	159 Å²	159	38.1 Å²	38.1	70%	0.697	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	122.4	174.2	-175.4	-97.7	0	0	0	110.7	Y166	F164-Y166 VanDerWaalsContact C-N 3.32Å; F164-Y166 PolarHBondContact O-N 2.86Å
165	D	64.1	Low	87.8	Confident	65 Å²	65	37.2 Å²	37.2	35%	0.348	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	47.5	175.6	-154	43.4	0	0	0	115.7	K159 C163 R710	K159-D165 IonicContact NZ-OD1 2.66Å; K159-D165 PolarHBondContact NZ-OD1 3.14Å; K159-D165 VanDerWaalsContact NZ-OD1 3.13Å; C163-D165 PolarHBondContact O-N 3.47Å; D165-R710 IonicContact OD2-NH2 3.39Å
166	Y	81.4	Confident	88	Confident	56 Å²	56	40 Å²	40	22%	0.22	20%	0.198	C	C	.	.			trans	-107.9	120	176.3	-164.7	-77.1	0	0	0	111.2	D146 C160 C163 F164 L168 H178	D146-Y166 HydrophobicContact CB-CD1 4.17Å; D146-Y166 HydrophobicContact CB-CD2 3.82Å; D146-Y166 HydrophobicContact CB-CE1 3.86Å; D146-Y166 HydrophobicContact CB-CE2 3.5Å; D146-Y166 VanDerWaalsContact CB-CE2 3.5Å; D146-Y166 HydrophobicContact CB-CG 4.15Å; D146-Y166 WeakPolarHBondContact OD2-CA 3.35Å; C160-Y166 HydrophobicContact CB-CD1 4.37Å; C160-Y166 PolarHBondContact N-O 3.32Å; C163-Y166 HydrophobicContact CB-CG 4.33Å; F164-Y166 VanDerWaalsContact C-N 3.32Å; F164-Y166 PolarHBondContact O-N 2.86Å; Y166-L168 HydrophobicContact CD1-CG 4.48Å; Y166-L168 HydrophobicContact CE1-CD2 3.71Å; Y166-L168 HydrophobicContact CE1-CG 3.98Å; Y166-H178 AromaticContact CD1-CE1 3.99Å; Y166-H178 AromaticContact CD1-ND1 3.75Å; Y166-H178 HydrophobicContact CE1-CB 3.79Å; Y166-H178 AromaticContact CE1-CG 3.61Å; Y166-H178 AromaticContact CE1-ND1 3.31Å; Y166-H178 VanDerWaalsContact CE1-ND1 3.31Å; Y166-H178 WeakPolarHBondContact CE1-ND1 3.34Å; Y166-H178 AromaticContact CE2-ND1 3.88Å; Y166-H178 AromaticContact CZ-ND1 3.39Å
167	D	91.6	Very high	87.9	Confident	3 Å²	3	45 Å²	45	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	138.5	-172.6	-76.8	-73.6	0	0	0	112.8	I143 C145 D146 I153 R157 K159	I143-D167 HydrophobicContact CG2-CB 3.62Å; C145-D167 CarbonylContact C-O 3.5Å; C145-D167 WeakPolarHBondContact CA-O 3.41Å; D146-D167 PolarHBondContact N-O 2.99Å; D146-D167 PolarHBondContact OD2-N 3.42Å; I153-D167 HydrophobicContact CD1-CB 4.1Å; R157-D167 IonicContact CZ-OD1 3.58Å; R157-D167 IonicContact CZ-OD2 3.93Å; R157-D167 IonicContact NE-OD1 3.67Å; R157-D167 PolarHBondContact NE-OD1 3.31Å; R157-D167 IonicContact NE-OD2 2.8Å; R157-D167 VanDerWaalsContact NH2-CG 3.3Å; R157-D167 IonicContact NH2-OD1 4Å; R157-D167 PolarHBondContact NH2-OD1 3.09Å; R157-D167 VanDerWaalsContact NH2-OD1 3.15Å; R157-D167 IonicContact NH2-OD2 3.13Å; R157-D167 PolarHBondContact NH2-OD2 2.86Å; K159-D167 WeakPolarHBondContact CA-OD1 3.37Å; K159-D167 WeakPolarHBondContact CB-OD1 3.27Å; K159-D167 IonicContact NZ-OD2 3.8Å
168	L	94.1	Very high	87.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.5	174.1	-64.3	-178.9	0	0	0	110.8	W158 Y166 C172 Y173 K177 H178 F184	W158-L168 HydrophobicContact CB-CB 4.25Å; W158-L168 VanDerWaalsContact CD1-O 3.28Å; W158-L168 PolarHBondContact N-O 3.29Å; W158-L168 PolarHBondContact O-N 3.25Å; Y166-L168 HydrophobicContact CD1-CG 4.48Å; Y166-L168 HydrophobicContact CE1-CD2 3.71Å; Y166-L168 HydrophobicContact CE1-CG 3.98Å; L168-C172 HydrophobicContact CB-CB 4.31Å; L168-C172 HydrophobicContact CD2-CB 3.96Å; L168-Y173 HydrophobicContact CD1-CD2 4.35Å; L168-K177 HydrophobicContact CD1-CB 4.43Å; L168-K177 WeakPolarHBondContact CD1-O 3.38Å; L168-K177 HydrophobicContact CD2-CB 4.45Å; L168-H178 HydrophobicContact CD1-CB 3.86Å; L168-F184 HydrophobicContact CD1-CE1 3.92Å; L168-F184 HydrophobicContact CD1-CZ 3.91Å; L168-F184 HydrophobicContact CG-CE1 4.2Å
169	C	95.4	Very high	87.5	Confident	16 Å²	16	49.1 Å²	49.1	11%	0.108	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	160.2	161.7	69.7	0	0	0	0	110.1	C145 I153 Q171 C172 Y173	C145-C169 HydrophobicContact CB-CB 4.14Å; C145-C169 PolarHBondContact SG-N 2.74Å; I153-C169 HydrophobicContact CG1-CB 4.33Å; I153-C169 HydrophobicContact CG2-CB 3.84Å; C169-Q171 VanDerWaalsContact C-N 3.25Å; C169-Q171 PolarHBondContact O-N 3.26Å; C169-Q171 VanDerWaalsContact O-N 3.17Å; C169-C172 PolarHBondContact O-N 3.16Å; C169-Y173 PolarHBondContact O-N 3.22Å
170	T	95.1	Very high	87.5	Confident	4 Å²	4	49.7 Å²	49.7	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-50	-43.9	179.3	-52.7	0	0	0	0	113	M156 W158 C172 Y173 M174	M156-T170 PolarHBondContact O-OG1 2.68Å; W158-T170 HydrophobicContact CZ2-CG2 4.14Å; W158-T170 PolarHBondContact NE1-OG1 2.74Å; T170-C172 PolarHBondContact O-N 3.17Å; T170-Y173 PolarHBondContact O-N 3.44Å; T170-M174 HydrophobicContact CG2-CE 4.07Å; T170-M174 HydrophobicContact CG2-CG 4.07Å; T170-M174 WeakPolarHBondContact O-CB 3.37Å; T170-M174 WeakPolarHBondContact O-CG 3.41Å; T170-M174 PolarHBondContact O-N 2.93Å
171	Q	93	Very high	87.7	Confident	111 Å²	111	51.7 Å²	51.7	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-39.7	-179.5	-167.9	175.4	23	0	0	112.8	C169 N175	C169-Q171 VanDerWaalsContact C-N 3.25Å; C169-Q171 PolarHBondContact O-N 3.26Å; C169-Q171 VanDerWaalsContact O-N 3.17Å; Q171-N175 WeakPolarHBondContact O-CB 3.27Å; Q171-N175 PolarHBondContact O-N 3.11Å; Q171-N175 PolarHBondContact O-ND2 2.93Å
172	C	95.4	Very high	87.9	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-73.2	-41.6	177	-69.9	0	0	0	0	111.6	C148 L168 C169 T170 M174 N175 K177	C148-C172 VanDerWaalsContact CB-SG 3.59Å; C148-C172 VanDerWaalsContact SG-SG 3.66Å; L168-C172 HydrophobicContact CB-CB 4.31Å; L168-C172 HydrophobicContact CD2-CB 3.96Å; C169-C172 PolarHBondContact O-N 3.16Å; T170-C172 PolarHBondContact O-N 3.17Å; C172-M174 PolarHBondContact O-N 3.49Å; C172-N175 PolarHBondContact O-N 3.32Å; C172-K177 HydrophobicContact CB-CB 4.03Å; C172-K177 HydrophobicContact CB-CG 3.97Å; C172-K177 VanDerWaalsContact O-CB 3.3Å; C172-K177 WeakPolarHBondContact O-CB 3.24Å; C172-K177 WeakPolarHBondContact O-CG 3.48Å; C172-K177 PolarHBondContact O-N 3.02Å; C172-K177 VanDerWaalsContact O-N 3.14Å
173	Y	97.2	Very high	88.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-47.4	179.1	-176.8	-96.8	0	0	0	111.7	W158 L168 C169 T170 N175 F184 R200 Y287 H290	W158-Y173 HydrophobicContact CB-CD2 3.61Å; W158-Y173 HydrophobicContact CB-CE2 4.22Å; W158-Y173 HydrophobicContact CB-CG 3.92Å; W158-Y173 AromaticContact CD2-CD1 3.58Å; W158-Y173 HydrophobicContact CD2-CD1 3.58Å; W158-Y173 AromaticContact CD2-CD2 3.97Å; W158-Y173 HydrophobicContact CD2-CD2 3.97Å; W158-Y173 AromaticContact CD2-CE1 4Å; W158-Y173 HydrophobicContact CD2-CE1 4Å; W158-Y173 HydrophobicContact CD2-CE2 4.35Å; W158-Y173 AromaticContact CD2-CG 3.54Å; W158-Y173 HydrophobicContact CD2-CG 3.54Å; W158-Y173 AromaticContact CE3-CD1 3.39Å; W158-Y173 HydrophobicContact CE3-CD1 3.39Å; W158-Y173 AromaticContact CE3-CD2 3.91Å; W158-Y173 HydrophobicContact CE3-CD2 3.91Å; W158-Y173 AromaticContact CE3-CE1 3.29Å; W158-Y173 HydrophobicContact CE3-CE1 3.29Å; W158-Y173 AromaticContact CE3-CE2 3.82Å; W158-Y173 HydrophobicContact CE3-CE2 3.82Å; W158-Y173 AromaticContact CE3-CG 3.69Å; W158-Y173 HydrophobicContact CE3-CG 3.69Å; W158-Y173 AromaticContact CE3-CZ 3.49Å; W158-Y173 VanDerWaalsContact CE3-CZ 3.49Å; W158-Y173 HydrophobicContact CG-CD1 4.18Å; W158-Y173 AromaticContact CG-CD2 3.86Å; W158-Y173 HydrophobicContact CG-CD2 3.86Å; W158-Y173 AromaticContact CG-CG 3.63Å; W158-Y173 HydrophobicContact CG-CG 3.63Å; W158-Y173 HydrophobicContact CH2-CD1 4.14Å; W158-Y173 HydrophobicContact CH2-CE1 4.12Å; W158-Y173 HydrophobicContact CZ2-CD1 4.31Å; W158-Y173 AromaticContact CZ3-CD1 3.67Å; W158-Y173 HydrophobicContact CZ3-CD1 3.67Å; W158-Y173 AromaticContact CZ3-CE1 3.34Å; W158-Y173 HydrophobicContact CZ3-CE1 3.34Å; W158-Y173 HydrophobicContact CZ3-CG 4.42Å; W158-Y173 AromaticContact CZ3-CZ 3.86Å; L168-Y173 HydrophobicContact CD1-CD2 4.35Å; C169-Y173 PolarHBondContact O-N 3.22Å; T170-Y173 PolarHBondContact O-N 3.44Å; Y173-N175 VanDerWaalsContact C-N 3.3Å; Y173-N175 PolarHBondContact O-N 2.87Å; Y173-F184 AromaticContact CD2-CD1 3.93Å; Y173-F184 HydrophobicContact CD2-CD1 3.93Å; Y173-F184 HydrophobicContact CD2-CE1 4.09Å; Y173-F184 HydrophobicContact CD2-CG 4.2Å; Y173-F184 HydrophobicContact CD2-CZ 4.49Å; Y173-F184 HydrophobicContact CE2-CB 3.82Å; Y173-F184 AromaticContact CE2-CD1 3.7Å; Y173-F184 HydrophobicContact CE2-CD1 3.7Å; Y173-F184 AromaticContact CE2-CD2 3.82Å; Y173-F184 HydrophobicContact CE2-CD2 3.82Å; Y173-F184 HydrophobicContact CE2-CE1 4.19Å; Y173-F184 HydrophobicContact CE2-CE2 4.31Å; Y173-F184 AromaticContact CE2-CG 3.5Å; Y173-F184 HydrophobicContact CE2-CG 3.5Å; Y173-F184 HydrophobicContact CE2-CZ 4.48Å; Y173-R200 HydrophobicContact CE1-CG 4.41Å; Y173-R200 HydrophobicContact CE2-CG 4.4Å; Y173-R200 VanDerWaalsContact CZ-CD 3.47Å; Y173-R200 PolarHBondContact O-NH1 3.34Å; Y173-Y287 HydrophobicContact CE1-CD2 4.27Å; Y173-H290 HydrophobicContact CE1-CB 4.47Å; Y173-H290 AromaticContact CE1-ND1 3.9Å; Y173-H290 AromaticContact CZ-ND1 3.84Å; Y173-H290 PolarHBondContact OH-CE1 3Å; Y173-H290 PolarHBondContact OH-ND1 3.14Å
174	M	96.2	Very high	90.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-72.9	-21.5	-178.9	-59.1	-58.8	174.3	0	0	113.7	W158 T170 C172 R205 F285 Y286 Y287 L291	W158-M174 HydrophobicContact CH2-CE 3.43Å; W158-M174 VanDerWaalsContact CH2-CE 3.43Å; W158-M174 HydrophobicContact CZ2-CE 3.49Å; W158-M174 VanDerWaalsContact CZ2-CE 3.49Å; W158-M174 HydrophobicContact CZ3-CE 4.27Å; T170-M174 HydrophobicContact CG2-CE 4.07Å; T170-M174 HydrophobicContact CG2-CG 4.07Å; T170-M174 WeakPolarHBondContact O-CB 3.37Å; T170-M174 WeakPolarHBondContact O-CG 3.41Å; T170-M174 PolarHBondContact O-N 2.93Å; C172-M174 PolarHBondContact O-N 3.49Å; M174-R205 PolarHBondContact O-NH1 2.97Å; M174-F285 WeakPolarHBondContact CB-O 3.29Å; M174-Y286 VanDerWaalsContact SD-CA 3.58Å; M174-Y287 HydrophobicContact SD-CD2 3.85Å; M174-Y287 PolarHBondContact SD-N 3.36Å; M174-Y287 VanDerWaalsContact SD-N 3.42Å; M174-L291 HydrophobicContact CE-CD2 3.5Å; M174-L291 VanDerWaalsContact CE-CD2 3.5Å
175	N	94.3	Very high	91.9	Very high	56 Å²	56	38.5 Å²	38.5	30%	0.299	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	29.1	178.6	-74.4	-53.4	0	0	0	113.8	Q171 C172 Y173 K177	Q171-N175 WeakPolarHBondContact O-CB 3.27Å; Q171-N175 PolarHBondContact O-N 3.11Å; Q171-N175 PolarHBondContact O-ND2 2.93Å; C172-N175 PolarHBondContact O-N 3.32Å; Y173-N175 VanDerWaalsContact C-N 3.3Å; Y173-N175 PolarHBondContact O-N 2.87Å; N175-K177 PolarHBondContact O-N 3.36Å; N175-K177 VanDerWaalsContact O-N 3.15Å
176	N	94.7	Very high	93.4	Very high	59 Å²	59	36.2 Å²	36.2	32%	0.316	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	29.7	172.9	-65.7	13.6	0	0	0	114.2	L180 R205 Y287	N176-L180 HydrophobicContact CB-CD1 4.33Å; N176-L180 HydrophobicContact CB-CD2 3.79Å; N176-R205 PolarHBondContact ND2-NH1 3.15Å; N176-R205 WeakPolarHBondContact OD1-CD 3.42Å; N176-R205 PolarHBondContact OD1-NH1 3.1Å; N176-Y287 PolarHBondContact OD1-OH 3.41Å
177	K	94.1	Very high	93.8	Very high	104 Å²	104	35.4 Å²	35.4	45%	0.452	18%	0.181	S	C	.	.			trans	-74.3	147.5	167.6	-57.5	-59.9	-174.2	-179.5	0	109.1	S147 L168 C172 N175 R200	S147-K177 WeakPolarHBondContact OG-CB 3.23Å; S147-K177 WeakPolarHBondContact OG-CD 3.39Å; S147-K177 VanDerWaalsContact OG-CG 3.28Å; S147-K177 WeakPolarHBondContact OG-CG 3.42Å; L168-K177 HydrophobicContact CD1-CB 4.43Å; L168-K177 WeakPolarHBondContact CD1-O 3.38Å; L168-K177 HydrophobicContact CD2-CB 4.45Å; C172-K177 HydrophobicContact CB-CB 4.03Å; C172-K177 HydrophobicContact CB-CG 3.97Å; C172-K177 VanDerWaalsContact O-CB 3.3Å; C172-K177 WeakPolarHBondContact O-CB 3.24Å; C172-K177 WeakPolarHBondContact O-CG 3.48Å; C172-K177 PolarHBondContact O-N 3.02Å; C172-K177 VanDerWaalsContact O-N 3.14Å; N175-K177 PolarHBondContact O-N 3.36Å; N175-K177 VanDerWaalsContact O-N 3.15Å; K177-R200 PolarHBondContact O-NH1 2.85Å; K177-R200 PolarHBondContact O-NH2 3.26Å
178	H	93.1	Very high	93.6	Very high	42 Å²	42	36.4 Å²	36.4	19%	0.194	19%	0.185	C	C	.	.	S	Bend	trans	68.1	167.2	-171.1	-165.9	71	0	0	0	114	C160 C163 Y166 L168 L180 H182 F184	C160-H178 PolarHBondContact SG-NE2 3.3Å; C163-H178 PolarHBondContact SG-CE1 3.01Å; Y166-H178 AromaticContact CD1-CE1 3.99Å; Y166-H178 AromaticContact CD1-ND1 3.75Å; Y166-H178 HydrophobicContact CE1-CB 3.79Å; Y166-H178 AromaticContact CE1-CG 3.61Å; Y166-H178 AromaticContact CE1-ND1 3.31Å; Y166-H178 VanDerWaalsContact CE1-ND1 3.31Å; Y166-H178 WeakPolarHBondContact CE1-ND1 3.34Å; Y166-H178 AromaticContact CE2-ND1 3.88Å; Y166-H178 AromaticContact CZ-ND1 3.39Å; L168-H178 HydrophobicContact CD1-CB 3.86Å; H178-L180 PolarHBondContact O-N 3.36Å; H178-H182 AromaticContact CD2-ND1 3.78Å; H178-H182 AromaticContact CE1-ND1 3.78Å; H178-H182 AromaticContact NE2-CE1 3.8Å; H178-H182 AromaticContact NE2-CG 3.82Å; H178-H182 AromaticContact NE2-ND1 2.91Å; H178-H182 PolarHBondContact NE2-ND1 2.82Å; H178-F184 HydrophobicContact CB-CZ 4.27Å; H178-F184 AromaticContact CD2-CE2 3.76Å; H178-F184 AromaticContact CD2-CZ 3.49Å; H178-F184 VanDerWaalsContact CD2-CZ 3.49Å; H178-F184 WeakPolarHBondContact CD2-CZ 3.35Å
179	D	89.3	Confident	93	Very high	79 Å²	79	38.5 Å²	38.5	42%	0.422	20%	0.198	S	C	.	.			trans	-55.3	132.7	176.5	-163	-34	0	0	0	110.7	S181 H182 R200	D179-S181 WeakPolarHBondContact OD1-CB 3.03Å; D179-S181 PolarHBondContact OD1-N 2.97Å; D179-S181 PolarHBondContact OD1-OG 2.76Å; D179-S181 PolarHBondContact OD2-OG 3.08Å; D179-H182 IonicContact OD2-NE2 3.61Å; D179-R200 PolarHBondContact O-NH2 3.33Å; D179-R200 VanDerWaalsContact O-NH2 3.13Å
180	L	93.9	Very high	91.9	Very high	51 Å²	51	40.3 Å²	40.3	27%	0.267	21%	0.214	S	C	.	.	S	Bend	trans	-82.5	-22.5	-178.6	-58.2	-177.6	0	0	0	112.2	N176 H178 H182 R200 Q201	N176-L180 HydrophobicContact CB-CD1 4.33Å; N176-L180 HydrophobicContact CB-CD2 3.79Å; H178-L180 PolarHBondContact O-N 3.36Å; L180-H182 PolarHBondContact O-N 3.1Å; L180-R200 HydrophobicContact CB-CB 4.43Å; L180-R200 HydrophobicContact CD2-CB 4.18Å; L180-R200 PolarHBondContact O-N 3.03Å; L180-Q201 HydrophobicContact CB-CB 4.39Å; L180-Q201 PolarHBondContact O-N 3.36Å
181	S	91.3	Very high	90.6	Very high	46 Å²	46	46.8 Å²	46.8	32%	0.322	24%	0.244	S	C	.	.	S	Bend	trans	-73.8	-16.9	176.1	70.1	0	0	0	0	112.7	D179 P199	D179-S181 WeakPolarHBondContact OD1-CB 3.03Å; D179-S181 PolarHBondContact OD1-N 2.97Å; D179-S181 PolarHBondContact OD1-OG 2.76Å; D179-S181 PolarHBondContact OD2-OG 3.08Å; S181-P199 WeakPolarHBondContact O-CB 3.19Å; S181-P199 WeakPolarHBondContact O-CG 3.43Å
182	H	91.3	Very high	89.6	Confident	32 Å²	32	41.8 Å²	41.8	15%	0.148	22%	0.221	C	C	.	.	S	Bend	trans	-77.1	130.2	179.1	-71.9	-174.6	0	0	0	112.1	V162 C163 H178 D179 L180 F184	V162-H182 HydrophobicContact CB-CB 4.45Å; V162-H182 HydrophobicContact CG2-CB 4.09Å; C163-H182 VanDerWaalsContact SG-CE1 3.52Å; H178-H182 AromaticContact CD2-ND1 3.78Å; H178-H182 AromaticContact CE1-ND1 3.78Å; H178-H182 AromaticContact NE2-CE1 3.8Å; H178-H182 AromaticContact NE2-CG 3.82Å; H178-H182 AromaticContact NE2-ND1 2.91Å; H178-H182 PolarHBondContact NE2-ND1 2.82Å; D179-H182 IonicContact OD2-NE2 3.61Å; L180-H182 PolarHBondContact O-N 3.1Å; H182-F184 HydrophobicContact CB-CE2 4.23Å; H182-F184 WeakPolarHBondContact O-CD2 3.43Å
183	P	92.3	Very high	88.7	Confident	39 Å²	39	43.8 Å²	43.8	25%	0.253	23%	0.229	S	C	.	.			trans	-71.7	153.6	166.9	28.5	-33.2	0	0	0	111.7	K161 V162 L197 P199	K161-P183 HydrophobicContact CB-CG 4.27Å; K161-P183 PolarHBondContact N-O 3.13Å; V162-P183 HydrophobicContact CG2-CG 4.27Å; P183-L197 WeakPolarHBondContact CB-O 2.85Å; P183-P199 HydrophobicContact CB-CG 4.3Å
184	F	96.6	Very high	88.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.6	-177.8	-84.4	-109.6	0	0	0	111.5	W158 K159 C160 L168 Y173 H178 H182 L197 R200	W158-F184 HydrophobicContact CB-CD1 4.01Å; W158-F184 HydrophobicContact CB-CE1 4.5Å; K159-F184 CarbonylContact O-C 3.59Å; K159-F184 VanDerWaalsContact O-CA 3.25Å; K159-F184 WeakPolarHBondContact O-CA 3.44Å; K159-F184 VanDerWaalsContact O-CD1 3.31Å; K159-F184 WeakPolarHBondContact O-CD1 3.43Å; C160-F184 HydrophobicContact CB-CD1 4.36Å; C160-F184 HydrophobicContact CB-CE1 3.88Å; C160-F184 HydrophobicContact CB-CE2 4.31Å; C160-F184 HydrophobicContact CB-CZ 3.85Å; L168-F184 HydrophobicContact CD1-CE1 3.92Å; L168-F184 HydrophobicContact CD1-CZ 3.91Å; L168-F184 HydrophobicContact CG-CE1 4.2Å; Y173-F184 AromaticContact CD2-CD1 3.93Å; Y173-F184 HydrophobicContact CD2-CD1 3.93Å; Y173-F184 HydrophobicContact CD2-CE1 4.09Å; Y173-F184 HydrophobicContact CD2-CG 4.2Å; Y173-F184 HydrophobicContact CD2-CZ 4.49Å; Y173-F184 HydrophobicContact CE2-CB 3.82Å; Y173-F184 AromaticContact CE2-CD1 3.7Å; Y173-F184 HydrophobicContact CE2-CD1 3.7Å; Y173-F184 AromaticContact CE2-CD2 3.82Å; Y173-F184 HydrophobicContact CE2-CD2 3.82Å; Y173-F184 HydrophobicContact CE2-CE1 4.19Å; Y173-F184 HydrophobicContact CE2-CE2 4.31Å; Y173-F184 AromaticContact CE2-CG 3.5Å; Y173-F184 HydrophobicContact CE2-CG 3.5Å; Y173-F184 HydrophobicContact CE2-CZ 4.48Å; H178-F184 HydrophobicContact CB-CZ 4.27Å; H178-F184 AromaticContact CD2-CE2 3.76Å; H178-F184 AromaticContact CD2-CZ 3.49Å; H178-F184 VanDerWaalsContact CD2-CZ 3.49Å; H178-F184 WeakPolarHBondContact CD2-CZ 3.35Å; H182-F184 HydrophobicContact CB-CE2 4.23Å; H182-F184 WeakPolarHBondContact O-CD2 3.43Å; F184-L197 WeakPolarHBondContact O-CA 3.24Å; F184-L197 WeakPolarHBondContact O-CB 3.33Å; F184-L197 PolarHBondContact O-N 2.74Å; F184-R200 VanDerWaalsContact CE2-NH2 3.32Å
185	E	95.5	Very high	87.9	Confident	33 Å²	33	48.6 Å²	48.6	15%	0.154	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.5	164.6	-77.1	170	179.3	0	0	109.4	W158 K159 K161 Y187 P194 V195 N196	W158-E185 WeakPolarHBondContact CA-O 3.34Å; K159-E185 HydrophobicContact CB-CB 4.49Å; K159-E185 PolarHBondContact N-O 2.9Å; K159-E185 PolarHBondContact O-N 3Å; K161-E185 HydrophobicContact CD-CG 3.84Å; K161-E185 WeakPolarHBondContact CE-OE1 3.31Å; K161-E185 HydrophobicContact CG-CG 3.79Å; K161-E185 IonicContact NZ-OE1 3.75Å; K161-E185 PolarHBondContact NZ-OE1 2.96Å; E185-Y187 HydrophobicContact CB-CE2 4.02Å; E185-Y187 PolarHBondContact OE2-OH 3.28Å; E185-P194 HydrophobicContact CB-CB 3.82Å; E185-P194 HydrophobicContact CG-CB 3.94Å; E185-V195 WeakPolarHBondContact CA-O 3.2Å; E185-N196 WeakPolarHBondContact CG-OD1 3.48Å; E185-N196 PolarHBondContact OE1-OD1 3.47Å
186	R	95	Very high	87.9	Confident	17 Å²	17	50.8 Å²	50.8	6%	0.064	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.4	174.5	-173.4	-173.2	74.9	-147.4	1.6	109.7	M156 W158 E188 V195 L197 H290 P292	M156-R186 HydrophobicContact SD-CG 4.33Å; W158-R186 HydrophobicContact CD2-CG 4.42Å; W158-R186 HydrophobicContact CE3-CB 4.17Å; W158-R186 HydrophobicContact CE3-CG 4.03Å; W158-R186 HydrophobicContact CH2-CG 3.97Å; W158-R186 HydrophobicContact CZ2-CG 4.34Å; W158-R186 HydrophobicContact CZ3-CB 4.15Å; W158-R186 HydrophobicContact CZ3-CG 3.81Å; R186-E188 IonicContact CZ-OE1 3.78Å; R186-E188 IonicContact NE-OE1 2.75Å; R186-E188 IonicContact NH2-OE1 3.7Å; R186-E188 PolarHBondContact NH2-OE1 3.37Å; R186-V195 PolarHBondContact N-O 3.34Å; R186-V195 PolarHBondContact O-N 2.97Å; R186-L197 HydrophobicContact CB-CD1 3.84Å; R186-L197 HydrophobicContact CB-CG 4.26Å; R186-H290 PolarHBondContact NH1-O 3.18Å; R186-P292 VanDerWaalsContact CZ-CG 3.48Å; R186-P292 VanDerWaalsContact NH1-N 3.18Å
187	Y	91.3	Very high	87.9	Confident	39 Å²	39	48.9 Å²	48.9	15%	0.153	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.5	169	-60.8	-100.6	0	0	0	108.2	M156 R157 K159 E185 P194	M156-Y187 WeakPolarHBondContact CA-O 3.42Å; R157-Y187 HydrophobicContact CG-CD2 4.23Å; R157-Y187 PolarHBondContact N-O 2.89Å; R157-Y187 PolarHBondContact O-N 3.16Å; K159-Y187 HydrophobicContact CB-CD2 4.43Å; K159-Y187 HydrophobicContact CB-CE2 3.81Å; K159-Y187 HydrophobicContact CD-CE2 4.2Å; E185-Y187 HydrophobicContact CB-CE2 4.02Å; E185-Y187 PolarHBondContact OE2-OH 3.28Å; Y187-P194 HydrophobicContact CD1-CB 4.31Å; Y187-P194 HydrophobicContact CE1-CB 3.71Å; Y187-P194 HydrophobicContact CE1-CG 4.06Å; Y187-P194 HydrophobicContact CE2-CB 4.08Å
188	E	87.1	Confident	87.8	Confident	25 Å²	25	47.9 Å²	47.9	12%	0.117	26%	0.264	C	S	.	.	S	Bend	trans	-76.6	-33.2	179.6	-71.4	176.7	-150.6	0	0	111.9	N133 M156 R186 S192 P292 A298	N133-E188 PolarHBondContact ND2-O 3.33Å; M156-E188 HydrophobicContact SD-CG 4.27Å; R186-E188 IonicContact CZ-OE1 3.78Å; R186-E188 IonicContact NE-OE1 2.75Å; R186-E188 IonicContact NH2-OE1 3.7Å; R186-E188 PolarHBondContact NH2-OE1 3.37Å; E188-S192 PolarHBondContact N-OG 3.11Å; E188-P292 HydrophobicContact CG-CG 3.9Å; E188-P292 VanDerWaalsContact OE1-CB 3.32Å; E188-P292 WeakPolarHBondContact OE1-CB 3.39Å; E188-P292 WeakPolarHBondContact OE1-CG 3.37Å; E188-A298 HydrophobicContact CG-CB 4.48Å
189	T	82.2	Confident	88	Confident	44 Å²	44	48.2 Å²	48.2	27%	0.27	27%	0.27	S	S	.	.	S	Bend	trans	-139.1	172.9	172.3	73.1	0	0	0	0	110.1	V138 H140 H191 S192	V138-T189 HydrophobicContact CG1-CG2 4.46Å; V138-T189 HydrophobicContact CG2-CG2 4.23Å; H140-T189 PolarHBondContact CE1-O 3.35Å; H140-T189 VanDerWaalsContact CE1-O 3.29Å; T189-H191 PolarHBondContact O-N 3.31Å; T189-H191 VanDerWaalsContact O-N 3.07Å; T189-H191 PolarHBondContact OG1-N 3.29Å; T189-S192 PolarHBondContact N-OG 2.91Å; T189-S192 PolarHBondContact O-N 2.86Å; T189-S192 PolarHBondContact O-OG 3.12Å; T189-S192 PolarHBondContact OG1-N 3.27Å
190	A	70.3	Confident	88.3	Confident	53 Å²	53	44.6 Å²	44.6	44%	0.438	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.2	175.2	0	0	0	0	0	114.3	H140	H140-A190 PolarHBondContact CE1-N 2.82Å
191	H	68.8	Low	88.3	Confident	141 Å²	141	47.4 Å²	47.4	65%	0.653	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	2.5	-173.5	-45	87.9	0	0	0	113.3	T189	T189-H191 PolarHBondContact O-N 3.31Å; T189-H191 VanDerWaalsContact O-N 3.07Å; T189-H191 PolarHBondContact OG1-N 3.29Å
192	S	72.7	Confident	88.3	Confident	6 Å²	6	52.6 Å²	52.6	4%	0.042	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-77.8	148.3	177	56.4	0	0	0	0	111	E188 T189	E188-S192 PolarHBondContact N-OG 3.11Å; T189-S192 PolarHBondContact N-OG 2.91Å; T189-S192 PolarHBondContact O-N 2.86Å; T189-S192 PolarHBondContact O-OG 3.12Å; T189-S192 PolarHBondContact OG1-N 3.27Å
193	Q	75.8	Confident	88.4	Confident	52 Å²	52	53.2 Å²	53.2	24%	0.243	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.9	165.3	-72	-173	-12.7	0	0	110.8	V195 E299 Q301 R302	Q193-V195 PolarHBondContact O-N 3.02Å; Q193-E299 VanDerWaalsContact CB-O 3.25Å; Q193-E299 WeakPolarHBondContact CB-O 3.43Å; Q193-E299 HydrophobicContact CG-CB 4.47Å; Q193-E299 VanDerWaalsContact CG-O 3.31Å; Q193-E299 WeakPolarHBondContact CG-O 3.02Å; Q193-E299 PolarHBondContact N-O 3.36Å; Q193-Q301 HydrophobicContact CG-CB 4.05Å; Q193-Q301 HydrophobicContact CG-CG 4.22Å; Q193-R302 VanDerWaalsContact NE2-N 3.15Å
194	P	86	Confident	88.4	Confident	49 Å²	49	55.8 Å²	55.8	32%	0.318	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.6	131.7	171.3	23.4	-29.1	0	0	0	110.7	E185 Y187	E185-P194 HydrophobicContact CB-CB 3.82Å; E185-P194 HydrophobicContact CG-CB 3.94Å; Y187-P194 HydrophobicContact CD1-CB 4.31Å; Y187-P194 HydrophobicContact CE1-CB 3.71Å; Y187-P194 HydrophobicContact CE1-CG 4.06Å; Y187-P194 HydrophobicContact CE2-CB 4.08Å
195	V	90.4	Very high	88.3	Confident	53 Å²	53	59.7 Å²	59.7	32%	0.321	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.1	169.1	-179.1	0	0	0	0	108.7	E185 R186 Q193 L197	E185-V195 WeakPolarHBondContact CA-O 3.2Å; R186-V195 PolarHBondContact N-O 3.34Å; R186-V195 PolarHBondContact O-N 2.97Å; Q193-V195 PolarHBondContact O-N 3.02Å; V195-L197 HydrophobicContact CG1-CD2 4.42Å
196	N	93.8	Very high	88.3	Confident	102 Å²	102	59.4 Å²	59.4	55%	0.545	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.2	176	-73.2	-49.9	0	0	0	111	K161 E185	K161-N196 WeakPolarHBondContact CD-OD1 3.38Å; K161-N196 PolarHBondContact NZ-OD1 2.77Å; E185-N196 WeakPolarHBondContact CG-OD1 3.48Å; E185-N196 PolarHBondContact OE1-OD1 3.47Å
197	L	94.7	Very high	88.4	Confident	19 Å²	19	61.5 Å²	61.5	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	149.3	178.1	-57.9	179.2	0	0	0	111.2	W158 P183 F184 R186 V195 H290	W158-L197 HydrophobicContact CE3-CD1 3.82Å; W158-L197 HydrophobicContact CZ3-CD1 3.53Å; P183-L197 WeakPolarHBondContact CB-O 2.85Å; F184-L197 WeakPolarHBondContact O-CA 3.24Å; F184-L197 WeakPolarHBondContact O-CB 3.33Å; F184-L197 PolarHBondContact O-N 2.74Å; R186-L197 HydrophobicContact CB-CD1 3.84Å; R186-L197 HydrophobicContact CB-CG 4.26Å; V195-L197 HydrophobicContact CG1-CD2 4.42Å; L197-H290 HydrophobicContact CD1-CB 4.06Å; L197-H290 HydrophobicContact CD2-CB 4.47Å
198	T	93.6	Very high	88.6	Confident	83 Å²	83	59.6 Å²	59.6	51%	0.509	33%	0.325	S	S	.	.			trans	-65.8	155.3	169.5	51.4	0	0	0	0	111.2	H290	T198-H290 PolarHBondContact O-CE1 3.23Å; T198-H290 PolarHBondContact O-NE2 2.88Å; T198-H290 PolarHBondContact OG1-NE2 2.87Å
199	P	96	Very high	89	Confident	50 Å²	50	61.1 Å²	61.1	33%	0.325	33%	0.332	S	S	.	.			trans	-52.6	147.3	169.7	-28.4	37.2	0	0	0	112.3	S181 P183 Q201 L203	S181-P199 WeakPolarHBondContact O-CB 3.19Å; S181-P199 WeakPolarHBondContact O-CG 3.43Å; P183-P199 HydrophobicContact CB-CG 4.3Å; P199-Q201 PolarHBondContact O-N 2.74Å; P199-L203 WeakPolarHBondContact O-CD1 3.42Å
200	R	96.7	Very high	89.7	Confident	2 Å²	2	59 Å²	59	1%	0.008	32%	0.319	C	S	.	.	S	Bend	trans	-76.1	-15.2	177.4	-73.1	171.9	-71	165.5	10.6	112.8	Y173 K177 D179 L180 F184 N202 L203 Y287	Y173-R200 HydrophobicContact CE1-CG 4.41Å; Y173-R200 HydrophobicContact CE2-CG 4.4Å; Y173-R200 VanDerWaalsContact CZ-CD 3.47Å; Y173-R200 PolarHBondContact O-NH1 3.34Å; K177-R200 PolarHBondContact O-NH1 2.85Å; K177-R200 PolarHBondContact O-NH2 3.26Å; D179-R200 PolarHBondContact O-NH2 3.33Å; D179-R200 VanDerWaalsContact O-NH2 3.13Å; L180-R200 HydrophobicContact CB-CB 4.43Å; L180-R200 HydrophobicContact CD2-CB 4.18Å; L180-R200 PolarHBondContact O-N 3.03Å; F184-R200 VanDerWaalsContact CE2-NH2 3.32Å; R200-N202 PolarHBondContact O-N 2.86Å; R200-L203 PolarHBondContact O-N 2.85Å; R200-L203 VanDerWaalsContact O-N 3.07Å; R200-Y287 HydrophobicContact CB-CE1 4.04Å; R200-Y287 HydrophobicContact CB-CE2 4.27Å; R200-Y287 VanDerWaalsContact CD-CE2 3.49Å; R200-Y287 HydrophobicContact CG-CD2 4.14Å; R200-Y287 HydrophobicContact CG-CE1 4.18Å; R200-Y287 HydrophobicContact CG-CE2 3.81Å; R200-Y287 HydrophobicContact CG-CG 4.5Å
201	Q	93.7	Very high	90.8	Very high	110 Å²	110	56.6 Å²	56.6	51%	0.514	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	125.8	179.4	-167.7	171.7	22.5	0	0	110.4	L180 P199 L203	L180-Q201 HydrophobicContact CB-CB 4.39Å; L180-Q201 PolarHBondContact O-N 3.36Å; P199-Q201 PolarHBondContact O-N 2.74Å; Q201-L203 PolarHBondContact O-N 3.27Å
202	N	91.4	Very high	92	Very high	155 Å²	155	51.3 Å²	51.3	83%	0.829	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	7.7	-178.1	-49.3	-39.5	0	0	0	116.3	R200	R200-N202 PolarHBondContact O-N 2.86Å
203	L	93.3	Very high	93	Very high	46 Å²	46	57.8 Å²	57.8	24%	0.241	30%	0.303	C	S	.	.			trans	-78.9	138	173.2	-66.9	-175.8	0	0	0	111.5	P199 R200 Q201 Y287 H290	P199-L203 WeakPolarHBondContact O-CD1 3.42Å; R200-L203 PolarHBondContact O-N 2.85Å; R200-L203 VanDerWaalsContact O-N 3.07Å; Q201-L203 PolarHBondContact O-N 3.27Å; L203-Y287 HydrophobicContact CB-CD1 3.69Å; L203-Y287 HydrophobicContact CB-CE1 3.81Å; L203-Y287 HydrophobicContact CD1-CD1 4.35Å; L203-H290 WeakPolarHBondContact CD1-CE1 3.46Å; L203-H290 WeakPolarHBondContact CD1-NE2 3.21Å
204	P	92.5	Very high	93.8	Very high	93 Å²	93	57 Å²	57	60%	0.604	31%	0.309	S	S	*	.			trans	-68.3	139.1	175	29.5	-33.8	0	0	0	110.1
205	R	94.1	Very high	94.2	Very high	81 Å²	81	55.1 Å²	55.1	31%	0.306	30%	0.297	S	S	.	.			trans	-109.7	140.5	171.9	-61.4	-171.3	-37	171.8	9.6	109.9	M174 N176 F285 Y286 Y287	M174-R205 PolarHBondContact O-NH1 2.97Å; N176-R205 PolarHBondContact ND2-NH1 3.15Å; N176-R205 WeakPolarHBondContact OD1-CD 3.42Å; N176-R205 PolarHBondContact OD1-NH1 3.1Å; R205-F285 HydrophobicContact CB-CB 4.26Å; R205-F285 HydrophobicContact CB-CD1 4.27Å; R205-F285 VanDerWaalsContact NH2-CE2 3.32Å; R205-F285 VanDerWaalsContact NH2-CG 3.3Å; R205-Y286 WeakPolarHBondContact CA-O 3.32Å; R205-Y287 VanDerWaalsContact CD-CZ 3.43Å; R205-Y287 WeakPolarHBondContact CD-OH 3.4Å; R205-Y287 HydrophobicContact CG-CD1 3.74Å; R205-Y287 HydrophobicContact CG-CD2 4.49Å; R205-Y287 HydrophobicContact CG-CE1 3.31Å; R205-Y287 HydrophobicContact CG-CE2 4.1Å; R205-Y287 HydrophobicContact CG-CG 4.33Å
206	I	96.1	Very high	94.5	Very high	27 Å²	27	58.3 Å²	58.3	14%	0.138	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.3	176.4	-60.7	171.1	0	0	0	108.4	E84 L208 F285 Y286 K288	E84-I206 HydrophobicContact CG-CD1 3.94Å; E84-I206 HydrophobicContact CG-CG2 4Å; I206-L208 PolarHBondContact O-N 3.06Å; I206-F285 CarbonylContact O-C 3.58Å; I206-F285 WeakPolarHBondContact O-CA 3.26Å; I206-Y286 HydrophobicContact CB-CD1 4.14Å; I206-Y286 HydrophobicContact CB-CE1 3.59Å; I206-Y286 HydrophobicContact CB-CE2 4.22Å; I206-Y286 HydrophobicContact CD1-CE2 4.01Å; I206-Y286 HydrophobicContact CG2-CD1 4.44Å; I206-Y286 HydrophobicContact CG2-CE1 3.52Å; I206-Y286 WeakPolarHBondContact CG2-OH 3.42Å; I206-Y286 PolarHBondContact N-O 2.89Å; I206-Y286 PolarHBondContact O-N 3.12Å; I206-K288 HydrophobicContact CD1-CB 3.85Å; I206-K288 HydrophobicContact CD1-CD 3.78Å; I206-K288 HydrophobicContact CD1-CG 4.21Å
207	I	96.3	Very high	94.6	Very high	61 Å²	61	53.5 Å²	53.5	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.6	174.1	-60.5	172	0	0	0	108.2	G85 K209 Q282 F285	G85-I207 WeakPolarHBondContact CA-O 3.2Å; I207-K209 HydrophobicContact CG2-CG 4.17Å; I207-Q282 HydrophobicContact CG2-CB 4.13Å; I207-Q282 HydrophobicContact CG2-CG 3.68Å; I207-F285 HydrophobicContact CG1-CD1 4.11Å; I207-F285 HydrophobicContact CG1-CE1 3.71Å
208	L	95.9	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132	175.7	-168.5	77.3	0	0	0	109.9	V70 G85 V87 Y131 I206 F212 Q282 G283 G284 Y286	V70-L208 HydrophobicContact CG1-CD1 3.95Å; G85-L208 WeakPolarHBondContact O-CA 3.28Å; V87-L208 HydrophobicContact CG2-CD1 3.46Å; V87-L208 VanDerWaalsContact CG2-CD1 3.46Å; V87-L208 HydrophobicContact CG2-CD2 4.28Å; V87-L208 HydrophobicContact CG2-CG 3.73Å; Y131-L208 HydrophobicContact CD1-CD1 4.48Å; Y131-L208 HydrophobicContact CD1-CD2 4.36Å; Y131-L208 HydrophobicContact CD2-CD1 3.85Å; Y131-L208 HydrophobicContact CD2-CD2 4.41Å; Y131-L208 HydrophobicContact CE1-CD1 4.45Å; Y131-L208 HydrophobicContact CE1-CD2 3.59Å; Y131-L208 HydrophobicContact CE2-CD1 3.81Å; Y131-L208 HydrophobicContact CE2-CD2 3.64Å; Y131-L208 HydrophobicContact CE2-CG 4.35Å; Y131-L208 HydrophobicContact CG-CD1 4.21Å; Y131-L208 WeakPolarHBondContact OH-CD2 3.39Å; I206-L208 PolarHBondContact O-N 3.06Å; L208-F212 HydrophobicContact CD2-CE1 3.95Å; L208-F212 HydrophobicContact CD2-CE2 4.14Å; L208-F212 HydrophobicContact CD2-CZ 3.35Å; L208-F212 HydrophobicContact CG-CE2 4.11Å; L208-F212 HydrophobicContact CG-CZ 3.76Å; L208-Q282 CarbonylContact O-C 3.34Å; L208-Q282 WeakPolarHBondContact O-CA 3.49Å; L208-G283 PolarHBondContact O-N 3.05Å; L208-G284 PolarHBondContact N-O 2.97Å; L208-Y286 HydrophobicContact CB-CD1 4.21Å; L208-Y286 HydrophobicContact CD1-CD1 3.71Å; L208-Y286 HydrophobicContact CD1-CE1 3.98Å
209	K	95.9	Very high	94.7	Very high	57 Å²	57	52.6 Å²	52.6	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.8	-173.1	-67.3	172.6	162	-133.7	0	112.2	G85 H86 V87 I207 D280 G281	G85-K209 PolarHBondContact O-N 3.33Å; H86-K209 CarbonylContact C-O 3.58Å; H86-K209 VanDerWaalsContact CA-O 3.25Å; H86-K209 WeakPolarHBondContact CA-O 3.44Å; V87-K209 WeakPolarHBondContact CG2-O 3.36Å; V87-K209 PolarHBondContact N-O 3Å; I207-K209 HydrophobicContact CG2-CG 4.17Å; K209-D280 HydrophobicContact CB-CB 4.42Å; K209-D280 VanDerWaalsContact CD-OD2 3.32Å; K209-D280 WeakPolarHBondContact CD-OD2 3.31Å; K209-D280 WeakPolarHBondContact CE-OD2 3.2Å; K209-D280 IonicContact NZ-OD2 3.68Å; K209-D280 PolarHBondContact NZ-OD2 3.44Å; K209-G281 VanDerWaalsContact CA-O 3.29Å; K209-G281 WeakPolarHBondContact CA-O 3.29Å
210	G	95	Very high	94.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.4	-151.8	-178.1	0	0	0	0	0	112.3	F212 G281	G210-F212 PolarHBondContact O-N 2.83Å; G210-G281 PolarHBondContact N-O 2.82Å; G210-G281 VanDerWaalsContact N-O 3.11Å; G210-G281 PolarHBondContact O-N 3.09Å
211	I	94.9	Very high	94.5	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	-82.7	99.2	177.7	-54.3	167.3	0	0	0	109.3	D111 V217 V238 I241 M267 L275 Y277	D111-I211 HydrophobicContact CB-CD1 4.1Å; D111-I211 HydrophobicContact CB-CG1 3.92Å; D111-I211 PolarHBondContact OD2-N 3.15Å; I211-V217 HydrophobicContact CG1-CG1 4.26Å; I211-V217 HydrophobicContact CG2-CG1 3.73Å; I211-V238 HydrophobicContact CG2-CG2 3.61Å; I211-I241 VanDerWaalsContact O-CD1 3.29Å; I211-I241 WeakPolarHBondContact O-CD1 3.03Å; I211-M267 HydrophobicContact CB-CE 3.5Å; I211-M267 HydrophobicContact CB-SD 4.19Å; I211-M267 HydrophobicContact CD1-CE 4.31Å; I211-M267 HydrophobicContact CG2-CE 3.24Å; I211-L275 HydrophobicContact CD1-CB 3.93Å; I211-L275 WeakPolarHBondContact CD1-O 3.36Å; I211-Y277 HydrophobicContact CG1-CD1 4.16Å
212	F	93.9	Very high	94.5	Very high	31 Å²	31	50.6 Å²	50.6	14%	0.136	27%	0.266	C	S	.	.			trans	-123.8	173.3	177.3	-65.3	-73.2	0	0	0	111.6	V87 L208 G210 G214 V215 V238 I241 G281	V87-F212 HydrophobicContact CG2-CE2 4.32Å; V87-F212 HydrophobicContact CG2-CZ 3.99Å; L208-F212 HydrophobicContact CD2-CE1 3.95Å; L208-F212 HydrophobicContact CD2-CE2 4.14Å; L208-F212 HydrophobicContact CD2-CZ 3.35Å; L208-F212 HydrophobicContact CG-CE2 4.11Å; L208-F212 HydrophobicContact CG-CZ 3.76Å; G210-F212 PolarHBondContact O-N 2.83Å; F212-G214 PolarHBondContact O-N 2.89Å; F212-V215 HydrophobicContact CB-CG2 4.33Å; F212-V215 VanDerWaalsContact O-CB 3.26Å; F212-V215 WeakPolarHBondContact O-CB 3.26Å; F212-V215 VanDerWaalsContact O-CG2 3.31Å; F212-V215 WeakPolarHBondContact O-CG2 3.32Å; F212-V215 PolarHBondContact O-N 3.37Å; F212-V215 VanDerWaalsContact O-N 3.08Å; F212-V238 WeakPolarHBondContact O-CB 3.5Å; F212-I241 HydrophobicContact CD1-CD1 4.29Å; F212-G281 WeakPolarHBondContact CD2-O 3.31Å
213	Q	93.5	Very high	94.7	Very high	141 Å²	141	44.7 Å²	44.7	66%	0.659	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	130.1	176.4	-174.4	174	27.9	0	0	111	V239	Q213-V239 WeakPolarHBondContact CG-O 3.33Å; Q213-V239 PolarHBondContact NE2-O 3.15Å
214	G	92.2	Very high	94.7	Very high	36 Å²	36	48.1 Å²	48.1	37%	0.371	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-11.1	-178.8	0	0	0	0	0	115.5	F212 V238	F212-G214 PolarHBondContact O-N 2.89Å; G214-V238 WeakPolarHBondContact CA-O 3.47Å; G214-V238 PolarHBondContact N-O 3.31Å
215	V	94.6	Very high	94.6	Very high	10 Å²	10	46.8 Å²	46.8	6%	0.061	23%	0.234	C	C	.	.			trans	-72	142.8	-178	174.4	0	0	0	0	111.9	F212 V217 K237 V238 S279	F212-V215 HydrophobicContact CB-CG2 4.33Å; F212-V215 VanDerWaalsContact O-CB 3.26Å; F212-V215 WeakPolarHBondContact O-CB 3.26Å; F212-V215 VanDerWaalsContact O-CG2 3.31Å; F212-V215 WeakPolarHBondContact O-CG2 3.32Å; F212-V215 PolarHBondContact O-N 3.37Å; F212-V215 VanDerWaalsContact O-N 3.08Å; V215-V217 HydrophobicContact CG1-CG1 4.25Å; V215-K237 WeakPolarHBondContact O-CA 3.45Å; V215-V238 WeakPolarHBondContact O-CG2 3.49Å; V215-V238 PolarHBondContact O-N 2.86Å; V215-S279 WeakPolarHBondContact CG1-O 3.48Å
216	K	95.7	Very high	94.5	Very high	120 Å²	120	45.2 Å²	45.2	52%	0.522	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129	173.1	-71.4	-179.1	-178.5	177.4	0	110.4	V235 G236 Y277 V278	K216-V235 HydrophobicContact CB-CG1 3.82Å; K216-V235 HydrophobicContact CD-CG1 4.23Å; K216-V235 HydrophobicContact CG-CG1 4.14Å; K216-G236 CarbonylContact C-O 3.52Å; K216-G236 VanDerWaalsContact CA-O 3.26Å; K216-G236 WeakPolarHBondContact CA-O 3.45Å; K216-Y277 WeakPolarHBondContact O-CA 3.21Å; K216-V278 HydrophobicContact CB-CB 4.49Å; K216-V278 PolarHBondContact O-N 3.48Å
217	V	96	Very high	94.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.2	-174.9	-64.2	0	0	0	0	111.9	I211 V215 V235 G236 V238 V255 W257 L275 K276	I211-V217 HydrophobicContact CG1-CG1 4.26Å; I211-V217 HydrophobicContact CG2-CG1 3.73Å; V215-V217 HydrophobicContact CG1-CG1 4.25Å; V217-V235 CarbonylContact O-C 3.57Å; V217-V235 WeakPolarHBondContact O-CA 3.28Å; V217-G236 PolarHBondContact N-O 3.29Å; V217-G236 PolarHBondContact O-N 3.39Å; V217-V238 HydrophobicContact CG1-CG2 3.71Å; V217-V238 HydrophobicContact CG2-CG2 4.1Å; V217-V255 HydrophobicContact CG2-CB 4.48Å; V217-V255 HydrophobicContact CG2-CG1 3.64Å; V217-V255 HydrophobicContact CG2-CG2 3.92Å; V217-W257 HydrophobicContact CG2-CH2 4.43Å; V217-L275 HydrophobicContact CG2-CD1 4.48Å; V217-L275 HydrophobicContact CG2-CD2 4.21Å; V217-K276 CarbonylContact C-O 3.58Å; V217-K276 WeakPolarHBondContact CA-O 3.31Å; V217-K276 WeakPolarHBondContact CB-O 3.17Å
218	V	96.4	Very high	94.1	Very high	25 Å²	25	50 Å²	50	15%	0.152	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	169.4	168.3	-68.2	0	0	0	0	108.8	G220 V235 K276 V278	V218-G220 PolarHBondContact O-N 2.8Å; V218-V235 HydrophobicContact CG1-CG2 4.14Å; V218-K276 HydrophobicContact CG2-CB 4.24Å; V218-K276 HydrophobicContact CG2-CD 4.5Å; V218-K276 HydrophobicContact CG2-CG 4.29Å; V218-K276 PolarHBondContact N-O 2.96Å; V218-K276 PolarHBondContact O-N 2.98Å; V218-V278 HydrophobicContact CG1-CG2 3.61Å; V218-V278 HydrophobicContact CG2-CG2 4.42Å
219	R	95.5	Very high	93.9	Very high	58 Å²	58	50 Å²	50	22%	0.219	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	133.5	170.7	64.5	172.4	70.1	-178.6	-2.4	111	W223 G226 N227 D229 G231	R219-W223 HydrophobicContact CB-CB 4.05Å; R219-W223 HydrophobicContact CB-CD2 3.47Å; R219-W223 VanDerWaalsContact CB-CD2 3.47Å; R219-W223 HydrophobicContact CB-CE3 3.55Å; R219-W223 HydrophobicContact CB-CG 3.73Å; R219-W223 HydrophobicContact CB-CZ3 4.14Å; R219-G226 PolarHBondContact NH2-O 2.94Å; R219-N227 PolarHBondContact NH2-OD1 3.13Å; R219-D229 IonicContact CZ-OD1 3.68Å; R219-D229 IonicContact CZ-OD2 3.25Å; R219-D229 VanDerWaalsContact CZ-OD2 3.25Å; R219-D229 IonicContact NE-OD1 3.91Å; R219-D229 IonicContact NE-OD2 2.7Å; R219-D229 PolarHBondContact NE-OD2 2.82Å; R219-D229 IonicContact NH2-OD1 2.7Å; R219-D229 PolarHBondContact NH2-OD1 3.24Å; R219-D229 IonicContact NH2-OD2 3Å; R219-D229 PolarHBondContact NH2-OD2 3.4Å; R219-G231 VanDerWaalsContact NH2-C 3.26Å
220	G	94.6	Very high	93.5	Very high	13 Å²	13	49 Å²	49	13%	0.134	27%	0.272	C	S	.	.			trans	-95.7	-174.9	179	0	0	0	0	0	112.7	V218 D222 W223 D274	V218-G220 PolarHBondContact O-N 2.8Å; G220-D222 PolarHBondContact O-N 3.32Å; G220-W223 WeakPolarHBondContact O-CB 3.34Å; G220-W223 PolarHBondContact O-N 2.78Å; G220-D274 WeakPolarHBondContact CA-O 3.12Å; G220-D274 PolarHBondContact N-O 2.81Å
221	P	92.6	Very high	93.2	Very high	75 Å²	75	49.5 Å²	49.5	49%	0.487	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.8	-171.7	25.2	-32.3	0	0	0	114.7	Q109 V273	Q109-P221 VanDerWaalsContact CD-CG 3.44Å; Q109-P221 HydrophobicContact CG-CG 3.98Å; P221-V273 WeakPolarHBondContact CD-O 3.41Å
222	D	95	Very high	92.8	Very high	32 Å²	32	57.5 Å²	57.5	17%	0.171	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	20.1	177.4	-68.9	-62.4	0	0	0	113.2	G220 D224 R266 K272 V273	G220-D222 PolarHBondContact O-N 3.32Å; D222-D224 PolarHBondContact O-N 2.79Å; D222-R266 PolarHBondContact O-NH2 2.84Å; D222-K272 HydrophobicContact CB-CB 4.3Å; D222-K272 HydrophobicContact CB-CD 3.95Å; D222-K272 VanDerWaalsContact CG-CD 3.46Å; D222-K272 WeakPolarHBondContact OD1-CD 3.28Å; D222-K272 IonicContact OD1-NZ 2.76Å; D222-K272 PolarHBondContact OD1-NZ 3.23Å; D222-K272 WeakPolarHBondContact OD2-CA 3.4Å; D222-V273 WeakPolarHBondContact CB-O 3.35Å; D222-V273 PolarHBondContact N-O 3.32Å; D222-V273 PolarHBondContact OD2-N 3.05Å
223	W	94.4	Very high	92.4	Very high	31 Å²	31	58.6 Å²	58.6	12%	0.117	34%	0.335	C	S	.	.			trans	-66.1	115.1	-176.5	-178.5	-86.9	0	0	0	113.2	R219 G220 W225 G226 D229 W257 Y265 L275	R219-W223 HydrophobicContact CB-CB 4.05Å; R219-W223 HydrophobicContact CB-CD2 3.47Å; R219-W223 VanDerWaalsContact CB-CD2 3.47Å; R219-W223 HydrophobicContact CB-CE3 3.55Å; R219-W223 HydrophobicContact CB-CG 3.73Å; R219-W223 HydrophobicContact CB-CZ3 4.14Å; G220-W223 WeakPolarHBondContact O-CB 3.34Å; G220-W223 PolarHBondContact O-N 2.78Å; W223-W225 HydrophobicContact CD2-CB 4.24Å; W223-W225 AromaticContact CE3-CD1 3.95Å; W223-W225 HydrophobicContact CH2-CB 4.23Å; W223-W225 HydrophobicContact CZ2-CB 3.76Å; W223-G226 PolarHBondContact NE1-O 2.84Å; W223-D229 HydrophobicContact CH2-CB 3.71Å; W223-D229 HydrophobicContact CZ2-CB 3.8Å; W223-W257 HydrophobicContact CH2-CH2 4.26Å; W223-W257 AromaticContact CH2-CZ2 3.56Å; W223-W257 HydrophobicContact CH2-CZ2 3.56Å; W223-W257 HydrophobicContact CZ3-CH2 4.15Å; W223-W257 AromaticContact CZ3-CZ2 3.63Å; W223-W257 HydrophobicContact CZ3-CZ2 3.63Å; W223-Y265 HydrophobicContact CE3-CD1 4.13Å; W223-Y265 HydrophobicContact CE3-CE1 4.24Å; W223-Y265 AromaticContact CH2-CD1 3.9Å; W223-Y265 HydrophobicContact CH2-CD1 3.9Å; W223-Y265 AromaticContact CH2-CE1 3.21Å; W223-Y265 HydrophobicContact CH2-CE1 3.21Å; W223-Y265 AromaticContact CH2-CZ 3.6Å; W223-Y265 HydrophobicContact CZ2-CE1 4.14Å; W223-Y265 AromaticContact CZ3-CD1 3.42Å; W223-Y265 HydrophobicContact CZ3-CD1 3.42Å; W223-Y265 VanDerWaalsContact CZ3-CD1 3.42Å; W223-Y265 AromaticContact CZ3-CE1 3.27Å; W223-Y265 HydrophobicContact CZ3-CE1 3.27Å; W223-Y265 HydrophobicContact CZ3-CG 4.15Å; W223-Y265 AromaticContact CZ3-CZ 3.9Å; W223-L275 HydrophobicContact CZ3-CD2 4.26Å
224	D	92.8	Very high	92.4	Very high	118 Å²	118	56.8 Å²	56.8	63%	0.631	33%	0.325	S	S	*	.			trans	-118	16.8	178.3	-63.4	-46.7	0	0	0	113	D222 R266	D222-D224 PolarHBondContact O-N 2.79Å; D224-R266 IonicContact OD2-CZ 3.97Å; D224-R266 IonicContact OD2-NH1 4Å; D224-R266 IonicContact OD2-NH2 3.01Å; D224-R266 PolarHBondContact OD2-NH2 3.26Å
225	W	92.1	Very high	92.5	Very high	66 Å²	66	57.6 Å²	57.6	25%	0.25	32%	0.323	C	S	.	.	S	Bend	trans	-103.7	24.3	-164.4	-53.3	98	0	0	0	114.8	W223 N227 Q228 W244 Y265 D274	W223-W225 HydrophobicContact CD2-CB 4.24Å; W223-W225 AromaticContact CE3-CD1 3.95Å; W223-W225 HydrophobicContact CH2-CB 4.23Å; W223-W225 HydrophobicContact CZ2-CB 3.76Å; W225-N227 PolarHBondContact O-N 2.83Å; W225-Q228 VanDerWaalsContact O-CG 3.26Å; W225-Q228 WeakPolarHBondContact O-CG 3.48Å; W225-Q228 PolarHBondContact O-N 2.85Å; W225-W244 HydrophobicContact CH2-CH2 4.42Å; W225-Y265 HydrophobicContact CB-CE1 3.99Å; W225-Y265 AromaticContact CD1-CD1 3.56Å; W225-Y265 AromaticContact CD1-CE1 3.86Å; W225-Y265 HydrophobicContact CD2-CD1 4.36Å; W225-Y265 HydrophobicContact CD2-CE1 4.38Å; W225-Y265 AromaticContact CG-CD1 3.93Å; W225-Y265 HydrophobicContact CG-CD1 3.93Å; W225-Y265 AromaticContact CG-CE1 3.81Å; W225-Y265 HydrophobicContact CG-CE1 3.81Å; W225-Y265 AromaticContact NE1-CD1 3.77Å; W225-D274 PolarHBondContact NE1-OD2 3.36Å
226	G	92.1	Very high	92.6	Very high	48 Å²	48	57.3 Å²	57.3	50%	0.495	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-134.9	-178.6	0	0	0	0	0	112.5	R219 W223	R219-G226 PolarHBondContact NH2-O 2.94Å; W223-G226 PolarHBondContact NE1-O 2.84Å
227	N	93.2	Very high	92.6	Very high	114 Å²	114	57.3 Å²	57.3	61%	0.61	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	34.6	178.8	-70.1	-28.3	0	0	0	112.7	R219 W225 D229 G230	R219-N227 PolarHBondContact NH2-OD1 3.13Å; W225-N227 PolarHBondContact O-N 2.83Å; N227-D229 PolarHBondContact O-N 3.4Å; N227-G230 PolarHBondContact O-N 2.94Å
228	Q	90.6	Very high	92.6	Very high	75 Å²	75	57.4 Å²	57.4	35%	0.35	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.2	176.3	-73.4	179.9	12	0	0	112.8	W225 G230 T261 N263	W225-Q228 VanDerWaalsContact O-CG 3.26Å; W225-Q228 WeakPolarHBondContact O-CG 3.48Å; W225-Q228 PolarHBondContact O-N 2.85Å; Q228-G230 PolarHBondContact O-N 3.13Å; Q228-T261 PolarHBondContact O-OG1 3.09Å; Q228-N263 PolarHBondContact OE1-ND2 3.03Å
229	D	91	Very high	92.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6.1	172.7	60.8	-14	0	0	0	114.6	R219 W223 N227 G231 K234 W257	R219-D229 IonicContact CZ-OD1 3.68Å; R219-D229 IonicContact CZ-OD2 3.25Å; R219-D229 VanDerWaalsContact CZ-OD2 3.25Å; R219-D229 IonicContact NE-OD1 3.91Å; R219-D229 IonicContact NE-OD2 2.7Å; R219-D229 PolarHBondContact NE-OD2 2.82Å; R219-D229 IonicContact NH2-OD1 2.7Å; R219-D229 PolarHBondContact NH2-OD1 3.24Å; R219-D229 IonicContact NH2-OD2 3Å; R219-D229 PolarHBondContact NH2-OD2 3.4Å; W223-D229 HydrophobicContact CH2-CB 3.71Å; W223-D229 HydrophobicContact CZ2-CB 3.8Å; N227-D229 PolarHBondContact O-N 3.4Å; D229-G231 PolarHBondContact OD1-N 2.7Å; D229-K234 WeakPolarHBondContact O-CB 3.4Å; D229-W257 HydrophobicContact CB-CD2 3.46Å; D229-W257 VanDerWaalsContact CB-CD2 3.46Å; D229-W257 HydrophobicContact CB-CE3 3.55Å; D229-W257 HydrophobicContact CB-CG 4.11Å; D229-W257 HydrophobicContact CB-CH2 3.84Å; D229-W257 HydrophobicContact CB-CZ2 3.73Å; D229-W257 HydrophobicContact CB-CZ3 3.75Å
230	G	87.9	Confident	92.4	Very high	34 Å²	34	59.7 Å²	59.7	35%	0.351	34%	0.341	S	S	.	.	S	Bend	trans	87.6	12.1	-174.3	0	0	0	0	0	114.2	N227 Q228 K234 N259	N227-G230 PolarHBondContact O-N 2.94Å; Q228-G230 PolarHBondContact O-N 3.13Å; G230-K234 WeakPolarHBondContact O-CG 3.22Å; G230-N259 WeakPolarHBondContact CA-ND2 3.4Å; G230-N259 PolarHBondContact N-ND2 3.35Å
231	G	87.2	Confident	92.3	Very high	12 Å²	12	61 Å²	61	12%	0.124	35%	0.345	C	S	.	.	S	Bend	trans	109.1	168.6	178.5	0	0	0	0	0	113.5	R219 D229 K234	R219-G231 VanDerWaalsContact NH2-C 3.26Å; D229-G231 PolarHBondContact OD1-N 2.7Å; G231-K234 WeakPolarHBondContact O-CB 3.49Å; G231-K234 VanDerWaalsContact O-CG 3.28Å; G231-K234 WeakPolarHBondContact O-CG 3.06Å; G231-K234 PolarHBondContact O-N 3.11Å
232	E	87.3	Confident	92.1	Very high	168 Å²	168	63.4 Å²	63.4	79%	0.785	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	138.4	-175.5	-169.3	173.3	-176.3	0	0	112.4	K234	E232-K234 PolarHBondContact O-N 3.45Å
233	G	85.7	Confident	91.6	Very high	54 Å²	54	63 Å²	63	56%	0.557	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-1.5	-179.4	0	0	0	0	0	115.3
234	K	93.3	Very high	90.8	Very high	103 Å²	103	65.2 Å²	65.2	45%	0.448	36%	0.356	S	S	.	.			trans	-70.4	138.6	172.9	-65.4	-57.6	-178.6	-177	0	111.1	D229 G230 G231 E232 W257	D229-K234 WeakPolarHBondContact O-CB 3.4Å; G230-K234 WeakPolarHBondContact O-CG 3.22Å; G231-K234 WeakPolarHBondContact O-CB 3.49Å; G231-K234 VanDerWaalsContact O-CG 3.28Å; G231-K234 WeakPolarHBondContact O-CG 3.06Å; G231-K234 PolarHBondContact O-N 3.11Å; E232-K234 PolarHBondContact O-N 3.45Å; K234-W257 WeakPolarHBondContact O-CZ3 3.33Å
235	V	95.1	Very high	89.8	Confident	54 Å²	54	65.8 Å²	65.8	33%	0.327	36%	0.359	S	S	.	.			trans	-95.4	136.7	-175.7	-177.1	0	0	0	0	109.8	K216 V217 V218 S258 V278	K216-V235 HydrophobicContact CB-CG1 3.82Å; K216-V235 HydrophobicContact CD-CG1 4.23Å; K216-V235 HydrophobicContact CG-CG1 4.14Å; V217-V235 CarbonylContact O-C 3.57Å; V217-V235 WeakPolarHBondContact O-CA 3.28Å; V218-V235 HydrophobicContact CG1-CG2 4.14Å; V235-S258 WeakPolarHBondContact O-CB 3.35Å; V235-S258 PolarHBondContact O-N 3.42Å; V235-S258 PolarHBondContact O-OG 2.95Å; V235-V278 HydrophobicContact CG1-CG2 4.42Å; V235-V278 HydrophobicContact CG2-CG2 4.24Å
236	G	95.6	Very high	88.5	Confident	4 Å²	4	69.3 Å²	69.3	4%	0.041	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	166.3	169.2	0	0	0	0	0	111.3	K216 V217 T256 W257	K216-G236 CarbonylContact C-O 3.52Å; K216-G236 VanDerWaalsContact CA-O 3.26Å; K216-G236 WeakPolarHBondContact CA-O 3.45Å; V217-G236 PolarHBondContact N-O 3.29Å; V217-G236 PolarHBondContact O-N 3.39Å; G236-T256 CarbonylContact C-O 3.52Å; G236-T256 VanDerWaalsContact CA-O 3.24Å; G236-T256 WeakPolarHBondContact CA-O 3.32Å; G236-W257 VanDerWaalsContact CA-CE3 3.4Å
237	K	96.2	Very high	87.3	Confident	120 Å²	120	73.3 Å²	73.3	52%	0.522	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.3	177.4	-173.8	179.8	178.8	-176.9	0	109.3	V215 V239 V255 T256	V215-K237 WeakPolarHBondContact O-CA 3.45Å; K237-V239 PolarHBondContact O-N 3.02Å; K237-V255 WeakPolarHBondContact O-CA 3.39Å; K237-T256 PolarHBondContact N-O 3.45Å; K237-T256 PolarHBondContact O-N 3.43Å
238	V	96.1	Very high	86.8	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.012	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.5	175.1	-179.4	0	0	0	0	109.2	I211 F212 G214 V215 V217 I241 A253 S254 V255	I211-V238 HydrophobicContact CG2-CG2 3.61Å; F212-V238 WeakPolarHBondContact O-CB 3.5Å; G214-V238 WeakPolarHBondContact CA-O 3.47Å; G214-V238 PolarHBondContact N-O 3.31Å; V215-V238 WeakPolarHBondContact O-CG2 3.49Å; V215-V238 PolarHBondContact O-N 2.86Å; V217-V238 HydrophobicContact CG1-CG2 3.71Å; V217-V238 HydrophobicContact CG2-CG2 4.1Å; V238-I241 HydrophobicContact CG1-CG1 4.16Å; V238-A253 HydrophobicContact CG1-CB 4.08Å; V238-S254 CarbonylContact C-O 3.49Å; V238-S254 WeakPolarHBondContact CA-O 3.44Å; V238-V255 HydrophobicContact CG2-CG2 4.21Å
239	V	94.4	Very high	86.6	Confident	65 Å²	65	65 Å²	65	39%	0.394	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-39.7	-179.5	-178.5	0	0	0	0	111.3	Q213 K237 S254 T256	Q213-V239 WeakPolarHBondContact CG-O 3.33Å; Q213-V239 PolarHBondContact NE2-O 3.15Å; K237-V239 PolarHBondContact O-N 3.02Å; V239-S254 PolarHBondContact N-O 3.07Å; V239-T256 WeakPolarHBondContact CG2-OG1 3.48Å
240	D	92.7	Very high	86.6	Confident	66 Å²	66	68.3 Å²	68.3	35%	0.353	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	154.6	-175.2	-176	33.3	0	0	0	111.1	A253 S254	D240-A253 WeakPolarHBondContact O-CA 3.38Å; D240-S254 PolarHBondContact O-N 3.13Å
241	I	92.3	Very high	86.9	Confident	41 Å²	41	66.7 Å²	66.7	21%	0.21	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.2	173.6	-64.6	179.6	0	0	0	108.7	I211 F212 V238 R250 V252 A253 M267	I211-I241 VanDerWaalsContact O-CD1 3.29Å; I211-I241 WeakPolarHBondContact O-CD1 3.03Å; F212-I241 HydrophobicContact CD1-CD1 4.29Å; V238-I241 HydrophobicContact CG1-CG1 4.16Å; I241-R250 HydrophobicContact CG2-CB 4.06Å; I241-R250 HydrophobicContact CG2-CG 4.42Å; I241-V252 WeakPolarHBondContact CA-O 3.47Å; I241-A253 HydrophobicContact CG1-CB 4.37Å; I241-M267 HydrophobicContact CD1-CE 4.42Å
242	R	88.7	Confident	87.2	Confident	124 Å²	124	66.2 Å²	66.2	47%	0.468	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	-179.9	-173.6	65.2	-173.3	-175.1	-172.8	4.5	112.3	R250 S251 V252	R242-R250 CarbonylContact O-C 3.51Å; R242-R250 WeakPolarHBondContact O-CA 3.46Å; R242-R250 PolarHBondContact O-N 2.95Å; R242-S251 PolarHBondContact O-N 3.29Å; R242-V252 HydrophobicContact CG-CG2 3.74Å; R242-V252 PolarHBondContact N-O 3.01Å; R242-V252 VanDerWaalsContact O-CG2 3.32Å; R242-V252 WeakPolarHBondContact O-CG2 3.19Å; R242-V252 PolarHBondContact O-N 3.36Å; R242-V252 VanDerWaalsContact O-N 3.13Å
243	G	84.4	Confident	87.6	Confident	25 Å²	25	58.2 Å²	58.2	26%	0.258	31%	0.306	S	S	.	.			trans	-78.9	155.2	174.1	0	0	0	0	0	113.2	D245 S248	G243-D245 PolarHBondContact O-N 3.23Å; G243-S248 CarbonylContact C-O 3.59Å; G243-S248 WeakPolarHBondContact CA-O 3.42Å
244	W	77.8	Confident	88.1	Confident	76 Å²	76	56.3 Å²	56.3	29%	0.288	28%	0.284	S	S	.	.	S	Bend	trans	-78.5	104	160.8	-166.9	-71.2	0	0	0	107.3	W225 E247 S248 S251 V252 R266 H269	W225-W244 HydrophobicContact CH2-CH2 4.42Å; W244-E247 PolarHBondContact O-N 2.79Å; W244-S248 WeakPolarHBondContact CB-OG 3.42Å; W244-S248 PolarHBondContact N-O 3.2Å; W244-S248 PolarHBondContact O-N 2.73Å; W244-S251 PolarHBondContact N-OG 2.87Å; W244-S251 VanDerWaalsContact N-OG 3.11Å; W244-V252 HydrophobicContact CB-CG1 4.32Å; W244-V252 HydrophobicContact CD2-CG1 4.29Å; W244-V252 HydrophobicContact CE3-CG1 3.32Å; W244-V252 HydrophobicContact CZ3-CG1 3.93Å; W244-R266 HydrophobicContact CE3-CG 4.27Å; W244-R266 HydrophobicContact CZ3-CG 3.84Å; W244-H269 WeakPolarHBondContact CB-ND1 3.49Å; W244-H269 AromaticContact CD1-CE1 3.76Å; W244-H269 AromaticContact CD2-CD2 3.88Å; W244-H269 AromaticContact CD2-NE2 3.93Å; W244-H269 HydrophobicContact CE3-CB 4.38Å; W244-H269 AromaticContact CE3-CD2 3.89Å; W244-H269 AromaticContact CG-CE1 3.56Å; W244-H269 AromaticContact CG-ND1 3.68Å; W244-H269 AromaticContact CG-NE2 3.87Å
245	D	72.2	Confident	88.2	Confident	131 Å²	131	51.4 Å²	51.4	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	-135.6	-176.3	-58.2	-39.4	0	0	0	113	G243	G243-D245 PolarHBondContact O-N 3.23Å
246	T	63.8	Low	88.3	Confident	140 Å²	140	51.2 Å²	51.2	86%	0.859	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.9	175.8	48.2	0	0	0	0	113.7
247	E	67.4	Low	88.3	Confident	132 Å²	132	51.2 Å²	51.2	62%	0.617	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-35.1	-170.3	-64.1	-174	168.3	0	0	114	G137 W244	G137-E247 WeakPolarHBondContact CA-O 3.3Å; W244-E247 PolarHBondContact O-N 2.79Å
248	S	83.9	Confident	88	Confident	11 Å²	11	49.7 Å²	49.7	8%	0.077	27%	0.265	C	S	.	.			trans	-142.6	149.1	-175.3	58	0	0	0	0	112	Q135 G243 W244 S251 H269	Q135-S248 VanDerWaalsContact O-CB 3.3Å; Q135-S248 WeakPolarHBondContact O-CB 3.35Å; G243-S248 CarbonylContact C-O 3.59Å; G243-S248 WeakPolarHBondContact CA-O 3.42Å; W244-S248 WeakPolarHBondContact CB-OG 3.42Å; W244-S248 PolarHBondContact N-O 3.2Å; W244-S248 PolarHBondContact O-N 2.73Å; S248-S251 WeakPolarHBondContact OG-CB 3.03Å; S248-S251 PolarHBondContact OG-OG 3.41Å; S248-H269 PolarHBondContact OG-ND1 3.09Å
249	G	85.1	Confident	87.7	Confident	2 Å²	2	53.5 Å²	53.5	2%	0.021	29%	0.285	C	S	.	.	S	Bend	trans	-103.7	141.9	178.2	0	0	0	0	0	112.6	A134 Q135 S251	A134-G249 CarbonylContact C-O 3.49Å; A134-G249 WeakPolarHBondContact CB-O 3.24Å; A134-G249 PolarHBondContact O-N 3.34Å; Q135-G249 WeakPolarHBondContact CA-O 3.26Å; Q135-G249 PolarHBondContact N-O 2.85Å; G249-S251 PolarHBondContact O-N 3.22Å; G249-S251 VanDerWaalsContact O-N 3.13Å
250	R	92.1	Very high	87.3	Confident	71 Å²	71	53 Å²	53	27%	0.268	29%	0.294	S	S	.	.	S	Bend	trans	50.6	37.2	174.9	-60.9	177.3	-66.2	-87.5	8.6	113.9	D132 Q135 M154 I241 R242	D132-R250 VanDerWaalsContact CG-NH2 3.34Å; D132-R250 IonicContact OD1-CZ 3.47Å; D132-R250 IonicContact OD1-NE 2.72Å; D132-R250 IonicContact OD1-NH2 3.01Å; D132-R250 PolarHBondContact OD1-NH2 3.11Å; D132-R250 IonicContact OD2-CZ 3.69Å; D132-R250 IonicContact OD2-NE 3.31Å; D132-R250 PolarHBondContact OD2-NE 3.39Å; D132-R250 IonicContact OD2-NH2 3.31Å; D132-R250 PolarHBondContact OD2-NH2 2.84Å; D132-R250 VanDerWaalsContact OD2-NH2 3.13Å; Q135-R250 WeakPolarHBondContact CG-O 3.47Å; Q135-R250 PolarHBondContact NE2-O 3.25Å; M154-R250 PolarHBondContact O-NH1 3.41Å; M154-R250 PolarHBondContact O-NH2 3.23Å; I241-R250 HydrophobicContact CG2-CB 4.06Å; I241-R250 HydrophobicContact CG2-CG 4.42Å; R242-R250 CarbonylContact O-C 3.51Å; R242-R250 WeakPolarHBondContact O-CA 3.46Å; R242-R250 PolarHBondContact O-N 2.95Å
251	S	93.3	Very high	87.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.			trans	-104.8	-1.6	-173.2	59.6	0	0	0	0	113.7	R242 W244 S248 G249 M267 H269	R242-S251 PolarHBondContact O-N 3.29Å; W244-S251 PolarHBondContact N-OG 2.87Å; W244-S251 VanDerWaalsContact N-OG 3.11Å; S248-S251 WeakPolarHBondContact OG-CB 3.03Å; S248-S251 PolarHBondContact OG-OG 3.41Å; G249-S251 PolarHBondContact O-N 3.22Å; G249-S251 VanDerWaalsContact O-N 3.13Å; S251-M267 CarbonylContact C-O 3.57Å; S251-M267 CarbonylContact O-C 3.57Å; S251-M267 VanDerWaalsContact O-C 3.27Å; S251-M267 WeakPolarHBondContact O-CA 3.36Å; S251-M267 PolarHBondContact O-N 3.17Å; S251-H269 PolarHBondContact O-N 3.5Å
252	V	93.9	Very high	87.2	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.1	176.5	-64.5	0	0	0	0	112.8	I241 R242 W244 V264 Y265	I241-V252 WeakPolarHBondContact CA-O 3.47Å; R242-V252 HydrophobicContact CG-CG2 3.74Å; R242-V252 PolarHBondContact N-O 3.01Å; R242-V252 VanDerWaalsContact O-CG2 3.32Å; R242-V252 WeakPolarHBondContact O-CG2 3.19Å; R242-V252 PolarHBondContact O-N 3.36Å; R242-V252 VanDerWaalsContact O-N 3.13Å; W244-V252 HydrophobicContact CB-CG1 4.32Å; W244-V252 HydrophobicContact CD2-CG1 4.29Å; W244-V252 HydrophobicContact CE3-CG1 3.32Å; W244-V252 HydrophobicContact CZ3-CG1 3.93Å; V252-V264 HydrophobicContact CB-CG1 3.53Å; V252-V264 HydrophobicContact CG1-CG1 4.02Å; V252-V264 HydrophobicContact CG2-CG1 3.55Å; V252-Y265 CarbonylContact C-O 3.56Å; V252-Y265 VanDerWaalsContact CA-O 3.22Å; V252-Y265 WeakPolarHBondContact CA-O 3.35Å; V252-Y265 WeakPolarHBondContact CB-O 3.36Å
253	A	95	Very high	87.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134	170.9	0	0	0	0	0	111.3	V238 D240 I241 V255 V264 Y265 M267 L275	V238-A253 HydrophobicContact CG1-CB 4.08Å; D240-A253 WeakPolarHBondContact O-CA 3.38Å; I241-A253 HydrophobicContact CG1-CB 4.37Å; A253-V255 HydrophobicContact CB-CG2 4.4Å; A253-V264 WeakPolarHBondContact O-CA 3.2Å; A253-Y265 PolarHBondContact N-O 3.39Å; A253-Y265 PolarHBondContact O-N 3.48Å; A253-M267 HydrophobicContact CB-CE 3.61Å; A253-L275 HydrophobicContact CB-CD1 3.83Å
254	S	96.1	Very high	88	Confident	14 Å²	14	51.5 Å²	51.5	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.6	165.3	-173.9	0	0	0	0	108.9	V238 V239 D240 N263	V238-S254 CarbonylContact C-O 3.49Å; V238-S254 WeakPolarHBondContact CA-O 3.44Å; V239-S254 PolarHBondContact N-O 3.07Å; D240-S254 PolarHBondContact O-N 3.13Å; S254-N263 CarbonylContact C-O 3.52Å; S254-N263 WeakPolarHBondContact CA-O 3.4Å
255	V	96.7	Very high	88.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.8	-176.4	-179	0	0	0	0	110	V217 K237 V238 A253 W257 T262 N263 Y265 L275	V217-V255 HydrophobicContact CG2-CB 4.48Å; V217-V255 HydrophobicContact CG2-CG1 3.64Å; V217-V255 HydrophobicContact CG2-CG2 3.92Å; K237-V255 WeakPolarHBondContact O-CA 3.39Å; V238-V255 HydrophobicContact CG2-CG2 4.21Å; A253-V255 HydrophobicContact CB-CG2 4.4Å; V255-W257 HydrophobicContact CB-CZ2 4.42Å; V255-W257 HydrophobicContact CG1-CD2 4.06Å; V255-W257 HydrophobicContact CG1-CE3 4.43Å; V255-W257 HydrophobicContact CG1-CH2 4.28Å; V255-W257 HydrophobicContact CG1-CZ2 3.91Å; V255-T262 VanDerWaalsContact O-CA 3.29Å; V255-T262 WeakPolarHBondContact O-CA 3.11Å; V255-N263 PolarHBondContact N-O 3.05Å; V255-N263 PolarHBondContact O-N 3.44Å; V255-Y265 HydrophobicContact CB-CD2 3.89Å; V255-Y265 HydrophobicContact CB-CE2 3.93Å; V255-Y265 HydrophobicContact CG2-CD2 3.9Å; V255-Y265 HydrophobicContact CG2-CE2 4.44Å; V255-L275 HydrophobicContact CG2-CD1 3.57Å; V255-L275 HydrophobicContact CG2-CD2 4.22Å
256	T	96.5	Very high	89.9	Confident	49 Å²	49	43.6 Å²	43.6	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117	168.7	-58.6	0	0	0	0	109.4	G236 K237 V239 T261 T262	G236-T256 CarbonylContact C-O 3.52Å; G236-T256 VanDerWaalsContact CA-O 3.24Å; G236-T256 WeakPolarHBondContact CA-O 3.32Å; K237-T256 PolarHBondContact N-O 3.45Å; K237-T256 PolarHBondContact O-N 3.43Å; V239-T256 WeakPolarHBondContact CG2-OG1 3.48Å; T256-T261 CarbonylContact C-O 3.59Å; T256-T261 WeakPolarHBondContact CA-O 3.4Å; T256-T262 PolarHBondContact OG1-OG1 3.46Å
257	W	95.3	Very high	91.2	Very high	5 Å²	5	37.1 Å²	37.1	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	159.6	-178.9	-62.7	104.6	0	0	0	112.3	V217 W223 D229 K234 G236 V255 N259 G260 T261 Y265 L275	V217-W257 HydrophobicContact CG2-CH2 4.43Å; W223-W257 HydrophobicContact CH2-CH2 4.26Å; W223-W257 AromaticContact CH2-CZ2 3.56Å; W223-W257 HydrophobicContact CH2-CZ2 3.56Å; W223-W257 HydrophobicContact CZ3-CH2 4.15Å; W223-W257 AromaticContact CZ3-CZ2 3.63Å; W223-W257 HydrophobicContact CZ3-CZ2 3.63Å; D229-W257 HydrophobicContact CB-CD2 3.46Å; D229-W257 VanDerWaalsContact CB-CD2 3.46Å; D229-W257 HydrophobicContact CB-CE3 3.55Å; D229-W257 HydrophobicContact CB-CG 4.11Å; D229-W257 HydrophobicContact CB-CH2 3.84Å; D229-W257 HydrophobicContact CB-CZ2 3.73Å; D229-W257 HydrophobicContact CB-CZ3 3.75Å; K234-W257 WeakPolarHBondContact O-CZ3 3.33Å; G236-W257 VanDerWaalsContact CA-CE3 3.4Å; V255-W257 HydrophobicContact CB-CZ2 4.42Å; V255-W257 HydrophobicContact CG1-CD2 4.06Å; V255-W257 HydrophobicContact CG1-CE3 4.43Å; V255-W257 HydrophobicContact CG1-CH2 4.28Å; V255-W257 HydrophobicContact CG1-CZ2 3.91Å; W257-N259 VanDerWaalsContact CB-OD1 3.24Å; W257-N259 WeakPolarHBondContact CB-OD1 3.39Å; W257-N259 PolarHBondContact O-N 3.18Å; W257-N259 VanDerWaalsContact O-N 3.13Å; W257-G260 PolarHBondContact O-N 3.43Å; W257-T261 PolarHBondContact N-O 3.25Å; W257-Y265 AromaticContact CE2-CE2 3.9Å; W257-Y265 HydrophobicContact CZ2-CD2 4.4Å; W257-Y265 AromaticContact CZ2-CE2 3.9Å; W257-Y265 HydrophobicContact CZ2-CE2 3.9Å; W257-Y265 AromaticContact NE1-CE2 3.32Å; W257-Y265 VanDerWaalsContact NE1-CE2 3.32Å; W257-Y265 AromaticContact NE1-CZ 3.32Å; W257-Y265 VanDerWaalsContact NE1-CZ 3.32Å; W257-Y265 PolarHBondContact NE1-OH 3.23Å; W257-L275 HydrophobicContact CH2-CD2 4.07Å; W257-L275 HydrophobicContact CZ2-CD2 4.06Å
258	S	90.9	Very high	92.2	Very high	87 Å²	87	30.8 Å²	30.8	61%	0.608	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.5	178.7	53	0	0	0	0	115	V235 G260	V235-S258 WeakPolarHBondContact O-CB 3.35Å; V235-S258 PolarHBondContact O-N 3.42Å; V235-S258 PolarHBondContact O-OG 2.95Å; S258-G260 VanDerWaalsContact C-N 3.27Å
259	N	88.1	Confident	92.5	Very high	82 Å²	82	30.9 Å²	30.9	44%	0.439	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.2	173.1	65.3	-0.8	0	0	0	113.4	G230 W257 T261	G230-N259 WeakPolarHBondContact CA-ND2 3.4Å; G230-N259 PolarHBondContact N-ND2 3.35Å; W257-N259 VanDerWaalsContact CB-OD1 3.24Å; W257-N259 WeakPolarHBondContact CB-OD1 3.39Å; W257-N259 PolarHBondContact O-N 3.18Å; W257-N259 VanDerWaalsContact O-N 3.13Å; N259-T261 PolarHBondContact OD1-N 2.84Å; N259-T261 PolarHBondContact OD1-OG1 3.14Å
260	G	88	Confident	92.5	Very high	56 Å²	56	38.5 Å²	38.5	58%	0.577	22%	0.218	S	C	*	.	S	Bend	trans	89.6	-5.4	-179.2	0	0	0	0	0	115.3	W257 S258	W257-G260 PolarHBondContact O-N 3.43Å; S258-G260 VanDerWaalsContact C-N 3.27Å
261	T	89.7	Confident	92.4	Very high	58 Å²	58	35.3 Å²	35.3	36%	0.356	21%	0.207	S	C	.	.			trans	-73.8	140.1	177.7	63.3	0	0	0	0	110.5	Q228 T256 W257 N259	Q228-T261 PolarHBondContact O-OG1 3.09Å; T256-T261 CarbonylContact C-O 3.59Å; T256-T261 WeakPolarHBondContact CA-O 3.4Å; W257-T261 PolarHBondContact N-O 3.25Å; N259-T261 PolarHBondContact OD1-N 2.84Å; N259-T261 PolarHBondContact OD1-OG1 3.14Å
262	T	92.9	Very high	92.4	Very high	77 Å²	77	38.9 Å²	38.9	47%	0.472	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.7	174.4	-57.2	0	0	0	0	109.2	V255 T256	V255-T262 VanDerWaalsContact O-CA 3.29Å; V255-T262 WeakPolarHBondContact O-CA 3.11Å; T256-T262 PolarHBondContact OG1-OG1 3.46Å
263	N	94.6	Very high	92.5	Very high	60 Å²	60	38.9 Å²	38.9	32%	0.321	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	175.7	173.3	-152.5	-5.2	0	0	0	111.9	Q228 S254 V255 Y265	Q228-N263 PolarHBondContact OE1-ND2 3.03Å; S254-N263 CarbonylContact C-O 3.52Å; S254-N263 WeakPolarHBondContact CA-O 3.4Å; V255-N263 PolarHBondContact N-O 3.05Å; V255-N263 PolarHBondContact O-N 3.44Å; N263-Y265 HydrophobicContact CB-CE2 3.89Å; N263-Y265 WeakPolarHBondContact CB-OH 3.21Å; N263-Y265 WeakPolarHBondContact O-CD2 3.26Å; N263-Y265 WeakPolarHBondContact O-CE2 3.5Å
264	V	93.8	Very high	92.6	Very high	28 Å²	28	38.9 Å²	38.9	17%	0.17	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.7	-175.6	-175.3	0	0	0	0	110.5	V252 A253	V252-V264 HydrophobicContact CB-CG1 3.53Å; V252-V264 HydrophobicContact CG1-CG1 4.02Å; V252-V264 HydrophobicContact CG2-CG1 3.55Å; A253-V264 WeakPolarHBondContact O-CA 3.2Å
265	Y	95.4	Very high	92.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.8	-174.2	-57.3	-79.8	0	0	0	111.6	W223 W225 V252 A253 V255 W257 N263 L275	W223-Y265 HydrophobicContact CE3-CD1 4.13Å; W223-Y265 HydrophobicContact CE3-CE1 4.24Å; W223-Y265 AromaticContact CH2-CD1 3.9Å; W223-Y265 HydrophobicContact CH2-CD1 3.9Å; W223-Y265 AromaticContact CH2-CE1 3.21Å; W223-Y265 HydrophobicContact CH2-CE1 3.21Å; W223-Y265 AromaticContact CH2-CZ 3.6Å; W223-Y265 HydrophobicContact CZ2-CE1 4.14Å; W223-Y265 AromaticContact CZ3-CD1 3.42Å; W223-Y265 HydrophobicContact CZ3-CD1 3.42Å; W223-Y265 VanDerWaalsContact CZ3-CD1 3.42Å; W223-Y265 AromaticContact CZ3-CE1 3.27Å; W223-Y265 HydrophobicContact CZ3-CE1 3.27Å; W223-Y265 HydrophobicContact CZ3-CG 4.15Å; W223-Y265 AromaticContact CZ3-CZ 3.9Å; W225-Y265 HydrophobicContact CB-CE1 3.99Å; W225-Y265 AromaticContact CD1-CD1 3.56Å; W225-Y265 AromaticContact CD1-CE1 3.86Å; W225-Y265 HydrophobicContact CD2-CD1 4.36Å; W225-Y265 HydrophobicContact CD2-CE1 4.38Å; W225-Y265 AromaticContact CG-CD1 3.93Å; W225-Y265 HydrophobicContact CG-CD1 3.93Å; W225-Y265 AromaticContact CG-CE1 3.81Å; W225-Y265 HydrophobicContact CG-CE1 3.81Å; W225-Y265 AromaticContact NE1-CD1 3.77Å; V252-Y265 CarbonylContact C-O 3.56Å; V252-Y265 VanDerWaalsContact CA-O 3.22Å; V252-Y265 WeakPolarHBondContact CA-O 3.35Å; V252-Y265 WeakPolarHBondContact CB-O 3.36Å; A253-Y265 PolarHBondContact N-O 3.39Å; A253-Y265 PolarHBondContact O-N 3.48Å; V255-Y265 HydrophobicContact CB-CD2 3.89Å; V255-Y265 HydrophobicContact CB-CE2 3.93Å; V255-Y265 HydrophobicContact CG2-CD2 3.9Å; V255-Y265 HydrophobicContact CG2-CE2 4.44Å; W257-Y265 AromaticContact CE2-CE2 3.9Å; W257-Y265 HydrophobicContact CZ2-CD2 4.4Å; W257-Y265 AromaticContact CZ2-CE2 3.9Å; W257-Y265 HydrophobicContact CZ2-CE2 3.9Å; W257-Y265 AromaticContact NE1-CE2 3.32Å; W257-Y265 VanDerWaalsContact NE1-CE2 3.32Å; W257-Y265 AromaticContact NE1-CZ 3.32Å; W257-Y265 VanDerWaalsContact NE1-CZ 3.32Å; W257-Y265 PolarHBondContact NE1-OH 3.23Å; N263-Y265 HydrophobicContact CB-CE2 3.89Å; N263-Y265 WeakPolarHBondContact CB-OH 3.21Å; N263-Y265 WeakPolarHBondContact O-CD2 3.26Å; N263-Y265 WeakPolarHBondContact O-CE2 3.5Å; Y265-L275 HydrophobicContact CD2-CD2 4.17Å; Y265-L275 HydrophobicContact CG-CD2 4.02Å; Y265-L275 HydrophobicContact CG-CG 4.42Å
266	R	94.6	Very high	92.6	Very high	41 Å²	41	42.3 Å²	42.3	16%	0.155	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.2	-173.9	-58.4	169.1	-64.8	-166.9	2.6	111.8	D222 D224 W244 H269 K272 D274	D222-R266 PolarHBondContact O-NH2 2.84Å; D224-R266 IonicContact OD2-CZ 3.97Å; D224-R266 IonicContact OD2-NH1 4Å; D224-R266 IonicContact OD2-NH2 3.01Å; D224-R266 PolarHBondContact OD2-NH2 3.26Å; W244-R266 HydrophobicContact CE3-CG 4.27Å; W244-R266 HydrophobicContact CZ3-CG 3.84Å; R266-H269 HydrophobicContact CB-CB 4.46Å; R266-H269 HydrophobicContact CG-CB 4.38Å; R266-K272 HydrophobicContact CB-CB 4.11Å; R266-D274 WeakPolarHBondContact CB-OD2 3.37Å; R266-D274 VanDerWaalsContact CG-OD2 3.3Å; R266-D274 WeakPolarHBondContact CG-OD2 3.46Å; R266-D274 IonicContact CZ-OD1 3.28Å; R266-D274 VanDerWaalsContact CZ-OD1 3.28Å; R266-D274 IonicContact CZ-OD2 3.71Å; R266-D274 PolarHBondContact N-OD2 2.89Å; R266-D274 VanDerWaalsContact NE-CG 3.32Å; R266-D274 IonicContact NE-OD1 2.82Å; R266-D274 PolarHBondContact NE-OD1 3.39Å; R266-D274 IonicContact NE-OD2 3.91Å; R266-D274 PolarHBondContact NE-OD2 3.4Å; R266-D274 IonicContact NH2-OD1 2.8Å; R266-D274 PolarHBondContact NH2-OD1 3.5Å; R266-D274 IonicContact NH2-OD2 3.72Å; R266-D274 PolarHBondContact O-N 3.21Å
267	M	92	Very high	92.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.02	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-140	72.2	174.2	-172.1	-165.2	-57.7	0	0	109	I211 I241 S251 A253	I211-M267 HydrophobicContact CB-CE 3.5Å; I211-M267 HydrophobicContact CB-SD 4.19Å; I211-M267 HydrophobicContact CD1-CE 4.31Å; I211-M267 HydrophobicContact CG2-CE 3.24Å; I241-M267 HydrophobicContact CD1-CE 4.42Å; S251-M267 CarbonylContact C-O 3.57Å; S251-M267 CarbonylContact O-C 3.57Å; S251-M267 VanDerWaalsContact O-C 3.27Å; S251-M267 WeakPolarHBondContact O-CA 3.36Å; S251-M267 PolarHBondContact O-N 3.17Å; A253-M267 HydrophobicContact CB-CE 3.61Å
268	G	89	Confident	92.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	102.7	-16.8	-178.3	0	0	0	0	0	114.8	G66 K270 G271 K272	G66-G268 WeakPolarHBondContact CA-O 3.26Å; G268-K270 PolarHBondContact O-N 2.9Å; G268-K270 VanDerWaalsContact O-N 3.13Å; G268-G271 PolarHBondContact O-N 3.2Å; G268-K272 PolarHBondContact N-O 3.2Å
269	H	89.3	Confident	92.1	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.056	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-57.9	121.3	172.6	-176.1	74.5	0	0	0	110.6	W244 S248 S251 R266 G271 K272	W244-H269 WeakPolarHBondContact CB-ND1 3.49Å; W244-H269 AromaticContact CD1-CE1 3.76Å; W244-H269 AromaticContact CD2-CD2 3.88Å; W244-H269 AromaticContact CD2-NE2 3.93Å; W244-H269 HydrophobicContact CE3-CB 4.38Å; W244-H269 AromaticContact CE3-CD2 3.89Å; W244-H269 AromaticContact CG-CE1 3.56Å; W244-H269 AromaticContact CG-ND1 3.68Å; W244-H269 AromaticContact CG-NE2 3.87Å; S248-H269 PolarHBondContact OG-ND1 3.09Å; S251-H269 PolarHBondContact O-N 3.5Å; R266-H269 HydrophobicContact CB-CB 4.46Å; R266-H269 HydrophobicContact CG-CB 4.38Å; H269-G271 PolarHBondContact O-N 2.96Å; H269-G271 VanDerWaalsContact O-N 3.14Å; H269-K272 PolarHBondContact O-N 3.15Å; H269-K272 VanDerWaalsContact O-N 3.09Å
270	K	86.1	Confident	91.7	Very high	163 Å²	163	42.2 Å²	42.2	71%	0.709	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	53.3	27.7	-173.8	-63.6	175.8	-179.4	171.7	0	113.8	G268 K272	G268-K270 PolarHBondContact O-N 2.9Å; G268-K270 VanDerWaalsContact O-N 3.13Å; K270-K272 VanDerWaalsContact C-N 3.32Å; K270-K272 PolarHBondContact O-N 3.32Å
271	G	89.2	Confident	91.7	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	71	21.6	-178.5	0	0	0	0	0	114.7	V91 G268 H269	V91-G271 WeakPolarHBondContact CG1-O 3.29Å; G268-G271 PolarHBondContact O-N 3.2Å; H269-G271 PolarHBondContact O-N 2.96Å; H269-G271 VanDerWaalsContact O-N 3.14Å
272	K	93.9	Very high	91.7	Very high	75 Å²	75	43.8 Å²	43.8	33%	0.326	23%	0.227	S	C	.	.			trans	-102.2	141.7	179.4	-66.5	-58.8	-160.4	172.2	0	112.6	D222 R266 G268 H269 K270	D222-K272 HydrophobicContact CB-CB 4.3Å; D222-K272 HydrophobicContact CB-CD 3.95Å; D222-K272 VanDerWaalsContact CG-CD 3.46Å; D222-K272 WeakPolarHBondContact OD1-CD 3.28Å; D222-K272 IonicContact OD1-NZ 2.76Å; D222-K272 PolarHBondContact OD1-NZ 3.23Å; D222-K272 WeakPolarHBondContact OD2-CA 3.4Å; R266-K272 HydrophobicContact CB-CB 4.11Å; G268-K272 PolarHBondContact N-O 3.2Å; H269-K272 PolarHBondContact O-N 3.15Å; H269-K272 VanDerWaalsContact O-N 3.09Å; K270-K272 VanDerWaalsContact C-N 3.32Å; K270-K272 PolarHBondContact O-N 3.32Å
273	V	96.1	Very high	91.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-128.7	95.8	179.5	-173.9	0	0	0	0	109.8	T89 V91 Q109 P221 D222 L275	T89-V273 HydrophobicContact CG2-CG2 3.85Å; V91-V273 HydrophobicContact CG1-CG2 4.22Å; Q109-V273 HydrophobicContact CB-CG2 4Å; Q109-V273 HydrophobicContact CG-CB 3.78Å; Q109-V273 HydrophobicContact CG-CG1 4.1Å; Q109-V273 HydrophobicContact CG-CG2 3.8Å; P221-V273 WeakPolarHBondContact CD-O 3.41Å; D222-V273 WeakPolarHBondContact CB-O 3.35Å; D222-V273 PolarHBondContact N-O 3.32Å; D222-V273 PolarHBondContact OD2-N 3.05Å; V273-L275 VanDerWaalsContact C-N 3.31Å; V273-L275 VanDerWaalsContact CG1-O 3.32Å; V273-L275 WeakPolarHBondContact CG1-O 3.43Å
274	D	96.6	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.			trans	-84.5	-6.7	-175.7	-62.9	-15.6	0	0	0	112.6	G220 W225 R266	G220-D274 WeakPolarHBondContact CA-O 3.12Å; G220-D274 PolarHBondContact N-O 2.81Å; W225-D274 PolarHBondContact NE1-OD2 3.36Å; R266-D274 WeakPolarHBondContact CB-OD2 3.37Å; R266-D274 VanDerWaalsContact CG-OD2 3.3Å; R266-D274 WeakPolarHBondContact CG-OD2 3.46Å; R266-D274 IonicContact CZ-OD1 3.28Å; R266-D274 VanDerWaalsContact CZ-OD1 3.28Å; R266-D274 IonicContact CZ-OD2 3.71Å; R266-D274 PolarHBondContact N-OD2 2.89Å; R266-D274 VanDerWaalsContact NE-CG 3.32Å; R266-D274 IonicContact NE-OD1 2.82Å; R266-D274 PolarHBondContact NE-OD1 3.39Å; R266-D274 IonicContact NE-OD2 3.91Å; R266-D274 PolarHBondContact NE-OD2 3.4Å; R266-D274 IonicContact NH2-OD1 2.8Å; R266-D274 PolarHBondContact NH2-OD1 3.5Å; R266-D274 IonicContact NH2-OD2 3.72Å; R266-D274 PolarHBondContact O-N 3.21Å
275	L	96.1	Very high	91.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.8	-173	-61.2	175.5	0	0	0	111.4	I211 V217 W223 A253 V255 W257 Y265 V273	I211-L275 HydrophobicContact CD1-CB 3.93Å; I211-L275 WeakPolarHBondContact CD1-O 3.36Å; V217-L275 HydrophobicContact CG2-CD1 4.48Å; V217-L275 HydrophobicContact CG2-CD2 4.21Å; W223-L275 HydrophobicContact CZ3-CD2 4.26Å; A253-L275 HydrophobicContact CB-CD1 3.83Å; V255-L275 HydrophobicContact CG2-CD1 3.57Å; V255-L275 HydrophobicContact CG2-CD2 4.22Å; W257-L275 HydrophobicContact CH2-CD2 4.07Å; W257-L275 HydrophobicContact CZ2-CD2 4.06Å; Y265-L275 HydrophobicContact CD2-CD2 4.17Å; Y265-L275 HydrophobicContact CG-CD2 4.02Å; Y265-L275 HydrophobicContact CG-CG 4.42Å; V273-L275 VanDerWaalsContact C-N 3.31Å; V273-L275 VanDerWaalsContact CG1-O 3.32Å; V273-L275 WeakPolarHBondContact CG1-O 3.43Å
276	K	95.7	Very high	91.3	Very high	84 Å²	84	40.4 Å²	40.4	37%	0.365	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.5	169.2	161	-179.7	171.8	147.9	0	108.8	D111 S112 V217 V218	D111-K276 WeakPolarHBondContact O-CA 3.21Å; S112-K276 WeakPolarHBondContact O-CD 3.5Å; S112-K276 WeakPolarHBondContact O-CE 3.38Å; S112-K276 PolarHBondContact O-NZ 3.23Å; V217-K276 CarbonylContact C-O 3.58Å; V217-K276 WeakPolarHBondContact CA-O 3.31Å; V217-K276 WeakPolarHBondContact CB-O 3.17Å; V218-K276 HydrophobicContact CG2-CB 4.24Å; V218-K276 HydrophobicContact CG2-CD 4.5Å; V218-K276 HydrophobicContact CG2-CG 4.29Å; V218-K276 PolarHBondContact N-O 2.96Å; V218-K276 PolarHBondContact O-N 2.98Å
277	Y	95.4	Very high	91.4	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	151.5	173.8	66.1	-109.8	0	0	0	112.6	D82 H86 D111 S112 I211 K216 S279 D280	D82-Y277 PolarHBondContact OD2-OH 3.39Å; H86-Y277 PolarHBondContact CD2-OH 3.48Å; D111-Y277 VanDerWaalsContact C-CE1 3.44Å; D111-Y277 HydrophobicContact CB-CD1 3.73Å; D111-Y277 HydrophobicContact CB-CE1 3.69Å; D111-Y277 VanDerWaalsContact O-CD1 3.29Å; D111-Y277 WeakPolarHBondContact O-CD1 3.43Å; D111-Y277 PolarHBondContact O-N 3.2Å; S112-Y277 WeakPolarHBondContact CB-OH 3.35Å; S112-Y277 VanDerWaalsContact N-CE1 3.35Å; I211-Y277 HydrophobicContact CG1-CD1 4.16Å; K216-Y277 WeakPolarHBondContact O-CA 3.21Å; Y277-S279 VanDerWaalsContact CD2-C 3.44Å; Y277-D280 HydrophobicContact CE2-CB 4.11Å
278	V	92.7	Very high	91.6	Very high	88 Å²	88	40.6 Å²	40.6	53%	0.533	21%	0.212	S	C	.	.	S	Bend	trans	-88.4	-39.2	169.2	-178.3	0	0	0	0	110.6	K216 V218 V235	K216-V278 HydrophobicContact CB-CB 4.49Å; K216-V278 PolarHBondContact O-N 3.48Å; V218-V278 HydrophobicContact CG1-CG2 3.61Å; V218-V278 HydrophobicContact CG2-CG2 4.42Å; V235-V278 HydrophobicContact CG1-CG2 4.42Å; V235-V278 HydrophobicContact CG2-CG2 4.24Å
279	S	85.9	Confident	91.7	Very high	60 Å²	60	45.3 Å²	45.3	42%	0.42	24%	0.238	S	C	.	.	S	Bend	trans	-135	138	173.9	58.7	0	0	0	0	107.9	V215 Y277	V215-S279 WeakPolarHBondContact CG1-O 3.48Å; Y277-S279 VanDerWaalsContact CD2-C 3.44Å
280	D	79.1	Confident	92	Very high	61 Å²	61	44.9 Å²	44.9	33%	0.326	24%	0.236	S	C	.	.			trans	-61.5	153.1	176.1	65.1	-47.7	0	0	0	111.1	H86 K209 Y277	H86-D280 IonicContact NE2-OD2 2.74Å; K209-D280 HydrophobicContact CB-CB 4.42Å; K209-D280 VanDerWaalsContact CD-OD2 3.32Å; K209-D280 WeakPolarHBondContact CD-OD2 3.31Å; K209-D280 WeakPolarHBondContact CE-OD2 3.2Å; K209-D280 IonicContact NZ-OD2 3.68Å; K209-D280 PolarHBondContact NZ-OD2 3.44Å; Y277-D280 HydrophobicContact CE2-CB 4.11Å
281	G	86.7	Confident	92.5	Very high	16 Å²	16	37.5 Å²	37.5	17%	0.165	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158	168.7	0	0	0	0	0	111.7	K209 G210 F212	K209-G281 VanDerWaalsContact CA-O 3.29Å; K209-G281 WeakPolarHBondContact CA-O 3.29Å; G210-G281 PolarHBondContact N-O 2.82Å; G210-G281 VanDerWaalsContact N-O 3.11Å; G210-G281 PolarHBondContact O-N 3.09Å; F212-G281 WeakPolarHBondContact CD2-O 3.31Å
282	Q	90.2	Very high	92.7	Very high	132 Å²	132	37.6 Å²	37.6	62%	0.617	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.7	-176.2	-58.7	-174.1	5.2	0	0	110.9	I207 L208	I207-Q282 HydrophobicContact CG2-CB 4.13Å; I207-Q282 HydrophobicContact CG2-CG 3.68Å; L208-Q282 CarbonylContact O-C 3.34Å; L208-Q282 WeakPolarHBondContact O-CA 3.49Å
283	G	85.6	Confident	92.7	Very high	20 Å²	20	37 Å²	37	21%	0.206	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	6.6	178.8	0	0	0	0	0	114.7	L208	L208-G283 PolarHBondContact O-N 3.05Å
284	G	91.8	Very high	92.4	Very high	17 Å²	17	37.1 Å²	37.1	18%	0.175	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.9	-144.4	-172.5	0	0	0	0	0	111.3	L208	L208-G284 PolarHBondContact N-O 2.97Å
285	F	95.2	Very high	91.6	Very high	57 Å²	57	37.8 Å²	37.8	25%	0.25	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	170.3	-175.2	-60.8	-91.2	0	0	0	111	M174 R205 I206 I207	M174-F285 WeakPolarHBondContact CB-O 3.29Å; R205-F285 HydrophobicContact CB-CB 4.26Å; R205-F285 HydrophobicContact CB-CD1 4.27Å; R205-F285 VanDerWaalsContact NH2-CE2 3.32Å; R205-F285 VanDerWaalsContact NH2-CG 3.3Å; I206-F285 CarbonylContact O-C 3.58Å; I206-F285 WeakPolarHBondContact O-CA 3.26Å; I207-F285 HydrophobicContact CG1-CD1 4.11Å; I207-F285 HydrophobicContact CG1-CE1 3.71Å
286	Y	96.7	Very high	90.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.1	163.4	68.4	-80.4	0	0	0	112.4	V70 G85 M174 R205 I206 L208 K288 L291	V70-Y286 HydrophobicContact CG2-CE2 3.96Å; G85-Y286 WeakPolarHBondContact CA-OH 3.2Å; M174-Y286 VanDerWaalsContact SD-CA 3.58Å; R205-Y286 WeakPolarHBondContact CA-O 3.32Å; I206-Y286 HydrophobicContact CB-CD1 4.14Å; I206-Y286 HydrophobicContact CB-CE1 3.59Å; I206-Y286 HydrophobicContact CB-CE2 4.22Å; I206-Y286 HydrophobicContact CD1-CE2 4.01Å; I206-Y286 HydrophobicContact CG2-CD1 4.44Å; I206-Y286 HydrophobicContact CG2-CE1 3.52Å; I206-Y286 WeakPolarHBondContact CG2-OH 3.42Å; I206-Y286 PolarHBondContact N-O 2.89Å; I206-Y286 PolarHBondContact O-N 3.12Å; L208-Y286 HydrophobicContact CB-CD1 4.21Å; L208-Y286 HydrophobicContact CD1-CD1 3.71Å; L208-Y286 HydrophobicContact CD1-CE1 3.98Å; Y286-K288 HydrophobicContact CE2-CB 4.09Å; Y286-K288 HydrophobicContact CE2-CG 4.32Å; Y286-L291 HydrophobicContact CD2-CD1 3.49Å; Y286-L291 VanDerWaalsContact CD2-CD1 3.49Å; Y286-L291 HydrophobicContact CD2-CG 4.22Å; Y286-L291 HydrophobicContact CE2-CD1 3.97Å; Y286-L291 HydrophobicContact CG-CD1 4.23Å
287	Y	96.8	Very high	89.1	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.02	24%	0.238	C	C	.	.			trans	-94.3	107.2	171.4	-68.4	-81.3	0	0	0	108.9	Y173 M174 N176 R200 L203 R205 D289 H290	Y173-Y287 HydrophobicContact CE1-CD2 4.27Å; M174-Y287 HydrophobicContact SD-CD2 3.85Å; M174-Y287 PolarHBondContact SD-N 3.36Å; M174-Y287 VanDerWaalsContact SD-N 3.42Å; N176-Y287 PolarHBondContact OD1-OH 3.41Å; R200-Y287 HydrophobicContact CB-CE1 4.04Å; R200-Y287 HydrophobicContact CB-CE2 4.27Å; R200-Y287 VanDerWaalsContact CD-CE2 3.49Å; R200-Y287 HydrophobicContact CG-CD2 4.14Å; R200-Y287 HydrophobicContact CG-CE1 4.18Å; R200-Y287 HydrophobicContact CG-CE2 3.81Å; R200-Y287 HydrophobicContact CG-CG 4.5Å; L203-Y287 HydrophobicContact CB-CD1 3.69Å; L203-Y287 HydrophobicContact CB-CE1 3.81Å; L203-Y287 HydrophobicContact CD1-CD1 4.35Å; R205-Y287 VanDerWaalsContact CD-CZ 3.43Å; R205-Y287 WeakPolarHBondContact CD-OH 3.4Å; R205-Y287 HydrophobicContact CG-CD1 3.74Å; R205-Y287 HydrophobicContact CG-CD2 4.49Å; R205-Y287 HydrophobicContact CG-CE1 3.31Å; R205-Y287 HydrophobicContact CG-CE2 4.1Å; R205-Y287 HydrophobicContact CG-CG 4.33Å; Y287-D289 VanDerWaalsContact C-N 3.34Å; Y287-D289 PolarHBondContact O-N 3.46Å; Y287-H290 PolarHBondContact O-N 2.97Å; Y287-H290 VanDerWaalsContact O-N 3.13Å
288	K	94.8	Very high	86.9	Confident	43 Å²	43	44.4 Å²	44.4	19%	0.187	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-56.5	-47.2	-172.7	-168.2	176.8	-175.1	173.6	0	112.5	L73 E84 L129 I206 Y286 H290 L291	L73-K288 HydrophobicContact CD2-CD 4.38Å; E84-K288 IonicContact OE1-NZ 3.45Å; E84-K288 PolarHBondContact OE1-NZ 3.09Å; L129-K288 HydrophobicContact CD1-CG 3.71Å; I206-K288 HydrophobicContact CD1-CB 3.85Å; I206-K288 HydrophobicContact CD1-CD 3.78Å; I206-K288 HydrophobicContact CD1-CG 4.21Å; Y286-K288 HydrophobicContact CE2-CB 4.09Å; Y286-K288 HydrophobicContact CE2-CG 4.32Å; K288-H290 PolarHBondContact O-N 3.04Å; K288-L291 PolarHBondContact O-N 3.1Å
289	D	92.9	Very high	84.6	Confident	100 Å²	100	44.5 Å²	44.5	54%	0.535	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-71.2	-11.9	-176.1	-56.4	-29.1	0	0	0	113.2	Y287	Y287-D289 VanDerWaalsContact C-N 3.34Å; Y287-D289 PolarHBondContact O-N 3.46Å
290	H	95.6	Very high	82.5	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.009	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-99.5	-2	178.9	-67.6	179.6	0	0	0	113.2	W158 Y173 R186 L197 T198 L203 Y287 K288	W158-H290 HydrophobicContact CZ3-CB 4.34Å; Y173-H290 HydrophobicContact CE1-CB 4.47Å; Y173-H290 AromaticContact CE1-ND1 3.9Å; Y173-H290 AromaticContact CZ-ND1 3.84Å; Y173-H290 PolarHBondContact OH-CE1 3Å; Y173-H290 PolarHBondContact OH-ND1 3.14Å; R186-H290 PolarHBondContact NH1-O 3.18Å; L197-H290 HydrophobicContact CD1-CB 4.06Å; L197-H290 HydrophobicContact CD2-CB 4.47Å; T198-H290 PolarHBondContact O-CE1 3.23Å; T198-H290 PolarHBondContact O-NE2 2.88Å; T198-H290 PolarHBondContact OG1-NE2 2.87Å; L203-H290 WeakPolarHBondContact CD1-CE1 3.46Å; L203-H290 WeakPolarHBondContact CD1-NE2 3.21Å; Y287-H290 PolarHBondContact O-N 2.97Å; Y287-H290 VanDerWaalsContact O-N 3.13Å; K288-H290 PolarHBondContact O-N 3.04Å
291	L	95.2	Very high	80.3	Confident	9 Å²	9	50 Å²	50	5%	0.047	26%	0.26	C	S	.	.	S	Bend	trans	-86.2	147.3	174.2	-64.4	-174.6	0	0	0	111.6	V70 L129 Y131 M156 W158 M174 Y286 K288	V70-L291 HydrophobicContact CG2-CD1 3.84Å; L129-L291 HydrophobicContact CB-CB 3.93Å; L129-L291 HydrophobicContact CB-CD1 4.16Å; L129-L291 HydrophobicContact CD1-CB 4.37Å; L129-L291 HydrophobicContact CD2-CB 4.33Å; L129-L291 HydrophobicContact CG-CB 4.42Å; Y131-L291 HydrophobicContact CD2-CD1 4.41Å; M156-L291 HydrophobicContact CE-CD2 4.27Å; W158-L291 HydrophobicContact CH2-CD2 4.48Å; M174-L291 HydrophobicContact CE-CD2 3.5Å; M174-L291 VanDerWaalsContact CE-CD2 3.5Å; Y286-L291 HydrophobicContact CD2-CD1 3.49Å; Y286-L291 VanDerWaalsContact CD2-CD1 3.49Å; Y286-L291 HydrophobicContact CD2-CG 4.22Å; Y286-L291 HydrophobicContact CE2-CD1 3.97Å; Y286-L291 HydrophobicContact CG-CD1 4.23Å; K288-L291 PolarHBondContact O-N 3.1Å
292	P	93.6	Very high	77.8	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.032	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-68.7	146.7	172.1	-5.1	16.3	0	0	0	111.8	L129 L130 M156 R186 E188 L294	L129-P292 CarbonylContact C-O 3.49Å; L129-P292 WeakPolarHBondContact CA-O 3.32Å; L129-P292 WeakPolarHBondContact CD2-O 3.41Å; L130-P292 HydrophobicContact CB-CB 4.29Å; L130-P292 HydrophobicContact CB-CG 4.02Å; L130-P292 HydrophobicContact CD2-CG 4.28Å; L130-P292 PolarHBondContact N-O 2.79Å; L130-P292 WeakPolarHBondContact O-CD 3.36Å; M156-P292 HydrophobicContact SD-CG 3.79Å; R186-P292 VanDerWaalsContact CZ-CG 3.48Å; R186-P292 VanDerWaalsContact NH1-N 3.18Å; E188-P292 HydrophobicContact CG-CG 3.9Å; E188-P292 VanDerWaalsContact OE1-CB 3.32Å; E188-P292 WeakPolarHBondContact OE1-CB 3.39Å; E188-P292 WeakPolarHBondContact OE1-CG 3.37Å; P292-L294 PolarHBondContact O-N 2.6Å
293	K	93.3	Very high	74.8	Confident	62 Å²	62	57.6 Å²	57.6	27%	0.27	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-70.6	128.7	163.3	-57.3	-173.2	-147.9	132.6	0	109.2	Y126 L129 G295 E296	Y126-K293 HydrophobicContact CD1-CB 3.93Å; Y126-K293 HydrophobicContact CD1-CD 4.44Å; Y126-K293 HydrophobicContact CD2-CD 3.9Å; Y126-K293 HydrophobicContact CG-CB 4.01Å; Y126-K293 HydrophobicContact CG-CD 3.78Å; Y126-K293 HydrophobicContact CG-CG 4.47Å; L129-K293 HydrophobicContact CD2-CG 4.11Å; K293-G295 PolarHBondContact O-N 3.16Å; K293-G295 VanDerWaalsContact O-N 3.15Å; K293-E296 HydrophobicContact CB-CB 3.8Å; K293-E296 WeakPolarHBondContact CB-OE2 3.21Å; K293-E296 WeakPolarHBondContact CD-OE2 3.21Å; K293-E296 WeakPolarHBondContact CE-OE2 3.36Å; K293-E296 WeakPolarHBondContact CG-OE2 3.36Å; K293-E296 VanDerWaalsContact NZ-CD 3.25Å; K293-E296 IonicContact NZ-OE1 3.36Å; K293-E296 PolarHBondContact NZ-OE1 2.89Å; K293-E296 IonicContact NZ-OE2 2.61Å; K293-E296 PolarHBondContact NZ-OE2 3.38Å; K293-E296 PolarHBondContact O-N 3.15Å; K293-E296 VanDerWaalsContact O-N 3.17Å
294	L	91.4	Very high	71.9	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	119.2	179.2	-176.6	75	0	0	0	109.5	M63 M67 V69 V90 V106 T120 Y126 L128 L130 P292	M63-L294 HydrophobicContact CE-CD1 4.38Å; M63-L294 HydrophobicContact CE-CD2 4.41Å; M63-L294 HydrophobicContact CE-CG 3.86Å; M63-L294 HydrophobicContact CG-CD1 4.33Å; M63-L294 HydrophobicContact SD-CD2 4.48Å; M63-L294 HydrophobicContact SD-CG 4.42Å; M67-L294 HydrophobicContact SD-CD1 3.89Å; V69-L294 HydrophobicContact CG1-CD1 4.29Å; V69-L294 HydrophobicContact CG1-CD2 3.96Å; V90-L294 HydrophobicContact CG2-CD2 3.84Å; V106-L294 HydrophobicContact CG1-CD2 4.35Å; V106-L294 HydrophobicContact CG2-CD2 3.96Å; T120-L294 VanDerWaalsContact CB-O 3.24Å; T120-L294 WeakPolarHBondContact CB-O 3.36Å; T120-L294 HydrophobicContact CG2-CB 4.27Å; T120-L294 HydrophobicContact CG2-CD2 3.72Å; T120-L294 HydrophobicContact CG2-CG 4.04Å; T120-L294 WeakPolarHBondContact CG2-O 3.47Å; Y126-L294 WeakPolarHBondContact CD1-O 3.38Å; L128-L294 HydrophobicContact CB-CB 3.96Å; L128-L294 HydrophobicContact CB-CD2 4.15Å; L128-L294 HydrophobicContact CD1-CD2 3.87Å; L128-L294 PolarHBondContact O-N 2.94Å; L130-L294 HydrophobicContact CB-CD1 4.48Å; L130-L294 HydrophobicContact CD1-CD1 4.47Å; P292-L294 PolarHBondContact O-N 2.6Å
295	G	79	Confident	69	Low	15 Å²	15	68.5 Å²	68.5	16%	0.155	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-1.5	179.5	0	0	0	0	0	115.3	K293	K293-G295 PolarHBondContact O-N 3.16Å; K293-G295 VanDerWaalsContact O-N 3.15Å
296	E	79	Confident	65.8	Low	80 Å²	80	70 Å²	70	37%	0.374	36%	0.36	S	S	.	.	S	Bend	trans	-82.4	121	162.9	-166.7	170.2	-139.1	0	0	107.1	Y126 K293 A298	Y126-E296 HydrophobicContact CD1-CB 4.33Å; Y126-E296 HydrophobicContact CE1-CB 3.79Å; K293-E296 HydrophobicContact CB-CB 3.8Å; K293-E296 WeakPolarHBondContact CB-OE2 3.21Å; K293-E296 WeakPolarHBondContact CD-OE2 3.21Å; K293-E296 WeakPolarHBondContact CE-OE2 3.36Å; K293-E296 WeakPolarHBondContact CG-OE2 3.36Å; K293-E296 VanDerWaalsContact NZ-CD 3.25Å; K293-E296 IonicContact NZ-OE1 3.36Å; K293-E296 PolarHBondContact NZ-OE1 2.89Å; K293-E296 IonicContact NZ-OE2 2.61Å; K293-E296 PolarHBondContact NZ-OE2 3.38Å; K293-E296 PolarHBondContact O-N 3.15Å; K293-E296 VanDerWaalsContact O-N 3.17Å; E296-A298 PolarHBondContact O-N 3.18Å
297	H	60.2	Low	62.6	Low	131 Å²	131	75.6 Å²	75.6	61%	0.606	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-69.2	118.7	-172.6	-64	-88.3	0	0	0	110.1	S62 E299	S62-H297 WeakPolarHBondContact CB-ND1 3.47Å; S62-H297 PolarHBondContact OG-CE1 3.35Å; S62-H297 PolarHBondContact OG-ND1 3.45Å; S62-H297 VanDerWaalsContact OG-ND1 3.08Å; H297-E299 PolarHBondContact O-N 3.43Å
298	A	50.2	Low	59.7	Low	25 Å²	25	79.3 Å²	79.3	21%	0.207	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-60.8	120.3	153.3	0	0	0	0	0	106.8	E188 E296 L300	E188-A298 HydrophobicContact CG-CB 4.48Å; E296-A298 PolarHBondContact O-N 3.18Å; A298-L300 PolarHBondContact O-N 3.08Å
299	E	44.1	Very low	57.2	Low	91 Å²	91	83.1 Å²	83.1	43%	0.425	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-54.2	121.7	175.7	-63.9	-161.8	177.8	0	0	107.9	Q193 H297 R302	Q193-E299 VanDerWaalsContact CB-O 3.25Å; Q193-E299 WeakPolarHBondContact CB-O 3.43Å; Q193-E299 HydrophobicContact CG-CB 4.47Å; Q193-E299 VanDerWaalsContact CG-O 3.31Å; Q193-E299 WeakPolarHBondContact CG-O 3.02Å; Q193-E299 PolarHBondContact N-O 3.36Å; H297-E299 PolarHBondContact O-N 3.43Å; E299-R302 IonicContact OE1-CZ 2.7Å; E299-R302 IonicContact OE1-NH2 3.38Å; E299-R302 PolarHBondContact OE1-NH2 3.07Å; E299-R302 IonicContact OE2-CZ 3.53Å; E299-R302 VanDerWaalsContact OE2-CZ 3.28Å; E299-R302 IonicContact OE2-NE 3.72Å; E299-R302 PolarHBondContact OE2-NE 3.25Å; E299-R302 IonicContact OE2-NH2 2.85Å; E299-R302 PolarHBondContact OE2-NH2 3.33Å
300	L	42.1	Very low	55.5	Low	94 Å²	94	83.3 Å²	83.3	49%	0.492	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-59.8	147.7	163.8	-70.3	167.8	0	0	0	106.7	A298 R302	A298-L300 PolarHBondContact O-N 3.08Å; L300-R302 VanDerWaalsContact C-N 3.33Å; L300-R302 PolarHBondContact O-N 2.84Å
301	Q	31.9	Very low	54.6	Low	141 Å²	141	84.1 Å²	84.1	66%	0.659	46%	0.461	S	S	*	.			trans	-53.2	97	-178.6	-157.6	170.4	6	0	0	110.8	Q193 Q303	Q193-Q301 HydrophobicContact CG-CB 4.05Å; Q193-Q301 HydrophobicContact CG-CG 4.22Å; Q301-Q303 PolarHBondContact O-N 3.32Å
302	R	33.6	Very low	53.8	Low	145 Å²	145	89.8 Å²	89.8	55%	0.547	49%	0.487	S	S	.	.			trans	-62.5	115.4	158.6	-66.5	-171.7	-134.5	-157.7	3.4	104.7	Q193 E299 L300 E304	Q193-R302 VanDerWaalsContact NE2-N 3.15Å; E299-R302 IonicContact OE1-CZ 2.7Å; E299-R302 IonicContact OE1-NH2 3.38Å; E299-R302 PolarHBondContact OE1-NH2 3.07Å; E299-R302 IonicContact OE2-CZ 3.53Å; E299-R302 VanDerWaalsContact OE2-CZ 3.28Å; E299-R302 IonicContact OE2-NE 3.72Å; E299-R302 PolarHBondContact OE2-NE 3.25Å; E299-R302 IonicContact OE2-NH2 2.85Å; E299-R302 PolarHBondContact OE2-NH2 3.33Å; L300-R302 VanDerWaalsContact C-N 3.33Å; L300-R302 PolarHBondContact O-N 2.84Å; R302-E304 HydrophobicContact CB-CG 4.28Å; R302-E304 PolarHBondContact O-N 2.91Å
303	Q	28.6	Very low	53.1	Low	163 Å²	163	96.7 Å²	96.7	76%	0.762	52%	0.519	S	S	*	.			trans	-66.3	87.3	156.9	-84.5	179.8	-36.8	0	0	106.4	Q301 S305	Q301-Q303 PolarHBondContact O-N 3.32Å; Q303-S305 PolarHBondContact O-N 2.91Å; Q303-S305 VanDerWaalsContact O-N 3.13Å
304	E	24.7	Very low	52	Low	164 Å²	164	95.9 Å²	95.9	77%	0.766	53%	0.528	S	S	*	.			trans	-68.7	104.8	162.1	-73.2	-171.4	160.1	0	0	107	R302 A306	R302-E304 HydrophobicContact CB-CG 4.28Å; R302-E304 PolarHBondContact O-N 2.91Å; E304-A306 PolarHBondContact O-N 2.98Å
305	S	29.4	Very low	51.5	Low	102 Å²	102	96.7 Å²	96.7	71%	0.713	53%	0.533	S	S	*	.			trans	-60.7	114.3	158	174.9	0	0	0	0	107.2	Q303 D307	Q303-S305 PolarHBondContact O-N 2.91Å; Q303-S305 VanDerWaalsContact O-N 3.13Å; S305-D307 PolarHBondContact O-N 2.81Å
306	A	28.4	Very low	51.5	Low	89 Å²	89	100.4 Å²	100.4	74%	0.736	55%	0.545	S	S	*	.	S	Bend	trans	-60.7	93.5	157.4	0	0	0	0	0	107.3	E304	E304-A306 PolarHBondContact O-N 2.98Å
307	D	30.8	Very low	51.6	Low	117 Å²	117	96.6 Å²	96.6	63%	0.626	53%	0.527	S	S	*	.	S	Bend	trans	164.2	122.8	140.8	-82.6	-23.6	0	0	0	110	S305 H309	S305-D307 PolarHBondContact O-N 2.81Å; D307-H309 PolarHBondContact O-N 2.62Å
308	G	34.8	Very low	52.5	Low	84 Å²	84	93.5 Å²	93.5	87%	0.866	51%	0.512	S	S	*	.			trans	-65.8	102.4	171.6	0	0	0	0	0	110.3
309	H	42.3	Very low	53.9	Low	123 Å²	123	92.3 Å²	92.3	57%	0.569	50%	0.502	S	S	*	.			trans	-113.9	109.7	169.2	-66.9	-28	0	0	0	110.2	D307 F311	D307-H309 PolarHBondContact O-N 2.62Å; H309-F311 PolarHBondContact O-N 3.37Å
310	S	57.6	Low	54.8	Low	104 Å²	104	92.2 Å²	92.2	73%	0.727	50%	0.504	S	S	*	.			trans	-71.8	115.1	162.1	57.3	0	0	0	0	108.4
311	F	77.1	Confident	55.5	Low	19 Å²	19	88.8 Å²	88.8	8%	0.083	49%	0.486	C	S	.	.			trans	-61.5	156.9	171.6	-61.8	-78	0	0	0	110.8	H309 V317 V350 I353 V359 P373 L376 K378	H309-F311 PolarHBondContact O-N 3.37Å; F311-V317 HydrophobicContact CD1-CG1 3.57Å; F311-V317 HydrophobicContact CE1-CG1 3.57Å; F311-V350 HydrophobicContact CB-CG2 4.35Å; F311-V350 HydrophobicContact CD1-CG2 4.41Å; F311-I353 HydrophobicContact CB-CD1 4.33Å; F311-I353 WeakPolarHBondContact O-CD1 3.4Å; F311-V359 HydrophobicContact CB-CG1 4.4Å; F311-V359 HydrophobicContact CB-CG2 4.33Å; F311-V359 HydrophobicContact CD2-CG1 4.49Å; F311-V359 HydrophobicContact CD2-CG2 3.41Å; F311-V359 VanDerWaalsContact CD2-CG2 3.41Å; F311-V359 HydrophobicContact CE2-CG2 3.98Å; F311-V359 HydrophobicContact CG-CG1 4.36Å; F311-V359 HydrophobicContact CG-CG2 4.03Å; F311-P373 HydrophobicContact CD2-CB 4.26Å; F311-P373 HydrophobicContact CE2-CB 3.94Å; F311-P373 WeakPolarHBondContact CE2-O 3.43Å; F311-L376 HydrophobicContact CE1-CB 4.17Å; F311-L376 HydrophobicContact CE2-CB 4.39Å; F311-L376 HydrophobicContact CZ-CB 3.77Å; F311-L376 WeakPolarHBondContact CZ-O 3.4Å; F311-K378 HydrophobicContact CE1-CB 4.26Å
312	Q	77.3	Confident	56.7	Low	128 Å²	128	88.6 Å²	88.6	60%	0.598	49%	0.485	S	S	*	.			trans	-126.9	157.1	170	-63.7	-173.2	11.4	0	0	110.6	G314 D315 V350	Q312-G314 PolarHBondContact O-N 2.84Å; Q312-D315 PolarHBondContact N-OD2 3.17Å; Q312-D315 WeakPolarHBondContact O-CB 2.9Å; Q312-D315 PolarHBondContact O-N 2.9Å; Q312-D315 VanDerWaalsContact O-N 3.14Å; Q312-V350 VanDerWaalsContact O-CB 3.31Å; Q312-V350 WeakPolarHBondContact O-CB 3.43Å; Q312-V350 WeakPolarHBondContact O-CG1 3.48Å
313	Q	79	Confident	58.2	Low	149 Å²	149	84.7 Å²	84.7	70%	0.696	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	128	174	-179.9	173.7	9.6	0	0	109.9	H351	Q313-H351 VanDerWaalsContact CD-O 3.29Å; Q313-H351 VanDerWaalsContact CG-O 3.31Å; Q313-H351 WeakPolarHBondContact CG-O 3.37Å; Q313-H351 PolarHBondContact NE2-O 2.78Å; Q313-H351 VanDerWaalsContact NE2-O 3.15Å
314	G	71	Confident	59.7	Low	45 Å²	45	83.1 Å²	83.1	46%	0.464	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.5	-15	-175.8	0	0	0	0	0	114.5	Q312 K316 T349 V350	Q312-G314 PolarHBondContact O-N 2.84Å; G314-K316 PolarHBondContact O-N 3.08Å; G314-T349 WeakPolarHBondContact O-CG2 3.35Å; G314-V350 PolarHBondContact N-O 3.09Å
315	D	80.3	Confident	61.2	Low	22 Å²	22	78.7 Å²	78.7	12%	0.118	45%	0.45	C	S	.	.			trans	-60.6	135.5	179.7	-78.1	-14.8	0	0	0	111.8	Q312 V317 T349 V350 K378	Q312-D315 PolarHBondContact N-OD2 3.17Å; Q312-D315 WeakPolarHBondContact O-CB 2.9Å; Q312-D315 PolarHBondContact O-N 2.9Å; Q312-D315 VanDerWaalsContact O-N 3.14Å; D315-V317 HydrophobicContact CB-CG1 4.3Å; D315-T349 CarbonylContact O-C 3.58Å; D315-T349 WeakPolarHBondContact O-CA 3.46Å; D315-V350 HydrophobicContact CB-CB 4.21Å; D315-V350 HydrophobicContact CB-CG2 3.87Å; D315-V350 WeakPolarHBondContact O-CG2 3.23Å; D315-V350 PolarHBondContact O-N 3.17Å; D315-K378 HydrophobicContact CB-CD 4.44Å; D315-K378 WeakPolarHBondContact OD1-CE 3.45Å; D315-K378 IonicContact OD1-NZ 3.1Å; D315-K378 PolarHBondContact OD1-NZ 3.3Å; D315-K378 WeakPolarHBondContact OD2-CE 3.28Å; D315-K378 IonicContact OD2-NZ 2.87Å; D315-K378 PolarHBondContact OD2-NZ 2.88Å
316	K	79.6	Confident	63.4	Low	92 Å²	92	73.8 Å²	73.8	40%	0.4	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126	169.3	-61.8	-62.5	-179.6	179.7	0	108.7	G314 I347 G348 T349 K378 V379	G314-K316 PolarHBondContact O-N 3.08Å; K316-I347 HydrophobicContact CB-CG2 4.06Å; K316-I347 HydrophobicContact CD-CG2 4.25Å; K316-G348 WeakPolarHBondContact CA-O 3.43Å; K316-T349 HydrophobicContact CD-CG2 4.33Å; K316-T349 PolarHBondContact NZ-OG1 3.32Å; K316-K378 CarbonylContact O-C 3.45Å; K316-K378 WeakPolarHBondContact O-CA 3.14Å; K316-V379 HydrophobicContact CB-CB 4.45Å; K316-V379 PolarHBondContact O-N 3.22Å
317	V	80.9	Confident	65.6	Low	0 Å²	0	74 Å²	74	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.1	-175	-65.6	0	0	0	0	110.7	F311 D315 G348 V350 V361 L376 T377	F311-V317 HydrophobicContact CD1-CG1 3.57Å; F311-V317 HydrophobicContact CE1-CG1 3.57Å; D315-V317 HydrophobicContact CB-CG1 4.3Å; V317-G348 PolarHBondContact N-O 3.25Å; V317-G348 PolarHBondContact O-N 3.28Å; V317-G348 VanDerWaalsContact O-O 3.11Å; V317-V350 HydrophobicContact CB-CG2 4.25Å; V317-V350 HydrophobicContact CG1-CG2 3.53Å; V317-V350 HydrophobicContact CG2-CG2 3.63Å; V317-V361 HydrophobicContact CG2-CB 4.37Å; V317-V361 HydrophobicContact CG2-CG1 3.75Å; V317-V361 HydrophobicContact CG2-CG2 3.62Å; V317-L376 HydrophobicContact CB-CB 4.31Å; V317-L376 HydrophobicContact CB-CD2 4.5Å; V317-L376 HydrophobicContact CG2-CD1 4.14Å; V317-L376 HydrophobicContact CG2-CD2 4.28Å; V317-T377 CarbonylContact C-O 3.58Å; V317-T377 WeakPolarHBondContact CA-O 3.44Å
318	K	79.2	Confident	67.3	Low	66 Å²	66	73.5 Å²	73.5	29%	0.287	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.7	172.3	62.9	-178.8	179.8	173.3	0	110.3	L320 I347 T377 V379	K318-L320 HydrophobicContact CD-CD2 3.87Å; K318-L320 HydrophobicContact CD-CG 4.42Å; K318-L320 HydrophobicContact CG-CD2 4.14Å; K318-L320 HydrophobicContact CG-CG 4.27Å; K318-I347 HydrophobicContact CB-CG1 4.41Å; K318-T377 PolarHBondContact N-O 3.14Å; K318-T377 PolarHBondContact O-N 2.84Å; K318-V379 HydrophobicContact CD-CG2 4.01Å; K318-V379 HydrophobicContact CG-CG2 3.86Å
319	C	78.7	Confident	68.7	Low	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.365	C	S	.	.			trans	-96.6	123.1	173	-179.6	0	0	0	0	109.1	C345 F371 A375 L376	C319-C345 WeakPolarHBondContact O-CA 3.4Å; C319-C345 PolarHBondContact O-N 2.88Å; C319-F371 HydrophobicContact CB-CD1 4.48Å; C319-F371 HydrophobicContact CB-CE1 4.08Å; C319-A375 VanDerWaalsContact CA-O 3.26Å; C319-A375 WeakPolarHBondContact CA-O 3.49Å; C319-A375 WeakPolarHBondContact CB-O 3.44Å; C319-A375 PolarHBondContact SG-O 2.74Å; C319-L376 HydrophobicContact CB-CD2 4.1Å
320	L	63.3	Low	70.5	Confident	89 Å²	89	66.4 Å²	66.4	47%	0.466	34%	0.337	S	S	.	.			trans	-105.5	5.8	-178.8	-63.4	178	0	0	0	113.2	K318	K318-L320 HydrophobicContact CD-CD2 3.87Å; K318-L320 HydrophobicContact CD-CG 4.42Å; K318-L320 HydrophobicContact CG-CD2 4.14Å; K318-L320 HydrophobicContact CG-CG 4.27Å
321	L	56.8	Low	70.8	Confident	22 Å²	22	69.3 Å²	69.3	12%	0.115	34%	0.339	C	S	.	.	S	Bend	trans	-84.8	142.8	-176.4	-58.5	178.9	0	0	0	111	I325 L326 M329 I344 A375	L321-I325 HydrophobicContact CB-CG2 4.4Å; L321-I325 HydrophobicContact CD1-CG2 4.37Å; L321-I325 HydrophobicContact CD2-CG2 4.48Å; L321-L326 HydrophobicContact CB-CB 4.31Å; L321-M329 HydrophobicContact CD1-CE 3.93Å; L321-M329 HydrophobicContact CD1-SD 3.24Å; L321-M329 WeakPolarHBondContact CD1-SD 3.34Å; L321-I344 WeakPolarHBondContact O-CG2 3.18Å; L321-A375 HydrophobicContact CD1-CB 3.8Å
322	E	57.8	Low	70.1	Confident	137 Å²	137	71.2 Å²	71.2	64%	0.64	37%	0.365	S	S	*	.			trans	-61.6	154.4	174.5	-64.8	-174.3	171.2	0	0	112.1	E324 I325 L326	E322-E324 VanDerWaalsContact C-N 3.25Å; E322-E324 PolarHBondContact O-N 3.31Å; E322-E324 VanDerWaalsContact O-N 3.17Å; E322-I325 HydrophobicContact CB-CD1 4.17Å; E322-I325 HydrophobicContact CB-CG1 4.35Å; E322-I325 PolarHBondContact O-N 2.72Å; E322-I325 VanDerWaalsContact O-N 3.08Å; E322-L326 WeakPolarHBondContact O-CB 3.29Å; E322-L326 PolarHBondContact O-N 2.86Å
323	V	64.9	Low	69.8	Low	64 Å²	64	68 Å²	68	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-52.4	-41.9	-176.1	173.4	0	0	0	0	112.5	R327 W336 A341 I344	V323-R327 WeakPolarHBondContact O-CB 3.21Å; V323-R327 PolarHBondContact O-N 2.9Å; V323-W336 HydrophobicContact CG1-CH2 3.71Å; V323-W336 HydrophobicContact CG1-CZ2 3.54Å; V323-A341 HydrophobicContact CG1-CB 4.29Å; V323-A341 HydrophobicContact CG2-CB 3.74Å; V323-I344 HydrophobicContact CB-CD1 4.2Å; V323-I344 HydrophobicContact CG2-CD1 3.48Å; V323-I344 VanDerWaalsContact CG2-CD1 3.48Å
324	E	59.3	Low	69.6	Low	129 Å²	129	63.8 Å²	63.8	60%	0.603	35%	0.346	S	S	*	.	H	α-helix	trans	-71.9	-37.3	-177.8	-63.1	-166.6	165.5	0	0	112.5	E322 Q328	E322-E324 VanDerWaalsContact C-N 3.25Å; E322-E324 PolarHBondContact O-N 3.31Å; E322-E324 VanDerWaalsContact O-N 3.17Å; E324-Q328 WeakPolarHBondContact O-CG 2.99Å; E324-Q328 PolarHBondContact O-N 2.8Å
325	I	56.8	Low	69.8	Low	71 Å²	71	63.1 Å²	63.1	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-70.4	-49.2	177.1	-58	174.4	0	0	0	109.7	L321 E322 R327 Q328 M329	L321-I325 HydrophobicContact CB-CG2 4.4Å; L321-I325 HydrophobicContact CD1-CG2 4.37Å; L321-I325 HydrophobicContact CD2-CG2 4.48Å; E322-I325 HydrophobicContact CB-CD1 4.17Å; E322-I325 HydrophobicContact CB-CG1 4.35Å; E322-I325 PolarHBondContact O-N 2.72Å; E322-I325 VanDerWaalsContact O-N 3.08Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 2.83Å; I325-Q328 PolarHBondContact O-N 3.28Å; I325-Q328 VanDerWaalsContact O-N 3.15Å; I325-M329 HydrophobicContact CG2-CG 4.47Å; I325-M329 HydrophobicContact CG2-SD 4.04Å; I325-M329 WeakPolarHBondContact O-CG 3.4Å; I325-M329 PolarHBondContact O-N 3.48Å
326	L	74.7	Confident	70.1	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-42.8	176.6	177.5	61.7	0	0	0	111	L321 E322 Q328 M329 Q330 W336 I344 F371 A375	L321-L326 HydrophobicContact CB-CB 4.31Å; E322-L326 WeakPolarHBondContact O-CB 3.29Å; E322-L326 PolarHBondContact O-N 2.86Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.33Å; L326-M329 PolarHBondContact O-N 3.03Å; L326-Q330 HydrophobicContact CD1-CG 3.79Å; L326-Q330 HydrophobicContact CG-CG 4.13Å; L326-Q330 VanDerWaalsContact O-CB 3.29Å; L326-Q330 WeakPolarHBondContact O-CB 3.39Å; L326-Q330 WeakPolarHBondContact O-CG 3.44Å; L326-Q330 PolarHBondContact O-N 2.88Å; L326-W336 HydrophobicContact CB-CZ3 4.38Å; L326-W336 HydrophobicContact CD2-CZ3 3.71Å; L326-W336 HydrophobicContact CG-CE3 4.35Å; L326-W336 HydrophobicContact CG-CZ3 3.86Å; L326-I344 HydrophobicContact CD2-CD1 3.75Å; L326-I344 HydrophobicContact CD2-CG1 3.59Å; L326-F371 HydrophobicContact CD1-CD1 3.85Å; L326-F371 HydrophobicContact CD1-CE1 4.08Å; L326-F371 HydrophobicContact CD2-CD1 4.47Å; L326-F371 HydrophobicContact CD2-CE1 3.86Å; L326-A375 HydrophobicContact CD1-CB 3.78Å
327	R	76.4	Confident	70.4	Confident	94 Å²	94	64.1 Å²	64.1	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-56.9	-42.1	175.9	175.3	176.6	74.1	162.7	2.6	112.1	V323 I325 W336	V323-R327 WeakPolarHBondContact O-CB 3.21Å; V323-R327 PolarHBondContact O-N 2.9Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 2.83Å; R327-W336 HydrophobicContact CB-CB 4.36Å; R327-W336 HydrophobicContact CB-CD2 3.68Å; R327-W336 HydrophobicContact CB-CE3 4.01Å; R327-W336 HydrophobicContact CB-CG 3.84Å; R327-W336 HydrophobicContact CG-CB 3.85Å; R327-W336 HydrophobicContact CG-CD2 3.91Å; R327-W336 HydrophobicContact CG-CG 3.49Å; R327-W336 VanDerWaalsContact CG-CG 3.49Å
328	Q	65.4	Low	70.4	Confident	105 Å²	105	68.6 Å²	68.6	49%	0.491	37%	0.373	S	S	.	.	H	α-helix	trans	-69.9	-43.9	177	-71.3	175.6	11.7	0	0	111.5	E324 I325 L326 Q330 E331	E324-Q328 WeakPolarHBondContact O-CG 2.99Å; E324-Q328 PolarHBondContact O-N 2.8Å; I325-Q328 PolarHBondContact O-N 3.28Å; I325-Q328 VanDerWaalsContact O-N 3.15Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.33Å; Q328-Q330 PolarHBondContact O-N 2.81Å; Q328-E331 WeakPolarHBondContact O-CB 3.31Å; Q328-E331 PolarHBondContact O-N 3.13Å; Q328-E331 VanDerWaalsContact O-N 3.08Å
329	M	64.3	Low	70.5	Confident	59 Å²	59	71.5 Å²	71.5	29%	0.291	39%	0.386	S	S	.	.	H	α-helix	trans	-66.5	-24.5	178.4	-72.8	-176.1	66.1	0	0	113.7	L321 I325 L326 E331 A375	L321-M329 HydrophobicContact CD1-CE 3.93Å; L321-M329 HydrophobicContact CD1-SD 3.24Å; L321-M329 WeakPolarHBondContact CD1-SD 3.34Å; I325-M329 HydrophobicContact CG2-CG 4.47Å; I325-M329 HydrophobicContact CG2-SD 4.04Å; I325-M329 WeakPolarHBondContact O-CG 3.4Å; I325-M329 PolarHBondContact O-N 3.48Å; L326-M329 PolarHBondContact O-N 3.03Å; M329-E331 PolarHBondContact O-N 3.34Å; M329-A375 HydrophobicContact CE-CB 4.33Å
330	Q	80.4	Confident	70.8	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.5	175.5	-75.7	-60.2	115.2	0	0	113.3	L326 Q328 G332 H333 G335 W336 M340 T370 F371	L326-Q330 HydrophobicContact CD1-CG 3.79Å; L326-Q330 HydrophobicContact CG-CG 4.13Å; L326-Q330 VanDerWaalsContact O-CB 3.29Å; L326-Q330 WeakPolarHBondContact O-CB 3.39Å; L326-Q330 WeakPolarHBondContact O-CG 3.44Å; L326-Q330 PolarHBondContact O-N 2.88Å; Q328-Q330 PolarHBondContact O-N 2.81Å; Q330-G332 PolarHBondContact O-N 3.18Å; Q330-G332 VanDerWaalsContact O-N 3.12Å; Q330-H333 PolarHBondContact NE2-O 2.88Å; Q330-H333 PolarHBondContact O-N 3.29Å; Q330-H333 VanDerWaalsContact O-N 3.1Å; Q330-G335 PolarHBondContact NE2-O 3.24Å; Q330-G335 VanDerWaalsContact NE2-O 3.11Å; Q330-G335 VanDerWaalsContact O-CA 3.29Å; Q330-G335 WeakPolarHBondContact O-CA 3.32Å; Q330-G335 PolarHBondContact O-N 2.93Å; Q330-G335 VanDerWaalsContact O-N 3.12Å; Q330-W336 HydrophobicContact CB-CB 4.38Å; Q330-M340 HydrophobicContact CG-CE 4.05Å; Q330-T370 PolarHBondContact NE2-O 2.95Å; Q330-F371 VanDerWaalsContact OE1-CA 3.25Å
331	E	64.8	Low	71.5	Confident	164 Å²	164	69 Å²	69	77%	0.766	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	107.1	175.8	-164.8	163.2	-163.8	0	0	109.7	Q328 M329	Q328-E331 WeakPolarHBondContact O-CB 3.31Å; Q328-E331 PolarHBondContact O-N 3.13Å; Q328-E331 VanDerWaalsContact O-N 3.08Å; M329-E331 PolarHBondContact O-N 3.34Å
332	G	60.6	Low	72.6	Confident	60 Å²	60	73.1 Å²	73.1	62%	0.619	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-11.3	-173.9	0	0	0	0	0	115.5	Q330	Q330-G332 PolarHBondContact O-N 3.18Å; Q330-G332 VanDerWaalsContact O-N 3.12Å
333	H	72.8	Confident	73.7	Confident	60 Å²	60	66.8 Å²	66.8	28%	0.278	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	58.7	-171.7	-66.1	-88.5	0	0	0	112.9	Q330 G335 D358 H372	Q330-H333 PolarHBondContact NE2-O 2.88Å; Q330-H333 PolarHBondContact O-N 3.29Å; Q330-H333 VanDerWaalsContact O-N 3.1Å; H333-G335 VanDerWaalsContact C-N 3.34Å; H333-D358 IonicContact CE1-OD1 3.44Å; H333-D358 IonicContact CG-OD1 3.66Å; H333-D358 IonicContact ND1-OD1 3.91Å; H333-D358 PolarHBondContact ND1-OD1 2.89Å; H333-D358 IonicContact ND1-OD2 2.69Å; H333-H372 HydrophobicContact CB-CB 3.92Å; H333-H372 AromaticContact CD2-CD2 3.6Å; H333-H372 AromaticContact CE1-CD2 3.61Å; H333-H372 AromaticContact CG-CD2 3.59Å; H333-H372 AromaticContact ND1-CD2 3.59Å; H333-H372 AromaticContact NE2-CD2 3.63Å
334	G	74.3	Confident	74.1	Confident	61 Å²	61	65 Å²	65	63%	0.629	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-8.3	-178.5	0	0	0	0	0	115.2
335	G	75.3	Confident	73.9	Confident	31 Å²	31	62.8 Å²	62.8	32%	0.32	35%	0.352	S	S	.	.			trans	78.8	165.5	173.4	0	0	0	0	0	113.9	Q330 H333	Q330-G335 PolarHBondContact NE2-O 3.24Å; Q330-G335 VanDerWaalsContact NE2-O 3.11Å; Q330-G335 VanDerWaalsContact O-CA 3.29Å; Q330-G335 WeakPolarHBondContact O-CA 3.32Å; Q330-G335 PolarHBondContact O-N 2.93Å; Q330-G335 VanDerWaalsContact O-N 3.12Å; H333-G335 VanDerWaalsContact C-N 3.34Å
336	W	85.9	Confident	74.7	Confident	68 Å²	68	65.3 Å²	65.3	26%	0.258	36%	0.357	S	S	.	.			trans	-97.3	128.2	176.9	174.4	-107.4	0	0	0	111.4	V323 L326 R327 Q330 M340 A341	V323-W336 HydrophobicContact CG1-CH2 3.71Å; V323-W336 HydrophobicContact CG1-CZ2 3.54Å; L326-W336 HydrophobicContact CB-CZ3 4.38Å; L326-W336 HydrophobicContact CD2-CZ3 3.71Å; L326-W336 HydrophobicContact CG-CE3 4.35Å; L326-W336 HydrophobicContact CG-CZ3 3.86Å; R327-W336 HydrophobicContact CB-CB 4.36Å; R327-W336 HydrophobicContact CB-CD2 3.68Å; R327-W336 HydrophobicContact CB-CE3 4.01Å; R327-W336 HydrophobicContact CB-CG 3.84Å; R327-W336 HydrophobicContact CG-CB 3.85Å; R327-W336 HydrophobicContact CG-CD2 3.91Å; R327-W336 HydrophobicContact CG-CG 3.49Å; R327-W336 VanDerWaalsContact CG-CG 3.49Å; Q330-W336 HydrophobicContact CB-CB 4.38Å; W336-M340 HydrophobicContact CE3-CB 4.14Å; W336-M340 HydrophobicContact CE3-SD 4.38Å; W336-M340 HydrophobicContact CH2-CB 4.13Å; W336-M340 HydrophobicContact CZ3-CB 3.7Å; W336-A341 HydrophobicContact CH2-CB 3.8Å; W336-A341 HydrophobicContact CZ2-CB 4.07Å
337	N	85.1	Confident	74.8	Confident	66 Å²	66	69.7 Å²	69.7	35%	0.353	38%	0.38	S	S	.	.			trans	-117.7	131.8	165.5	-173.4	-47.8	0	0	0	108.3	K339 M340 W369	N337-K339 PolarHBondContact O-N 3.4Å; N337-K339 PolarHBondContact OD1-N 3.47Å; N337-M340 HydrophobicContact CB-CG 4.07Å; N337-M340 HydrophobicContact CB-SD 4.15Å; N337-M340 PolarHBondContact N-SD 3.27Å; N337-M340 WeakPolarHBondContact O-CB 3.2Å; N337-M340 WeakPolarHBondContact O-CG 3.28Å; N337-M340 PolarHBondContact O-N 3.23Å; N337-W369 HydrophobicContact CB-CH2 3.62Å; N337-W369 HydrophobicContact CB-CZ3 3.58Å
338	P	81.9	Confident	75	Confident	94 Å²	94	65.2 Å²	65.2	61%	0.61	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-51.2	-30.5	178.8	-28.9	35.5	0	0	0	114.6	M340 A341	P338-M340 PolarHBondContact O-N 3.01Å; P338-A341 VanDerWaalsContact O-CB 3.29Å; P338-A341 WeakPolarHBondContact O-CB 3.4Å; P338-A341 PolarHBondContact O-N 3.48Å
339	K	82.3	Confident	76.1	Confident	128 Å²	128	62.1 Å²	62.1	56%	0.557	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-68.2	-17.8	175.5	-67.8	-169.7	174.9	-172.7	0	114	N337 A341 E342 Y343 W369	N337-K339 PolarHBondContact O-N 3.4Å; N337-K339 PolarHBondContact OD1-N 3.47Å; K339-A341 PolarHBondContact O-N 3.03Å; K339-E342 WeakPolarHBondContact O-CB 3.44Å; K339-E342 PolarHBondContact O-N 2.8Å; K339-Y343 WeakPolarHBondContact O-CD2 3.46Å; K339-Y343 WeakPolarHBondContact O-CE2 3.48Å; K339-W369 HydrophobicContact CB-CH2 4.25Å; K339-W369 HydrophobicContact CB-CZ2 3.86Å
340	M	83.3	Confident	77.3	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.015	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-64.1	-29.3	173.9	-68.7	175.4	69.1	0	0	111.9	Q330 W336 N337 P338 E342 Y343 I344 W369 F371	Q330-M340 HydrophobicContact CG-CE 4.05Å; W336-M340 HydrophobicContact CE3-CB 4.14Å; W336-M340 HydrophobicContact CE3-SD 4.38Å; W336-M340 HydrophobicContact CH2-CB 4.13Å; W336-M340 HydrophobicContact CZ3-CB 3.7Å; N337-M340 HydrophobicContact CB-CG 4.07Å; N337-M340 HydrophobicContact CB-SD 4.15Å; N337-M340 PolarHBondContact N-SD 3.27Å; N337-M340 WeakPolarHBondContact O-CB 3.2Å; N337-M340 WeakPolarHBondContact O-CG 3.28Å; N337-M340 PolarHBondContact O-N 3.23Å; P338-M340 PolarHBondContact O-N 3.01Å; M340-E342 PolarHBondContact O-N 3.39Å; M340-Y343 PolarHBondContact O-N 3.25Å; M340-I344 PolarHBondContact O-N 3.32Å; M340-W369 HydrophobicContact CB-CD2 4.49Å; M340-W369 HydrophobicContact CE-CB 4.21Å; M340-W369 HydrophobicContact CE-CE3 4.41Å; M340-W369 HydrophobicContact CG-CD2 3.33Å; M340-W369 HydrophobicContact CG-CE3 3.3Å; M340-W369 HydrophobicContact CG-CG 3.9Å; M340-W369 HydrophobicContact CG-CH2 3.91Å; M340-W369 HydrophobicContact CG-CZ2 3.92Å; M340-W369 HydrophobicContact CG-CZ3 3.61Å; M340-W369 HydrophobicContact SD-CD2 4.17Å; M340-W369 HydrophobicContact SD-CE3 3.64Å; M340-W369 HydrophobicContact SD-CZ3 4.02Å; M340-F371 HydrophobicContact CE-CD1 4.24Å; M340-F371 HydrophobicContact CE-CE1 3.95Å; M340-F371 HydrophobicContact CE-CZ 4.21Å
341	A	77.9	Confident	77.7	Confident	34 Å²	34	61.8 Å²	61.8	28%	0.281	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-55.5	-33.8	175.8	0	0	0	0	0	112.3	V323 W336 P338 K339 Y343 I344	V323-A341 HydrophobicContact CG1-CB 4.29Å; V323-A341 HydrophobicContact CG2-CB 3.74Å; W336-A341 HydrophobicContact CH2-CB 3.8Å; W336-A341 HydrophobicContact CZ2-CB 4.07Å; P338-A341 VanDerWaalsContact O-CB 3.29Å; P338-A341 WeakPolarHBondContact O-CB 3.4Å; P338-A341 PolarHBondContact O-N 3.48Å; K339-A341 PolarHBondContact O-N 3.03Å; A341-Y343 PolarHBondContact O-N 2.98Å; A341-Y343 VanDerWaalsContact O-N 3.17Å; A341-I344 PolarHBondContact O-N 3.31Å
342	E	80.1	Confident	78.7	Confident	107 Å²	107	60.4 Å²	60.4	50%	0.5	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-66.3	-16.2	178.9	-58.2	173.3	-159.7	0	0	113	K339 M340 R346	K339-E342 WeakPolarHBondContact O-CB 3.44Å; K339-E342 PolarHBondContact O-N 2.8Å; M340-E342 PolarHBondContact O-N 3.39Å; E342-R346 VanDerWaalsContact O-CD 3.28Å; E342-R346 WeakPolarHBondContact O-CD 3.46Å; E342-R346 VanDerWaalsContact O-CZ 3.3Å; E342-R346 PolarHBondContact O-NE 3.01Å
343	Y	80.7	Confident	79.9	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.016	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-109.9	-0.5	-176.3	-61.6	-91.3	0	0	0	113.5	K339 M340 A341 R346 Y363 N365 I367 W369	K339-Y343 WeakPolarHBondContact O-CD2 3.46Å; K339-Y343 WeakPolarHBondContact O-CE2 3.48Å; M340-Y343 PolarHBondContact O-N 3.25Å; A341-Y343 PolarHBondContact O-N 2.98Å; A341-Y343 VanDerWaalsContact O-N 3.17Å; Y343-R346 PolarHBondContact O-N 3.41Å; Y343-R346 VanDerWaalsContact O-N 3.15Å; Y343-Y363 AromaticContact CD1-CD1 3.61Å; Y343-Y363 HydrophobicContact CD1-CD1 3.61Å; Y343-Y363 AromaticContact CD1-CD2 3.57Å; Y343-Y363 HydrophobicContact CD1-CD2 3.57Å; Y343-Y363 AromaticContact CD1-CE1 4Å; Y343-Y363 HydrophobicContact CD1-CE1 4Å; Y343-Y363 AromaticContact CD1-CE2 3.99Å; Y343-Y363 HydrophobicContact CD1-CE2 3.99Å; Y343-Y363 AromaticContact CD1-CG 3.35Å; Y343-Y363 HydrophobicContact CD1-CG 3.35Å; Y343-Y363 HydrophobicContact CE1-CD1 4.34Å; Y343-Y363 HydrophobicContact CE1-CD2 4.02Å; Y343-Y363 AromaticContact CE1-CG 3.75Å; Y343-Y363 HydrophobicContact CE1-CG 3.75Å; Y343-Y363 HydrophobicContact CG-CD2 4.21Å; Y343-Y363 HydrophobicContact CG-CE2 4.24Å; Y343-Y363 HydrophobicContact CG-CG 4.35Å; Y343-N365 VanDerWaalsContact OH-CG 3.32Å; Y343-N365 PolarHBondContact OH-ND2 2.96Å; Y343-N365 PolarHBondContact OH-OD1 3.42Å; Y343-N365 VanDerWaalsContact OH-OD1 3.09Å; Y343-I367 HydrophobicContact CE2-CG2 4.36Å; Y343-I367 WeakPolarHBondContact OH-CB 3.43Å; Y343-I367 WeakPolarHBondContact OH-CD1 3.42Å; Y343-W369 AromaticContact CD2-CD1 3.73Å; Y343-W369 AromaticContact CD2-NE1 3.14Å; Y343-W369 AromaticContact CE2-NE1 3.23Å; Y343-W369 AromaticContact CG-CD1 3.87Å; Y343-W369 AromaticContact CG-NE1 3.76Å; Y343-W369 AromaticContact CZ-NE1 3.88Å
344	I	74.8	Confident	80.2	Confident	28 Å²	28	59.9 Å²	59.9	14%	0.144	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	137.8	165	-60.9	174.1	0	0	0	107.6	L321 V323 L326 M340 A341 R346	L321-I344 WeakPolarHBondContact O-CG2 3.18Å; V323-I344 HydrophobicContact CB-CD1 4.2Å; V323-I344 HydrophobicContact CG2-CD1 3.48Å; V323-I344 VanDerWaalsContact CG2-CD1 3.48Å; L326-I344 HydrophobicContact CD2-CD1 3.75Å; L326-I344 HydrophobicContact CD2-CG1 3.59Å; M340-I344 PolarHBondContact O-N 3.32Å; A341-I344 PolarHBondContact O-N 3.31Å; I344-R346 PolarHBondContact O-N 2.93Å
345	C	55	Low	79.8	Confident	81 Å²	81	65.4 Å²	65.4	55%	0.547	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-1.1	-172.7	-62.5	0	0	0	0	115.9	C319	C319-C345 WeakPolarHBondContact O-CA 3.4Å; C319-C345 PolarHBondContact O-N 2.88Å
346	R	73.8	Confident	79.1	Confident	124 Å²	124	74.3 Å²	74.3	47%	0.468	36%	0.361	S	S	.	.			trans	-80	139	171.7	-62.6	-163.9	-177.5	-172.8	3.9	110.1	E342 Y343 I344 G348 Y363	E342-R346 VanDerWaalsContact O-CD 3.28Å; E342-R346 WeakPolarHBondContact O-CD 3.46Å; E342-R346 VanDerWaalsContact O-CZ 3.3Å; E342-R346 PolarHBondContact O-NE 3.01Å; Y343-R346 PolarHBondContact O-N 3.41Å; Y343-R346 VanDerWaalsContact O-N 3.15Å; I344-R346 PolarHBondContact O-N 2.93Å; R346-G348 PolarHBondContact O-N 3.5Å; R346-Y363 HydrophobicContact CB-CD1 4.09Å; R346-Y363 HydrophobicContact CB-CE1 3.86Å; R346-Y363 WeakPolarHBondContact O-CE1 3.37Å
347	I	76.2	Confident	78.3	Confident	93 Å²	93	72.7 Å²	72.7	48%	0.477	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115.1	172.3	-59	175.3	0	0	0	107.8	K316 K318	K316-I347 HydrophobicContact CB-CG2 4.06Å; K316-I347 HydrophobicContact CD-CG2 4.25Å; K318-I347 HydrophobicContact CB-CG1 4.41Å
348	G	81.4	Confident	78.3	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	170.1	169.4	0	0	0	0	0	110.8	K316 V317 R346 V361 Q362 Y363	K316-G348 WeakPolarHBondContact CA-O 3.43Å; V317-G348 PolarHBondContact N-O 3.25Å; V317-G348 PolarHBondContact O-N 3.28Å; V317-G348 VanDerWaalsContact O-O 3.11Å; R346-G348 PolarHBondContact O-N 3.5Å; G348-V361 VanDerWaalsContact CA-CG1 3.46Å; G348-Q362 CarbonylContact C-O 3.52Å; G348-Q362 WeakPolarHBondContact CA-O 3.45Å; G348-Y363 VanDerWaalsContact CA-CE1 3.46Å
349	T	87.5	Confident	78.7	Confident	39 Å²	39	65.6 Å²	65.6	24%	0.239	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.8	177.5	-48.1	0	0	0	0	108.6	G314 D315 K316 H351 V361 Q362	G314-T349 WeakPolarHBondContact O-CG2 3.35Å; D315-T349 CarbonylContact O-C 3.58Å; D315-T349 WeakPolarHBondContact O-CA 3.46Å; K316-T349 HydrophobicContact CD-CG2 4.33Å; K316-T349 PolarHBondContact NZ-OG1 3.32Å; T349-H351 PolarHBondContact O-N 2.8Å; T349-V361 CarbonylContact O-C 3.55Å; T349-V361 WeakPolarHBondContact O-CA 3.26Å; T349-Q362 PolarHBondContact N-O 3.35Å; T349-Q362 PolarHBondContact O-N 3.42Å
350	V	90.2	Very high	79.1	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	110.4	176.4	177.7	0	0	0	0	108.2	F311 Q312 G314 D315 V317 I353 V359	F311-V350 HydrophobicContact CB-CG2 4.35Å; F311-V350 HydrophobicContact CD1-CG2 4.41Å; Q312-V350 VanDerWaalsContact O-CB 3.31Å; Q312-V350 WeakPolarHBondContact O-CB 3.43Å; Q312-V350 WeakPolarHBondContact O-CG1 3.48Å; G314-V350 PolarHBondContact N-O 3.09Å; D315-V350 HydrophobicContact CB-CB 4.21Å; D315-V350 HydrophobicContact CB-CG2 3.87Å; D315-V350 WeakPolarHBondContact O-CG2 3.23Å; D315-V350 PolarHBondContact O-N 3.17Å; V317-V350 HydrophobicContact CB-CG2 4.25Å; V317-V350 HydrophobicContact CG1-CG2 3.53Å; V317-V350 HydrophobicContact CG2-CG2 3.63Å; V350-I353 HydrophobicContact CG1-CG1 4.45Å; V350-V359 HydrophobicContact CB-CG1 4.27Å; V350-V359 HydrophobicContact CG1-CG1 3.73Å; V350-V359 HydrophobicContact CG2-CG1 3.65Å
351	H	88.1	Confident	79.6	Confident	51 Å²	51	63.2 Å²	63.2	24%	0.236	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-39.1	179.6	174.5	-86.2	0	0	0	111.3	Q313 T349 R360 Q362 R368	Q313-H351 VanDerWaalsContact CD-O 3.29Å; Q313-H351 VanDerWaalsContact CG-O 3.31Å; Q313-H351 WeakPolarHBondContact CG-O 3.37Å; Q313-H351 PolarHBondContact NE2-O 2.78Å; Q313-H351 VanDerWaalsContact NE2-O 3.15Å; T349-H351 PolarHBondContact O-N 2.8Å; H351-R360 WeakPolarHBondContact CA-O 3.48Å; H351-R360 WeakPolarHBondContact CB-O 3.43Å; H351-R360 PolarHBondContact N-O 3.22Å; H351-Q362 HydrophobicContact CB-CB 3.94Å; H351-Q362 PolarHBondContact CD2-OE1 2.93Å; H351-R368 VanDerWaalsContact NE2-CZ 3.32Å; H351-R368 PolarHBondContact NE2-NH2 2.76Å; H351-R368 VanDerWaalsContact NE2-NH2 3.15Å
352	R	86.1	Confident	80.2	Confident	136 Å²	136	63.6 Å²	63.6	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	164	172.1	66	178.8	-173.4	173.9	3.2	111.3	R360	R352-R360 HydrophobicContact CG-CB 3.96Å; R352-R360 PolarHBondContact N-O 3.06Å; R352-R360 WeakPolarHBondContact O-CA 3.26Å; R352-R360 WeakPolarHBondContact O-CB 3.44Å; R352-R360 PolarHBondContact O-N 2.97Å
353	I	85.7	Confident	80.6	Confident	74 Å²	74	58.9 Å²	58.9	38%	0.379	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.4	169.5	-54.8	162.7	0	0	0	107.4	F311 V350 D358	F311-I353 HydrophobicContact CB-CD1 4.33Å; F311-I353 WeakPolarHBondContact O-CD1 3.4Å; V350-I353 HydrophobicContact CG1-CG1 4.45Å; I353-D358 CarbonylContact C-O 3.49Å; I353-D358 WeakPolarHBondContact CA-O 3.38Å
354	T	77.8	Confident	80	Confident	35 Å²	35	64.5 Å²	64.5	22%	0.215	32%	0.323	C	S	.	.			trans	-83.1	162.7	178.5	68.8	0	0	0	0	111	R356 G357 D358	T354-R356 PolarHBondContact O-N 3.45Å; T354-G357 PolarHBondContact O-N 3.31Å; T354-D358 HydrophobicContact CG2-CB 4.23Å; T354-D358 PolarHBondContact N-O 3.48Å; T354-D358 WeakPolarHBondContact OG1-CB 3.14Å; T354-D358 PolarHBondContact OG1-N 3.46Å; T354-D358 PolarHBondContact OG1-O 2.79Å
355	D	66.7	Low	79.8	Confident	176 Å²	176	66.8 Å²	66.8	94%	0.941	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-17.6	178.8	-32.9	-20.3	0	0	0	112.8
356	R	60.2	Low	80.7	Confident	218 Å²	218	68.6 Å²	68.6	82%	0.823	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-1.2	174.9	-63.2	-174	-180	-173.6	-1.2	114.1	T354	T354-R356 PolarHBondContact O-N 3.45Å
357	G	70.4	Confident	81.1	Confident	34 Å²	34	65.9 Å²	65.9	35%	0.351	33%	0.334	S	S	.	.	S	Bend	trans	91.7	-2.4	-178.1	0	0	0	0	0	115.6	T354	T354-G357 PolarHBondContact O-N 3.31Å
358	D	83.7	Confident	81.8	Confident	11 Å²	11	66.6 Å²	66.6	6%	0.059	33%	0.331	C	S	.	.			trans	-72.2	147.6	177.7	-60.2	-30.3	0	0	0	112.7	H333 I353 T354 T370	H333-D358 IonicContact CE1-OD1 3.44Å; H333-D358 IonicContact CG-OD1 3.66Å; H333-D358 IonicContact ND1-OD1 3.91Å; H333-D358 PolarHBondContact ND1-OD1 2.89Å; H333-D358 IonicContact ND1-OD2 2.69Å; I353-D358 CarbonylContact C-O 3.49Å; I353-D358 WeakPolarHBondContact CA-O 3.38Å; T354-D358 HydrophobicContact CG2-CB 4.23Å; T354-D358 PolarHBondContact N-O 3.48Å; T354-D358 WeakPolarHBondContact OG1-CB 3.14Å; T354-D358 PolarHBondContact OG1-N 3.46Å; T354-D358 PolarHBondContact OG1-O 2.79Å; D358-T370 HydrophobicContact CB-CG2 3.54Å
359	V	89.9	Confident	82.4	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.5	-172.7	-172.8	0	0	0	0	109.5	F311 V350 V361 F371 P373 L376	F311-V359 HydrophobicContact CB-CG1 4.4Å; F311-V359 HydrophobicContact CB-CG2 4.33Å; F311-V359 HydrophobicContact CD2-CG1 4.49Å; F311-V359 HydrophobicContact CD2-CG2 3.41Å; F311-V359 VanDerWaalsContact CD2-CG2 3.41Å; F311-V359 HydrophobicContact CE2-CG2 3.98Å; F311-V359 HydrophobicContact CG-CG1 4.36Å; F311-V359 HydrophobicContact CG-CG2 4.03Å; V350-V359 HydrophobicContact CB-CG1 4.27Å; V350-V359 HydrophobicContact CG1-CG1 3.73Å; V350-V359 HydrophobicContact CG2-CG1 3.65Å; V359-V361 HydrophobicContact CG1-CG2 4.02Å; V359-F371 PolarHBondContact N-O 2.82Å; V359-F371 PolarHBondContact O-N 3.36Å; V359-P373 HydrophobicContact CG2-CB 3.79Å; V359-L376 HydrophobicContact CB-CD1 3.5Å; V359-L376 VanDerWaalsContact CB-CD1 3.5Å; V359-L376 HydrophobicContact CG1-CD1 3.44Å; V359-L376 VanDerWaalsContact CG1-CD1 3.44Å; V359-L376 HydrophobicContact CG2-CD1 4.14Å
360	R	92	Very high	82.5	Confident	80 Å²	80	67.2 Å²	67.2	30%	0.302	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	115.2	175.8	-163.1	158.3	-178.8	98.9	-3.2	109.8	H351 R352 R368 W369 T370	H351-R360 WeakPolarHBondContact CA-O 3.48Å; H351-R360 WeakPolarHBondContact CB-O 3.43Å; H351-R360 PolarHBondContact N-O 3.22Å; R352-R360 HydrophobicContact CG-CB 3.96Å; R352-R360 PolarHBondContact N-O 3.06Å; R352-R360 WeakPolarHBondContact O-CA 3.26Å; R352-R360 WeakPolarHBondContact O-CB 3.44Å; R352-R360 PolarHBondContact O-N 2.97Å; R360-R368 HydrophobicContact CG-CB 4.47Å; R360-W369 CarbonylContact C-O 3.27Å; R360-W369 WeakPolarHBondContact CA-O 3.4Å; R360-T370 PolarHBondContact NH1-OG1 3.41Å
361	V	92.9	Very high	82.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	131	-174.5	-175.1	0	0	0	0	110.1	V317 G348 T349 V359 Y363 R368 W369 F371 L376	V317-V361 HydrophobicContact CG2-CB 4.37Å; V317-V361 HydrophobicContact CG2-CG1 3.75Å; V317-V361 HydrophobicContact CG2-CG2 3.62Å; G348-V361 VanDerWaalsContact CA-CG1 3.46Å; T349-V361 CarbonylContact O-C 3.55Å; T349-V361 WeakPolarHBondContact O-CA 3.26Å; V359-V361 HydrophobicContact CG1-CG2 4.02Å; V361-Y363 HydrophobicContact CB-CE2 4.07Å; V361-Y363 HydrophobicContact CG1-CD2 4.36Å; V361-Y363 HydrophobicContact CG1-CE1 4.31Å; V361-Y363 HydrophobicContact CG1-CE2 3.7Å; V361-R368 VanDerWaalsContact O-CA 3.28Å; V361-R368 WeakPolarHBondContact O-CA 3.44Å; V361-W369 PolarHBondContact N-O 2.95Å; V361-W369 PolarHBondContact O-N 2.96Å; V361-F371 HydrophobicContact CB-CD2 4.02Å; V361-F371 HydrophobicContact CB-CE2 4.1Å; V361-F371 HydrophobicContact CG2-CD2 3.77Å; V361-F371 HydrophobicContact CG2-CE2 4.28Å; V361-L376 HydrophobicContact CG2-CD1 3.43Å; V361-L376 VanDerWaalsContact CG2-CD1 3.43Å; V361-L376 HydrophobicContact CG2-CD2 4.08Å; V361-L376 HydrophobicContact CG2-CG 4.41Å
362	Q	91.9	Very high	82.2	Confident	43 Å²	43	67.1 Å²	67.1	20%	0.201	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135	175.1	178.5	167.6	-17.4	0	0	110.9	G348 T349 H351 N366 R368	G348-Q362 CarbonylContact C-O 3.52Å; G348-Q362 WeakPolarHBondContact CA-O 3.45Å; T349-Q362 PolarHBondContact N-O 3.35Å; T349-Q362 PolarHBondContact O-N 3.42Å; H351-Q362 HydrophobicContact CB-CB 3.94Å; H351-Q362 PolarHBondContact CD2-OE1 2.93Å; Q362-N366 PolarHBondContact NE2-OD1 3.01Å; Q362-R368 HydrophobicContact CB-CG 4.01Å; Q362-R368 HydrophobicContact CG-CG 4.15Å; Q362-R368 VanDerWaalsContact OE1-NH2 3.08Å
363	Y	87.8	Confident	81.8	Confident	8 Å²	8	62.5 Å²	62.5	3%	0.031	32%	0.318	C	S	.	.			trans	-110	169.7	178.7	-64.7	-89	0	0	0	111.8	Y343 R346 G348 V361 N365 N366 I367 W369 F371	Y343-Y363 AromaticContact CD1-CD1 3.61Å; Y343-Y363 HydrophobicContact CD1-CD1 3.61Å; Y343-Y363 AromaticContact CD1-CD2 3.57Å; Y343-Y363 HydrophobicContact CD1-CD2 3.57Å; Y343-Y363 AromaticContact CD1-CE1 4Å; Y343-Y363 HydrophobicContact CD1-CE1 4Å; Y343-Y363 AromaticContact CD1-CE2 3.99Å; Y343-Y363 HydrophobicContact CD1-CE2 3.99Å; Y343-Y363 AromaticContact CD1-CG 3.35Å; Y343-Y363 HydrophobicContact CD1-CG 3.35Å; Y343-Y363 HydrophobicContact CE1-CD1 4.34Å; Y343-Y363 HydrophobicContact CE1-CD2 4.02Å; Y343-Y363 AromaticContact CE1-CG 3.75Å; Y343-Y363 HydrophobicContact CE1-CG 3.75Å; Y343-Y363 HydrophobicContact CG-CD2 4.21Å; Y343-Y363 HydrophobicContact CG-CE2 4.24Å; Y343-Y363 HydrophobicContact CG-CG 4.35Å; R346-Y363 HydrophobicContact CB-CD1 4.09Å; R346-Y363 HydrophobicContact CB-CE1 3.86Å; R346-Y363 WeakPolarHBondContact O-CE1 3.37Å; G348-Y363 VanDerWaalsContact CA-CE1 3.46Å; V361-Y363 HydrophobicContact CB-CE2 4.07Å; V361-Y363 HydrophobicContact CG1-CD2 4.36Å; V361-Y363 HydrophobicContact CG1-CE1 4.31Å; V361-Y363 HydrophobicContact CG1-CE2 3.7Å; Y363-N365 PolarHBondContact O-N 2.84Å; Y363-N366 PolarHBondContact O-N 2.74Å; Y363-I367 PolarHBondContact N-O 3.24Å; Y363-W369 HydrophobicContact CE2-CB 4.49Å; Y363-W369 AromaticContact CE2-CD1 3.89Å; Y363-F371 HydrophobicContact CE2-CE2 4.02Å; Y363-F371 VanDerWaalsContact OH-CE2 3.32Å; Y363-F371 WeakPolarHBondContact OH-CE2 3.4Å; Y363-F371 WeakPolarHBondContact OH-CZ 3.48Å
364	S	68.4	Low	80.8	Confident	122 Å²	122	61.5 Å²	61.5	85%	0.853	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18	-173.4	48.8	0	0	0	0	115.2
365	N	69.6	Low	80.6	Confident	75 Å²	75	60 Å²	60	40%	0.401	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	20.4	174.6	57.5	5.5	0	0	0	114.1	Y343 Y363 I367	Y343-N365 VanDerWaalsContact OH-CG 3.32Å; Y343-N365 PolarHBondContact OH-ND2 2.96Å; Y343-N365 PolarHBondContact OH-OD1 3.42Å; Y343-N365 VanDerWaalsContact OH-OD1 3.09Å; Y363-N365 PolarHBondContact O-N 2.84Å; N365-I367 PolarHBondContact O-N 2.81Å; N365-I367 WeakPolarHBondContact OD1-CB 3.16Å; N365-I367 PolarHBondContact OD1-N 3.32Å
366	N	74.4	Confident	81	Confident	120 Å²	120	52.1 Å²	52.1	64%	0.642	28%	0.275	S	S	*	.	S	Bend	trans	59.4	9.3	-175.8	-73.2	-32.5	0	0	0	115.3	Q362 Y363	Q362-N366 PolarHBondContact NE2-OD1 3.01Å; Y363-N366 PolarHBondContact O-N 2.74Å
367	I	81.5	Confident	81.4	Confident	67 Å²	67	45 Å²	45	34%	0.344	26%	0.255	S	S	.	.			trans	-76	138.9	172.8	-66.9	175.7	0	0	0	108.8	Y343 Y363 N365 W369	Y343-I367 HydrophobicContact CE2-CG2 4.36Å; Y343-I367 WeakPolarHBondContact OH-CB 3.43Å; Y343-I367 WeakPolarHBondContact OH-CD1 3.42Å; Y363-I367 PolarHBondContact N-O 3.24Å; N365-I367 PolarHBondContact O-N 2.81Å; N365-I367 WeakPolarHBondContact OD1-CB 3.16Å; N365-I367 PolarHBondContact OD1-N 3.32Å; I367-W369 HydrophobicContact CG2-CD2 4.42Å; I367-W369 HydrophobicContact CG2-CZ2 4.05Å
368	R	90.9	Very high	81.4	Confident	107 Å²	107	47.4 Å²	47.4	40%	0.404	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.4	-175.5	-64.7	177.4	178.9	150.6	-2.5	110.3	H351 R360 V361 Q362	H351-R368 VanDerWaalsContact NE2-CZ 3.32Å; H351-R368 PolarHBondContact NE2-NH2 2.76Å; H351-R368 VanDerWaalsContact NE2-NH2 3.15Å; R360-R368 HydrophobicContact CG-CB 4.47Å; V361-R368 VanDerWaalsContact O-CA 3.28Å; V361-R368 WeakPolarHBondContact O-CA 3.44Å; Q362-R368 HydrophobicContact CB-CG 4.01Å; Q362-R368 HydrophobicContact CG-CG 4.15Å; Q362-R368 VanDerWaalsContact OE1-NH2 3.08Å
369	W	93.8	Very high	80.7	Confident	38 Å²	38	48.2 Å²	48.2	14%	0.144	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.1	176.2	-66.2	121.1	0	0	0	109.6	N337 K339 M340 Y343 R360 V361 Y363 I367 F371	N337-W369 HydrophobicContact CB-CH2 3.62Å; N337-W369 HydrophobicContact CB-CZ3 3.58Å; K339-W369 HydrophobicContact CB-CH2 4.25Å; K339-W369 HydrophobicContact CB-CZ2 3.86Å; M340-W369 HydrophobicContact CB-CD2 4.49Å; M340-W369 HydrophobicContact CE-CB 4.21Å; M340-W369 HydrophobicContact CE-CE3 4.41Å; M340-W369 HydrophobicContact CG-CD2 3.33Å; M340-W369 HydrophobicContact CG-CE3 3.3Å; M340-W369 HydrophobicContact CG-CG 3.9Å; M340-W369 HydrophobicContact CG-CH2 3.91Å; M340-W369 HydrophobicContact CG-CZ2 3.92Å; M340-W369 HydrophobicContact CG-CZ3 3.61Å; M340-W369 HydrophobicContact SD-CD2 4.17Å; M340-W369 HydrophobicContact SD-CE3 3.64Å; M340-W369 HydrophobicContact SD-CZ3 4.02Å; Y343-W369 AromaticContact CD2-CD1 3.73Å; Y343-W369 AromaticContact CD2-NE1 3.14Å; Y343-W369 AromaticContact CE2-NE1 3.23Å; Y343-W369 AromaticContact CG-CD1 3.87Å; Y343-W369 AromaticContact CG-NE1 3.76Å; Y343-W369 AromaticContact CZ-NE1 3.88Å; R360-W369 CarbonylContact C-O 3.27Å; R360-W369 WeakPolarHBondContact CA-O 3.4Å; V361-W369 PolarHBondContact N-O 2.95Å; V361-W369 PolarHBondContact O-N 2.96Å; Y363-W369 HydrophobicContact CE2-CB 4.49Å; Y363-W369 AromaticContact CE2-CD1 3.89Å; I367-W369 HydrophobicContact CG2-CD2 4.42Å; I367-W369 HydrophobicContact CG2-CZ2 4.05Å; W369-F371 HydrophobicContact CB-CD2 4.03Å; W369-F371 HydrophobicContact CB-CE2 3.42Å; W369-F371 VanDerWaalsContact CB-CE2 3.42Å; W369-F371 HydrophobicContact CB-CZ 3.97Å; W369-F371 HydrophobicContact CG-CE2 4.4Å
370	T	90.9	Very high	79.2	Confident	15 Å²	15	53.8 Å²	53.8	9%	0.092	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.1	169.7	-69.5	0	0	0	0	107.2	Q330 D358 R360	Q330-T370 PolarHBondContact NE2-O 2.95Å; D358-T370 HydrophobicContact CB-CG2 3.54Å; R360-T370 PolarHBondContact NH1-OG1 3.41Å
371	F	88.5	Confident	77.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147.3	177.1	-70	-92.3	0	0	0	110.2	C319 L326 Q330 M340 V359 V361 Y363 W369 A375 L376	C319-F371 HydrophobicContact CB-CD1 4.48Å; C319-F371 HydrophobicContact CB-CE1 4.08Å; L326-F371 HydrophobicContact CD1-CD1 3.85Å; L326-F371 HydrophobicContact CD1-CE1 4.08Å; L326-F371 HydrophobicContact CD2-CD1 4.47Å; L326-F371 HydrophobicContact CD2-CE1 3.86Å; Q330-F371 VanDerWaalsContact OE1-CA 3.25Å; M340-F371 HydrophobicContact CE-CD1 4.24Å; M340-F371 HydrophobicContact CE-CE1 3.95Å; M340-F371 HydrophobicContact CE-CZ 4.21Å; V359-F371 PolarHBondContact N-O 2.82Å; V359-F371 PolarHBondContact O-N 3.36Å; V361-F371 HydrophobicContact CB-CD2 4.02Å; V361-F371 HydrophobicContact CB-CE2 4.1Å; V361-F371 HydrophobicContact CG2-CD2 3.77Å; V361-F371 HydrophobicContact CG2-CE2 4.28Å; Y363-F371 HydrophobicContact CE2-CE2 4.02Å; Y363-F371 VanDerWaalsContact OH-CE2 3.32Å; Y363-F371 WeakPolarHBondContact OH-CE2 3.4Å; Y363-F371 WeakPolarHBondContact OH-CZ 3.48Å; W369-F371 HydrophobicContact CB-CD2 4.03Å; W369-F371 HydrophobicContact CB-CE2 3.42Å; W369-F371 VanDerWaalsContact CB-CE2 3.42Å; W369-F371 HydrophobicContact CB-CZ 3.97Å; W369-F371 HydrophobicContact CG-CE2 4.4Å; F371-A375 HydrophobicContact CD1-CB 4.47Å; F371-L376 HydrophobicContact CB-CD1 3.81Å; F371-L376 HydrophobicContact CB-CD2 4.05Å; F371-L376 HydrophobicContact CB-CG 3.79Å; F371-L376 HydrophobicContact CD1-CD2 4.21Å; F371-L376 HydrophobicContact CD2-CD1 4.48Å; F371-L376 HydrophobicContact CD2-CD2 4Å; F371-L376 HydrophobicContact CE2-CD2 4.48Å; F371-L376 HydrophobicContact CG-CD1 4.37Å; F371-L376 HydrophobicContact CG-CD2 3.84Å; F371-L376 HydrophobicContact CG-CG 4.17Å
372	H	83.8	Confident	76.4	Confident	49 Å²	49	56.4 Å²	56.4	23%	0.227	31%	0.313	C	S	.	.			trans	-53.5	134.1	157.2	-178.8	-83.8	0	0	0	109.1	H333 G374 A375	H333-H372 HydrophobicContact CB-CB 3.92Å; H333-H372 AromaticContact CD2-CD2 3.6Å; H333-H372 AromaticContact CE1-CD2 3.61Å; H333-H372 AromaticContact CG-CD2 3.59Å; H333-H372 AromaticContact ND1-CD2 3.59Å; H333-H372 AromaticContact NE2-CD2 3.63Å; H372-G374 VanDerWaalsContact C-N 3.3Å; H372-G374 PolarHBondContact CE1-N 2.94Å; H372-G374 WeakPolarHBondContact ND1-CA 3.33Å; H372-G374 PolarHBondContact ND1-N 3.46Å; H372-G374 PolarHBondContact O-N 3.27Å; H372-A375 HydrophobicContact CB-CB 4.32Å; H372-A375 VanDerWaalsContact O-CB 3.26Å; H372-A375 WeakPolarHBondContact O-CB 3.35Å; H372-A375 PolarHBondContact O-N 3.37Å
373	P	76.7	Confident	75.1	Confident	40 Å²	40	55.9 Å²	55.9	26%	0.26	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-57.9	-41.2	-176.3	18.3	-29	0	0	0	112.5	F311 V359 A375 L376	F311-P373 HydrophobicContact CD2-CB 4.26Å; F311-P373 HydrophobicContact CE2-CB 3.94Å; F311-P373 WeakPolarHBondContact CE2-O 3.43Å; V359-P373 HydrophobicContact CG2-CB 3.79Å; P373-A375 PolarHBondContact O-N 3.14Å; P373-A375 VanDerWaalsContact O-N 3.13Å; P373-L376 PolarHBondContact O-N 3.35Å
374	G	63.9	Low	74.3	Confident	53 Å²	53	60.5 Å²	60.5	55%	0.546	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-67.7	-5.7	175	0	0	0	0	0	115.2	H372 L376	H372-G374 VanDerWaalsContact C-N 3.3Å; H372-G374 PolarHBondContact CE1-N 2.94Å; H372-G374 WeakPolarHBondContact ND1-CA 3.33Å; H372-G374 PolarHBondContact ND1-N 3.46Å; H372-G374 PolarHBondContact O-N 3.27Å; G374-L376 VanDerWaalsContact C-N 3.34Å
375	A	75.1	Confident	74.2	Confident	3 Å²	3	56.2 Å²	56.2	3%	0.025	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-86.7	-7.4	171.3	0	0	0	0	0	112.9	C319 L321 L326 M329 F371 H372 P373	C319-A375 VanDerWaalsContact CA-O 3.26Å; C319-A375 WeakPolarHBondContact CA-O 3.49Å; C319-A375 WeakPolarHBondContact CB-O 3.44Å; C319-A375 PolarHBondContact SG-O 2.74Å; L321-A375 HydrophobicContact CD1-CB 3.8Å; L326-A375 HydrophobicContact CD1-CB 3.78Å; M329-A375 HydrophobicContact CE-CB 4.33Å; F371-A375 HydrophobicContact CD1-CB 4.47Å; H372-A375 HydrophobicContact CB-CB 4.32Å; H372-A375 VanDerWaalsContact O-CB 3.26Å; H372-A375 WeakPolarHBondContact O-CB 3.35Å; H372-A375 PolarHBondContact O-N 3.37Å; P373-A375 PolarHBondContact O-N 3.14Å; P373-A375 VanDerWaalsContact O-N 3.13Å
376	L	74.9	Confident	74.8	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.058	32%	0.318	C	S	.	.			trans	-115.4	146.7	-174.1	-64.4	175.5	0	0	0	111.6	F311 V317 C319 V359 V361 F371 P373 G374	F311-L376 HydrophobicContact CE1-CB 4.17Å; F311-L376 HydrophobicContact CE2-CB 4.39Å; F311-L376 HydrophobicContact CZ-CB 3.77Å; F311-L376 WeakPolarHBondContact CZ-O 3.4Å; V317-L376 HydrophobicContact CB-CB 4.31Å; V317-L376 HydrophobicContact CB-CD2 4.5Å; V317-L376 HydrophobicContact CG2-CD1 4.14Å; V317-L376 HydrophobicContact CG2-CD2 4.28Å; C319-L376 HydrophobicContact CB-CD2 4.1Å; V359-L376 HydrophobicContact CB-CD1 3.5Å; V359-L376 VanDerWaalsContact CB-CD1 3.5Å; V359-L376 HydrophobicContact CG1-CD1 3.44Å; V359-L376 VanDerWaalsContact CG1-CD1 3.44Å; V359-L376 HydrophobicContact CG2-CD1 4.14Å; V361-L376 HydrophobicContact CG2-CD1 3.43Å; V361-L376 VanDerWaalsContact CG2-CD1 3.43Å; V361-L376 HydrophobicContact CG2-CD2 4.08Å; V361-L376 HydrophobicContact CG2-CG 4.41Å; F371-L376 HydrophobicContact CB-CD1 3.81Å; F371-L376 HydrophobicContact CB-CD2 4.05Å; F371-L376 HydrophobicContact CB-CG 3.79Å; F371-L376 HydrophobicContact CD1-CD2 4.21Å; F371-L376 HydrophobicContact CD2-CD1 4.48Å; F371-L376 HydrophobicContact CD2-CD2 4Å; F371-L376 HydrophobicContact CE2-CD2 4.48Å; F371-L376 HydrophobicContact CG-CD1 4.37Å; F371-L376 HydrophobicContact CG-CD2 3.84Å; F371-L376 HydrophobicContact CG-CG 4.17Å; P373-L376 PolarHBondContact O-N 3.35Å; G374-L376 VanDerWaalsContact C-N 3.34Å
377	T	68.7	Low	75.2	Confident	67 Å²	67	52.3 Å²	52.3	41%	0.411	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129	174.9	-47.4	0	0	0	0	108.7	V317 K318	V317-T377 CarbonylContact C-O 3.58Å; V317-T377 WeakPolarHBondContact CA-O 3.44Å; K318-T377 PolarHBondContact N-O 3.14Å; K318-T377 PolarHBondContact O-N 2.84Å
378	K	70.3	Confident	75.5	Confident	86 Å²	86	49.1 Å²	49.1	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	143.9	175.6	-172.1	170.2	178	160	0	110.7	F311 D315 K316	F311-K378 HydrophobicContact CE1-CB 4.26Å; D315-K378 HydrophobicContact CB-CD 4.44Å; D315-K378 WeakPolarHBondContact OD1-CE 3.45Å; D315-K378 IonicContact OD1-NZ 3.1Å; D315-K378 PolarHBondContact OD1-NZ 3.3Å; D315-K378 WeakPolarHBondContact OD2-CE 3.28Å; D315-K378 IonicContact OD2-NZ 2.87Å; D315-K378 PolarHBondContact OD2-NZ 2.88Å; K316-K378 CarbonylContact O-C 3.45Å; K316-K378 WeakPolarHBondContact O-CA 3.14Å
379	V	69.6	Low	75.4	Confident	27 Å²	27	47.1 Å²	47.1	16%	0.164	28%	0.278	C	S	.	.			trans	-129	120.3	-175.1	-174.1	0	0	0	0	109.7	K316 K318 T381	K316-V379 HydrophobicContact CB-CB 4.45Å; K316-V379 PolarHBondContact O-N 3.22Å; K318-V379 HydrophobicContact CD-CG2 4.01Å; K318-V379 HydrophobicContact CG-CG2 3.86Å; V379-T381 HydrophobicContact CG1-CG2 3.62Å
380	N	58.4	Low	75.2	Confident	119 Å²	119	45.3 Å²	45.3	64%	0.636	27%	0.271	S	S	*	.			trans	-94.9	122	167	-65.8	-2.8	0	0	0	107.9
381	T	56.6	Low	75	Confident	96 Å²	96	47.3 Å²	47.3	59%	0.589	28%	0.281	S	S	*	.			trans	-127.2	122.2	-177.9	44	0	0	0	0	110.2	V379	V379-T381 HydrophobicContact CG1-CG2 3.62Å
382	F	69.1	Low	74.7	Confident	39 Å²	39	52.2 Å²	52.2	17%	0.171	31%	0.307	C	S	.	.			trans	-112.7	145.4	171.4	-58.7	-84.7	0	0	0	109.6	E386 V388 L430 P443 A448	F382-E386 VanDerWaalsContact CA-OE2 3.26Å; F382-E386 WeakPolarHBondContact CA-OE2 3.33Å; F382-V388 HydrophobicContact CD1-CG1 3.82Å; F382-V388 HydrophobicContact CE1-CG1 4.14Å; F382-L430 HydrophobicContact CB-CD1 3.85Å; F382-L430 HydrophobicContact CB-CD2 3.97Å; F382-L430 HydrophobicContact CD1-CD1 4.45Å; F382-L430 HydrophobicContact CD2-CD1 3.55Å; F382-L430 HydrophobicContact CE2-CD1 4.15Å; F382-L430 HydrophobicContact CG-CD1 3.71Å; F382-P443 HydrophobicContact CD2-CB 4.08Å; F382-P443 HydrophobicContact CE2-CB 3.81Å; F382-A448 HydrophobicContact CD1-CB 4.25Å; F382-A448 HydrophobicContact CE1-CB 3.93Å
383	G	64.1	Low	74.7	Confident	32 Å²	32	55.8 Å²	55.8	33%	0.33	32%	0.324	S	S	.	.			trans	-104.7	153.4	-178.9	0	0	0	0	0	113.7	G385 E386 V421	G383-G385 PolarHBondContact O-N 3.1Å; G383-E386 PolarHBondContact N-OE2 3.35Å; G383-E386 VanDerWaalsContact O-CB 3.24Å; G383-E386 WeakPolarHBondContact O-CB 3.48Å; G383-E386 PolarHBondContact O-N 3.01Å; G383-E386 VanDerWaalsContact O-N 3.15Å; G383-V421 WeakPolarHBondContact O-CB 3.22Å
384	V	70.9	Confident	74.8	Confident	104 Å²	104	56.7 Å²	56.7	63%	0.63	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	124.5	168.8	178.3	0	0	0	0	109	L422 V424	V384-L422 WeakPolarHBondContact CG1-O 3.45Å; V384-V424 HydrophobicContact CG2-CG2 3.98Å
385	G	67.3	Low	75.6	Confident	33 Å²	33	60.1 Å²	60.1	34%	0.34	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.7	-9.8	-176.6	0	0	0	0	0	114.7	G383 V421	G383-G385 PolarHBondContact O-N 3.1Å; G385-V421 WeakPolarHBondContact CA-O 3.16Å; G385-V421 PolarHBondContact N-O 3.47Å
386	E	80.8	Confident	75.7	Confident	61 Å²	61	62.3 Å²	62.3	29%	0.285	34%	0.339	S	S	.	.			trans	-69.1	140.5	177.8	-162.9	170.1	179.7	0	0	110.8	F382 G383 V421 A448	F382-E386 VanDerWaalsContact CA-OE2 3.26Å; F382-E386 WeakPolarHBondContact CA-OE2 3.33Å; G383-E386 PolarHBondContact N-OE2 3.35Å; G383-E386 VanDerWaalsContact O-CB 3.24Å; G383-E386 WeakPolarHBondContact O-CB 3.48Å; G383-E386 PolarHBondContact O-N 3.01Å; G383-E386 VanDerWaalsContact O-N 3.15Å; E386-V421 WeakPolarHBondContact O-CG2 3.24Å; E386-V421 PolarHBondContact O-N 2.91Å; E386-A448 WeakPolarHBondContact OE1-CB 3.35Å
387	L	82.6	Confident	75.8	Confident	51 Å²	51	61.8 Å²	61.8	27%	0.267	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	136.3	170.2	-68.9	-168.5	0	0	0	108.9	V418 G419 K420 Q449 A451	L387-V418 HydrophobicContact CB-CG1 3.86Å; L387-V418 HydrophobicContact CD1-CG1 4.06Å; L387-V418 HydrophobicContact CD2-CG1 4.47Å; L387-V418 HydrophobicContact CG-CG1 4.36Å; L387-G419 WeakPolarHBondContact CA-O 3.47Å; L387-K420 HydrophobicContact CD2-CB 3.79Å; L387-K420 HydrophobicContact CD2-CG 4.16Å; L387-Q449 HydrophobicContact CB-CB 3.88Å; L387-Q449 WeakPolarHBondContact O-CA 3.09Å; L387-Q449 WeakPolarHBondContact O-CB 3.32Å; L387-Q449 PolarHBondContact O-N 2.86Å; L387-Q449 VanDerWaalsContact O-O 3.1Å; L387-A451 HydrophobicContact CB-CB 3.77Å; L387-A451 HydrophobicContact CD1-CB 3.19Å; L387-A451 HydrophobicContact CG-CB 3.26Å
388	V	87.6	Confident	76.3	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139	-179.9	-67.3	0	0	0	0	109.4	F382 V418 G419 V421 V432 L446 T447	F382-V388 HydrophobicContact CD1-CG1 3.82Å; F382-V388 HydrophobicContact CE1-CG1 4.14Å; V388-V418 WeakPolarHBondContact O-CA 3.41Å; V388-G419 PolarHBondContact N-O 2.98Å; V388-G419 PolarHBondContact O-N 3.47Å; V388-V421 HydrophobicContact CB-CG2 4.34Å; V388-V421 HydrophobicContact CG1-CG2 3.67Å; V388-V421 HydrophobicContact CG2-CG2 3.67Å; V388-V432 HydrophobicContact CG2-CB 4.44Å; V388-V432 HydrophobicContact CG2-CG1 3.68Å; V388-V432 HydrophobicContact CG2-CG2 3.81Å; V388-L446 HydrophobicContact CB-CB 4.23Å; V388-L446 HydrophobicContact CB-CD2 4.36Å; V388-L446 HydrophobicContact CG2-CD1 4.1Å; V388-L446 HydrophobicContact CG2-CD2 3.98Å; V388-L446 HydrophobicContact CG2-CG 4.44Å; V388-T447 CarbonylContact C-O 3.37Å; V388-T447 VanDerWaalsContact CA-O 3.3Å; V388-T447 WeakPolarHBondContact CA-O 3.17Å
389	K	89.3	Confident	76.8	Confident	65 Å²	65	66 Å²	66	28%	0.283	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.1	174	-168	-170.7	171.3	-153.8	0	109.4	D392 G416 Q417 V418 L446 T447 Q449	K389-D392 WeakPolarHBondContact CE-OD1 3.49Å; K389-D392 IonicContact NZ-OD1 3.52Å; K389-D392 PolarHBondContact NZ-OD1 2.64Å; K389-D392 IonicContact NZ-OD2 2.8Å; K389-D392 PolarHBondContact NZ-OD2 3.07Å; K389-G416 WeakPolarHBondContact CE-O 3.2Å; K389-Q417 WeakPolarHBondContact CA-O 3.48Å; K389-V418 HydrophobicContact CB-CG2 4.2Å; K389-V418 HydrophobicContact CG-CG2 4.18Å; K389-L446 CarbonylContact O-C 3.55Å; K389-L446 WeakPolarHBondContact O-CA 3.28Å; K389-T447 PolarHBondContact N-O 3.17Å; K389-T447 PolarHBondContact O-N 2.9Å; K389-Q449 HydrophobicContact CB-CG 4.26Å
390	V	91	Very high	76.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	140.7	171.5	-169.2	0	0	0	0	109.4	V397 V414 L415 G416 Q417 F434 F441 L446	V390-V397 HydrophobicContact CG1-CG2 4.44Å; V390-V414 WeakPolarHBondContact CB-O 3.4Å; V390-V414 WeakPolarHBondContact CG2-O 3.32Å; V390-L415 HydrophobicContact CG1-CD2 4.07Å; V390-G416 VanDerWaalsContact O-CA 3.22Å; V390-G416 WeakPolarHBondContact O-CA 3.31Å; V390-G416 PolarHBondContact O-N 2.86Å; V390-Q417 PolarHBondContact N-O 3.5Å; V390-F434 HydrophobicContact CG2-CE1 3.92Å; V390-F434 HydrophobicContact CG2-CE2 4.34Å; V390-F434 HydrophobicContact CG2-CZ 3.4Å; V390-F434 VanDerWaalsContact CG2-CZ 3.4Å; V390-F441 HydrophobicContact CG1-CD1 4.34Å; V390-F441 HydrophobicContact CG1-CE1 3.68Å; V390-F441 HydrophobicContact CG1-CZ 4.14Å; V390-F441 HydrophobicContact CG2-CE1 4.16Å; V390-F441 HydrophobicContact CG2-CE2 4.25Å; V390-F441 HydrophobicContact CG2-CZ 3.87Å; V390-L446 HydrophobicContact CB-CD2 4.34Å; V390-L446 HydrophobicContact CG2-CD2 3.84Å
391	L	85.9	Confident	77.9	Confident	56 Å²	56	61.2 Å²	61.2	29%	0.293	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-53.9	147.3	171.2	-68.4	177.6	0	0	0	111.2	V397 L400 L415 G416 C445	L391-V397 HydrophobicContact CB-CG2 3.81Å; L391-L400 HydrophobicContact CD1-CD1 4.36Å; L391-L415 WeakPolarHBondContact O-CD2 3.44Å; L391-G416 PolarHBondContact O-N 3.41Å; L391-C445 WeakPolarHBondContact CG-O 3.42Å; L391-C445 PolarHBondContact N-O 3.2Å
392	D	82.1	Confident	78.4	Confident	104 Å²	104	59.5 Å²	59.5	56%	0.556	31%	0.313	S	S	*	.	S	Bend	trans	-83.3	-17.7	-171.3	-46.7	-20.3	0	0	0	111.8	K389 G416	K389-D392 WeakPolarHBondContact CE-OD1 3.49Å; K389-D392 IonicContact NZ-OD1 3.52Å; K389-D392 PolarHBondContact NZ-OD1 2.64Å; K389-D392 IonicContact NZ-OD2 2.8Å; K389-D392 PolarHBondContact NZ-OD2 3.07Å; D392-G416 WeakPolarHBondContact OD1-CA 3.34Å
393	E	83.1	Confident	77.8	Confident	124 Å²	124	60.5 Å²	60.5	58%	0.579	34%	0.335	S	S	*	.			trans	-101.3	108.5	-166.6	-163.3	176.6	-157.2	0	0	112.6	E395 N396 V397	E393-E395 PolarHBondContact O-N 3.44Å; E393-N396 HydrophobicContact CB-CB 4.49Å; E393-N396 PolarHBondContact O-N 3.49Å; E393-N396 PolarHBondContact OE2-ND2 3.09Å; E393-V397 PolarHBondContact O-N 3.23Å
394	L	80.4	Confident	78	Confident	58 Å²	58	61.7 Å²	61.7	30%	0.304	33%	0.332	S	S	.	.	H	α-helix	trans	-53	-49.3	-171.6	177.8	67.7	0	0	0	114.4	N396 V397 K398 W407 L415	L394-N396 VanDerWaalsContact C-N 3.31Å; L394-N396 PolarHBondContact O-N 3.38Å; L394-V397 PolarHBondContact O-N 3.37Å; L394-K398 HydrophobicContact CD1-CD 4.48Å; L394-K398 HydrophobicContact CD1-CG 4.48Å; L394-K398 HydrophobicContact CG-CD 4.37Å; L394-K398 WeakPolarHBondContact O-CG 3.48Å; L394-K398 PolarHBondContact O-N 3.41Å; L394-W407 HydrophobicContact CD1-CH2 3.55Å; L394-W407 HydrophobicContact CD1-CZ2 3.37Å; L394-W407 HydrophobicContact CD1-CZ3 4.42Å; L394-L415 HydrophobicContact CB-CD1 3.86Å; L394-L415 HydrophobicContact CD1-CD1 3.65Å; L394-L415 HydrophobicContact CG-CD1 4.36Å
395	E	80.1	Confident	77.7	Confident	125 Å²	125	59.5 Å²	59.5	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-68.1	-31.4	-174.8	-68.8	-57.5	132	0	0	112.5	E393 K398 R399	E393-E395 PolarHBondContact O-N 3.44Å; E395-K398 IonicContact OE1-NZ 2.61Å; E395-R399 WeakPolarHBondContact O-CB 2.94Å; E395-R399 PolarHBondContact O-N 2.99Å
396	N	77.5	Confident	78.3	Confident	50 Å²	50	63.1 Å²	63.1	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-72.4	-41.9	175.4	-89.5	-33.3	0	0	0	111.8	E393 L394 R399 L400	E393-N396 HydrophobicContact CB-CB 4.49Å; E393-N396 PolarHBondContact O-N 3.49Å; E393-N396 PolarHBondContact OE2-ND2 3.09Å; L394-N396 VanDerWaalsContact C-N 3.31Å; L394-N396 PolarHBondContact O-N 3.38Å; N396-R399 PolarHBondContact O-N 3.28Å; N396-R399 PolarHBondContact OD1-NH2 3.34Å; N396-R399 VanDerWaalsContact OD1-NH2 3.13Å; N396-L400 WeakPolarHBondContact O-CB 3.42Å; N396-L400 VanDerWaalsContact O-CG 3.27Å; N396-L400 WeakPolarHBondContact O-CG 3.22Å; N396-L400 PolarHBondContact O-N 2.95Å
397	V	75.7	Confident	78.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-42	176	177.2	0	0	0	0	111.1	V390 L391 E393 L394 R399 L400 Q401 W407 L415 F441	V390-V397 HydrophobicContact CG1-CG2 4.44Å; L391-V397 HydrophobicContact CB-CG2 3.81Å; E393-V397 PolarHBondContact O-N 3.23Å; L394-V397 PolarHBondContact O-N 3.37Å; V397-R399 PolarHBondContact O-N 3.33Å; V397-L400 PolarHBondContact O-N 2.98Å; V397-Q401 HydrophobicContact CG1-CG 4.23Å; V397-Q401 VanDerWaalsContact O-CB 3.26Å; V397-Q401 WeakPolarHBondContact O-CB 3.42Å; V397-Q401 WeakPolarHBondContact O-CG 3.41Å; V397-Q401 PolarHBondContact O-N 3.35Å; V397-W407 HydrophobicContact CG1-CE3 4.09Å; V397-W407 HydrophobicContact CG1-CZ3 3.86Å; V397-L415 HydrophobicContact CB-CD2 3.98Å; V397-L415 HydrophobicContact CG1-CD2 4.07Å; V397-L415 HydrophobicContact CG2-CD2 3.71Å; V397-F441 HydrophobicContact CG1-CE1 4.43Å
398	K	79.5	Confident	78.6	Confident	67 Å²	67	62.8 Å²	62.8	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-56.8	-48.1	174.7	-80.3	-179.6	176.2	174.6	0	112.5	L394 E395 Q401 A402 W407	L394-K398 HydrophobicContact CD1-CD 4.48Å; L394-K398 HydrophobicContact CD1-CG 4.48Å; L394-K398 HydrophobicContact CG-CD 4.37Å; L394-K398 WeakPolarHBondContact O-CG 3.48Å; L394-K398 PolarHBondContact O-N 3.41Å; E395-K398 IonicContact OE1-NZ 2.61Å; K398-Q401 PolarHBondContact O-N 3.33Å; K398-A402 PolarHBondContact O-N 2.95Å; K398-W407 HydrophobicContact CD-CG 4.45Å; K398-W407 VanDerWaalsContact CE-NE1 3.34Å; K398-W407 HydrophobicContact CG-CB 4.13Å; K398-W407 HydrophobicContact CG-CD2 3.69Å; K398-W407 HydrophobicContact CG-CE3 4.27Å; K398-W407 HydrophobicContact CG-CG 3.58Å
399	R	80.3	Confident	78.6	Confident	173 Å²	173	68.8 Å²	68.8	65%	0.653	37%	0.371	S	S	*	.	H	α-helix	trans	-63.7	-41.5	-179.9	-177.5	175.1	61.8	121.7	-1.6	112.3	E395 N396 V397 Q401	E395-R399 WeakPolarHBondContact O-CB 2.94Å; E395-R399 PolarHBondContact O-N 2.99Å; N396-R399 PolarHBondContact O-N 3.28Å; N396-R399 PolarHBondContact OD1-NH2 3.34Å; N396-R399 VanDerWaalsContact OD1-NH2 3.13Å; V397-R399 PolarHBondContact O-N 3.33Å; R399-Q401 VanDerWaalsContact C-N 3.34Å
400	L	70.7	Confident	78.3	Confident	46 Å²	46	69 Å²	69	24%	0.241	38%	0.38	C	S	.	.	H	α-helix	trans	-76.9	-21.2	-178.7	-68.6	170.9	0	0	0	113	L391 N396 V397 N442 A444 C445	L391-L400 HydrophobicContact CD1-CD1 4.36Å; N396-L400 WeakPolarHBondContact O-CB 3.42Å; N396-L400 VanDerWaalsContact O-CG 3.27Å; N396-L400 WeakPolarHBondContact O-CG 3.22Å; N396-L400 PolarHBondContact O-N 2.95Å; V397-L400 PolarHBondContact O-N 2.98Å; L400-N442 WeakPolarHBondContact O-CB 3.32Å; L400-N442 PolarHBondContact O-ND2 3.37Å; L400-A444 HydrophobicContact CD1-CB 4.28Å; L400-A444 HydrophobicContact CD2-CB 4.3Å; L400-C445 WeakPolarHBondContact CB-SG 3.36Å
401	Q	81.2	Confident	78.2	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-81	-15.3	176.6	-89.7	-56.1	108.7	0	0	115.1	V397 K398 R399 G403 H404 E406 W407 M411 T440 F441	V397-Q401 HydrophobicContact CG1-CG 4.23Å; V397-Q401 VanDerWaalsContact O-CB 3.26Å; V397-Q401 WeakPolarHBondContact O-CB 3.42Å; V397-Q401 WeakPolarHBondContact O-CG 3.41Å; V397-Q401 PolarHBondContact O-N 3.35Å; K398-Q401 PolarHBondContact O-N 3.33Å; R399-Q401 VanDerWaalsContact C-N 3.34Å; Q401-G403 PolarHBondContact O-N 3.23Å; Q401-H404 PolarHBondContact NE2-O 3.43Å; Q401-H404 PolarHBondContact O-N 2.96Å; Q401-E406 PolarHBondContact NE2-O 3.37Å; Q401-E406 WeakPolarHBondContact O-CA 3.48Å; Q401-E406 PolarHBondContact O-N 3.1Å; Q401-W407 HydrophobicContact CB-CB 4.32Å; Q401-M411 HydrophobicContact CG-CE 4.3Å; Q401-T440 PolarHBondContact NE2-O 2.61Å; Q401-T440 VanDerWaalsContact NE2-O 3.15Å; Q401-F441 VanDerWaalsContact OE1-CA 3.26Å
402	A	67.6	Low	78.3	Confident	60 Å²	60	69.6 Å²	69.6	50%	0.496	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	121.6	177.8	0	0	0	0	0	110.1	K398 H404	K398-A402 PolarHBondContact O-N 2.95Å; A402-H404 VanDerWaalsContact C-N 3.32Å
403	G	55.6	Low	78.5	Confident	61 Å²	61	69.4 Å²	69.4	63%	0.629	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-1.5	-174.8	0	0	0	0	0	115.9	Q401 E406	Q401-G403 PolarHBondContact O-N 3.23Å; G403-E406 WeakPolarHBondContact CA-OE1 3.29Å; G403-E406 PolarHBondContact N-OE1 2.99Å
404	H	68.4	Low	78.8	Confident	56 Å²	56	64 Å²	64	26%	0.259	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	47.9	-172.7	-74.1	-83.8	0	0	0	112.2	Q401 A402 D429 N442	Q401-H404 PolarHBondContact NE2-O 3.43Å; Q401-H404 PolarHBondContact O-N 2.96Å; A402-H404 VanDerWaalsContact C-N 3.32Å; H404-D429 VanDerWaalsContact CA-OD2 3.28Å; H404-D429 WeakPolarHBondContact CA-OD2 3.4Å; H404-D429 WeakPolarHBondContact CB-OD2 3.32Å; H404-D429 IonicContact CE1-OD1 2.78Å; H404-D429 IonicContact CG-OD1 3.69Å; H404-D429 IonicContact CG-OD2 3.56Å; H404-D429 IonicContact ND1-OD1 2.67Å; H404-D429 PolarHBondContact ND1-OD1 3.49Å; H404-D429 IonicContact ND1-OD2 3.68Å; H404-D429 PolarHBondContact ND1-OD2 3.1Å; H404-N442 HydrophobicContact CB-CB 3.98Å
405	G	65.9	Low	79.2	Confident	59 Å²	59	62.8 Å²	62.8	61%	0.608	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.9	-0.7	-174.1	0	0	0	0	0	114.8
406	E	78.8	Confident	79.4	Confident	108 Å²	108	57.8 Å²	57.8	51%	0.505	34%	0.342	S	S	.	.			trans	58.4	157.2	-178.5	-61.9	-58.5	148.6	0	0	114.3	Q401 G403	Q401-E406 PolarHBondContact NE2-O 3.37Å; Q401-E406 WeakPolarHBondContact O-CA 3.48Å; Q401-E406 PolarHBondContact O-N 3.1Å; G403-E406 WeakPolarHBondContact CA-OE1 3.29Å; G403-E406 PolarHBondContact N-OE1 2.99Å
407	W	85.8	Confident	79.8	Confident	41 Å²	41	60.8 Å²	60.8	16%	0.155	35%	0.354	C	S	.	.			trans	-82.5	135.2	172.3	171.6	-94.2	0	0	0	110.7	L394 V397 K398 Q401 D409 M411 L415	L394-W407 HydrophobicContact CD1-CH2 3.55Å; L394-W407 HydrophobicContact CD1-CZ2 3.37Å; L394-W407 HydrophobicContact CD1-CZ3 4.42Å; V397-W407 HydrophobicContact CG1-CE3 4.09Å; V397-W407 HydrophobicContact CG1-CZ3 3.86Å; K398-W407 HydrophobicContact CD-CG 4.45Å; K398-W407 VanDerWaalsContact CE-NE1 3.34Å; K398-W407 HydrophobicContact CG-CB 4.13Å; K398-W407 HydrophobicContact CG-CD2 3.69Å; K398-W407 HydrophobicContact CG-CE3 4.27Å; K398-W407 HydrophobicContact CG-CG 3.58Å; Q401-W407 HydrophobicContact CB-CB 4.32Å; W407-D409 PolarHBondContact NE1-OD1 2.85Å; W407-M411 HydrophobicContact CD2-CB 4.48Å; W407-M411 HydrophobicContact CD2-SD 4.49Å; W407-M411 HydrophobicContact CE3-CB 3.88Å; W407-M411 HydrophobicContact CE3-CE 4.35Å; W407-M411 HydrophobicContact CE3-SD 3.91Å; W407-M411 HydrophobicContact CH2-CB 3.56Å; W407-M411 HydrophobicContact CZ2-CB 4.17Å; W407-M411 HydrophobicContact CZ3-CB 3.39Å; W407-M411 HydrophobicContact CZ3-CE 4.5Å; W407-M411 HydrophobicContact CZ3-CG 4.41Å; W407-M411 HydrophobicContact CZ3-SD 4.31Å; W407-L415 HydrophobicContact CH2-CD1 4.31Å; W407-L415 HydrophobicContact CH2-CD2 4.4Å; W407-L415 HydrophobicContact CH2-CG 4.39Å; W407-L415 HydrophobicContact CZ3-CD2 4.35Å
408	T	85	Confident	80.5	Confident	65 Å²	65	63.5 Å²	63.5	40%	0.399	37%	0.371	S	S	.	.			trans	-123.8	143.6	167.3	61.2	0	0	0	0	110.6	S410 M411	T408-S410 PolarHBondContact O-N 3.43Å; T408-S410 PolarHBondContact OG1-OG 3.16Å; T408-M411 VanDerWaalsContact O-CB 3.29Å; T408-M411 WeakPolarHBondContact O-CB 3.25Å; T408-M411 PolarHBondContact O-N 2.85Å
409	D	86.2	Confident	80.7	Confident	126 Å²	126	60.4 Å²	60.4	67%	0.674	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-60.4	-20.5	-177	-65.1	-35.6	0	0	0	113.9	W407 M411 T412	W407-D409 PolarHBondContact NE1-OD1 2.85Å; D409-M411 PolarHBondContact O-N 2.98Å; D409-T412 WeakPolarHBondContact O-CB 3.38Å; D409-T412 PolarHBondContact O-N 3.34Å; D409-T412 PolarHBondContact O-OG1 2.91Å
410	S	84.1	Confident	81.2	Confident	69 Å²	69	57 Å²	57	48%	0.483	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-65.5	-13.1	171.1	58.1	0	0	0	0	114.7	T408 P413	T408-S410 PolarHBondContact O-N 3.43Å; T408-S410 PolarHBondContact OG1-OG 3.16Å; S410-P413 VanDerWaalsContact O-CD 3.3Å; S410-P413 WeakPolarHBondContact O-CD 3.33Å
411	M	88.3	Confident	81.9	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-83.5	-12.7	175.8	-65.8	171.9	79.8	0	0	112.9	Q401 W407 T408 D409 P413 V414 W439 F441	Q401-M411 HydrophobicContact CG-CE 4.3Å; W407-M411 HydrophobicContact CD2-CB 4.48Å; W407-M411 HydrophobicContact CD2-SD 4.49Å; W407-M411 HydrophobicContact CE3-CB 3.88Å; W407-M411 HydrophobicContact CE3-CE 4.35Å; W407-M411 HydrophobicContact CE3-SD 3.91Å; W407-M411 HydrophobicContact CH2-CB 3.56Å; W407-M411 HydrophobicContact CZ2-CB 4.17Å; W407-M411 HydrophobicContact CZ3-CB 3.39Å; W407-M411 HydrophobicContact CZ3-CE 4.5Å; W407-M411 HydrophobicContact CZ3-CG 4.41Å; W407-M411 HydrophobicContact CZ3-SD 4.31Å; T408-M411 VanDerWaalsContact O-CB 3.29Å; T408-M411 WeakPolarHBondContact O-CB 3.25Å; T408-M411 PolarHBondContact O-N 2.85Å; D409-M411 PolarHBondContact O-N 2.98Å; M411-P413 VanDerWaalsContact C-N 3.34Å; M411-V414 HydrophobicContact CB-CG2 4.44Å; M411-V414 WeakPolarHBondContact O-CG2 3.42Å; M411-V414 PolarHBondContact O-N 3.07Å; M411-V414 VanDerWaalsContact O-N 3.12Å; M411-W439 HydrophobicContact CE-CB 4.15Å; M411-W439 HydrophobicContact CE-CG 4.49Å; M411-W439 HydrophobicContact CG-CG 3.96Å; M411-F441 HydrophobicContact CE-CD1 3.98Å; M411-F441 HydrophobicContact CE-CE1 3.43Å; M411-F441 VanDerWaalsContact CE-CE1 3.43Å; M411-F441 HydrophobicContact CE-CE2 4.27Å; M411-F441 HydrophobicContact CE-CZ 3.61Å
412	T	88.6	Confident	81.8	Confident	66 Å²	66	58.8 Å²	58.8	41%	0.405	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-52.7	-41.8	-179.3	-49	0	0	0	0	114	D409 V414 L415	D409-T412 WeakPolarHBondContact O-CB 3.38Å; D409-T412 PolarHBondContact O-N 3.34Å; D409-T412 PolarHBondContact O-OG1 2.91Å; T412-V414 PolarHBondContact O-N 3.1Å; T412-L415 PolarHBondContact O-N 2.75Å
413	P	86.4	Confident	82	Confident	101 Å²	101	61.3 Å²	61.3	66%	0.656	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-68.6	-15.5	-178.3	-20.2	34.2	0	0	0	115	S410 M411	S410-P413 VanDerWaalsContact O-CD 3.3Å; S410-P413 WeakPolarHBondContact O-CD 3.33Å; M411-P413 VanDerWaalsContact C-N 3.34Å
414	V	88.7	Confident	82.9	Confident	10 Å²	10	61.1 Å²	61.1	6%	0.061	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-98.3	-0.6	-177.6	-61.1	0	0	0	0	113.8	V390 M411 T412 G416 Q417 F434 W439 F441	V390-V414 WeakPolarHBondContact CB-O 3.4Å; V390-V414 WeakPolarHBondContact CG2-O 3.32Å; M411-V414 HydrophobicContact CB-CG2 4.44Å; M411-V414 WeakPolarHBondContact O-CG2 3.42Å; M411-V414 PolarHBondContact O-N 3.07Å; M411-V414 VanDerWaalsContact O-N 3.12Å; T412-V414 PolarHBondContact O-N 3.1Å; V414-G416 PolarHBondContact O-N 3.45Å; V414-Q417 WeakPolarHBondContact O-CB 3.24Å; V414-Q417 PolarHBondContact O-N 3.5Å; V414-Q417 VanDerWaalsContact O-N 3.12Å; V414-F434 HydrophobicContact CB-CD1 4.29Å; V414-F434 HydrophobicContact CB-CD2 4.34Å; V414-F434 HydrophobicContact CB-CE1 4.39Å; V414-F434 HydrophobicContact CB-CE2 4.49Å; V414-F434 HydrophobicContact CB-CG 4.27Å; V414-F434 HydrophobicContact CG1-CB 4Å; V414-F434 HydrophobicContact CG1-CD1 4.23Å; V414-F434 HydrophobicContact CG1-CD2 4.08Å; V414-F434 HydrophobicContact CG1-CG 3.85Å; V414-W439 HydrophobicContact CG1-CE3 4.22Å; V414-W439 HydrophobicContact CG1-CH2 3.74Å; V414-W439 HydrophobicContact CG1-CZ3 3.59Å; V414-W439 HydrophobicContact CG2-CE3 4.41Å; V414-F441 HydrophobicContact CG2-CZ 3.9Å
415	L	89.6	Confident	82.2	Confident	32 Å²	32	61 Å²	61	17%	0.168	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	130.7	171.3	-66.8	176.5	0	0	0	110.5	V390 L391 L394 V397 W407 T412 Q417	V390-L415 HydrophobicContact CG1-CD2 4.07Å; L391-L415 WeakPolarHBondContact O-CD2 3.44Å; L394-L415 HydrophobicContact CB-CD1 3.86Å; L394-L415 HydrophobicContact CD1-CD1 3.65Å; L394-L415 HydrophobicContact CG-CD1 4.36Å; V397-L415 HydrophobicContact CB-CD2 3.98Å; V397-L415 HydrophobicContact CG1-CD2 4.07Å; V397-L415 HydrophobicContact CG2-CD2 3.71Å; W407-L415 HydrophobicContact CH2-CD1 4.31Å; W407-L415 HydrophobicContact CH2-CD2 4.4Å; W407-L415 HydrophobicContact CH2-CG 4.39Å; W407-L415 HydrophobicContact CZ3-CD2 4.35Å; T412-L415 PolarHBondContact O-N 2.75Å; L415-Q417 PolarHBondContact O-N 3.44Å
416	G	83.5	Confident	80.8	Confident	21 Å²	21	63.8 Å²	63.8	22%	0.216	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	-0.3	-175.8	0	0	0	0	0	115.8	K389 V390 L391 D392 V414	K389-G416 WeakPolarHBondContact CE-O 3.2Å; V390-G416 VanDerWaalsContact O-CA 3.22Å; V390-G416 WeakPolarHBondContact O-CA 3.31Å; V390-G416 PolarHBondContact O-N 2.86Å; L391-G416 PolarHBondContact O-N 3.41Å; D392-G416 WeakPolarHBondContact OD1-CA 3.34Å; V414-G416 PolarHBondContact O-N 3.45Å
417	Q	87.1	Confident	79.2	Confident	112 Å²	112	63.8 Å²	63.8	52%	0.523	36%	0.362	S	S	.	.			trans	-87	158.6	177.7	-64.3	-64.2	-21.8	0	0	111.5	K389 V390 V414 L415 F434	K389-Q417 WeakPolarHBondContact CA-O 3.48Å; V390-Q417 PolarHBondContact N-O 3.5Å; V414-Q417 WeakPolarHBondContact O-CB 3.24Å; V414-Q417 PolarHBondContact O-N 3.5Å; V414-Q417 VanDerWaalsContact O-N 3.12Å; L415-Q417 PolarHBondContact O-N 3.44Å; Q417-F434 HydrophobicContact CB-CD1 4.02Å; Q417-F434 HydrophobicContact CB-CE1 4.07Å
418	V	88.6	Confident	78	Confident	57 Å²	57	63.2 Å²	63.2	35%	0.345	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.6	175.7	-177.4	0	0	0	0	109.6	L387 V388 K389 F434 Q449	L387-V418 HydrophobicContact CB-CG1 3.86Å; L387-V418 HydrophobicContact CD1-CG1 4.06Å; L387-V418 HydrophobicContact CD2-CG1 4.47Å; L387-V418 HydrophobicContact CG-CG1 4.36Å; V388-V418 WeakPolarHBondContact O-CA 3.41Å; K389-V418 HydrophobicContact CB-CG2 4.2Å; K389-V418 HydrophobicContact CG-CG2 4.18Å; V418-F434 WeakPolarHBondContact O-CD1 3.43Å; V418-Q449 HydrophobicContact CG1-CB 4.28Å; V418-Q449 HydrophobicContact CG1-CG 4.26Å; V418-Q449 HydrophobicContact CG2-CG 4.09Å
419	G	84.9	Confident	77.7	Confident	3 Å²	3	60.2 Å²	60.2	3%	0.031	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163.9	179.4	0	0	0	0	0	111.7	L387 V388 V432 A433	L387-G419 WeakPolarHBondContact CA-O 3.47Å; V388-G419 PolarHBondContact N-O 2.98Å; V388-G419 PolarHBondContact O-N 3.47Å; G419-V432 VanDerWaalsContact C-CG1 3.42Å; G419-A433 CarbonylContact C-O 3.59Å; G419-A433 WeakPolarHBondContact CA-O 3.46Å
420	K	89.4	Confident	77.7	Confident	101 Å²	101	54.2 Å²	54.2	44%	0.439	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.3	-178.4	-171.5	173.6	-177.2	174.2	0	110.5	L387 L422 V432 A433	L387-K420 HydrophobicContact CD2-CB 3.79Å; L387-K420 HydrophobicContact CD2-CG 4.16Å; K420-L422 PolarHBondContact O-N 3.23Å; K420-L422 VanDerWaalsContact O-N 3.13Å; K420-V432 CarbonylContact O-C 3.58Å; K420-V432 WeakPolarHBondContact O-CA 3.45Å; K420-A433 PolarHBondContact N-O 3.14Å; K420-A433 PolarHBondContact O-N 3.34Å
421	V	87	Confident	77.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	113	174	179.9	0	0	0	0	108.6	G383 G385 E386 V388 V424 L430 R431 V432	G383-V421 WeakPolarHBondContact O-CB 3.22Å; G385-V421 WeakPolarHBondContact CA-O 3.16Å; G385-V421 PolarHBondContact N-O 3.47Å; E386-V421 WeakPolarHBondContact O-CG2 3.24Å; E386-V421 PolarHBondContact O-N 2.91Å; V388-V421 HydrophobicContact CB-CG2 4.34Å; V388-V421 HydrophobicContact CG1-CG2 3.67Å; V388-V421 HydrophobicContact CG2-CG2 3.67Å; V421-V424 HydrophobicContact CG1-CG2 4.01Å; V421-L430 HydrophobicContact CG1-CB 4.48Å; V421-L430 HydrophobicContact CG1-CD2 3.85Å; V421-R431 CarbonylContact C-O 3.6Å; V421-V432 HydrophobicContact CG2-CG2 4.3Å
422	L	78.3	Confident	78.1	Confident	83 Å²	83	55.8 Å²	55.8	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-32.5	175.6	-66.3	-173.6	0	0	0	112.4	V384 K420 R431 A433 T438	V384-L422 WeakPolarHBondContact CG1-O 3.45Å; K420-L422 PolarHBondContact O-N 3.23Å; K420-L422 VanDerWaalsContact O-N 3.13Å; L422-R431 PolarHBondContact N-O 3.28Å; L422-A433 HydrophobicContact CD1-CB 3.66Å; L422-A433 HydrophobicContact CD2-CB 4.01Å; L422-A433 HydrophobicContact CG-CB 3.68Å; L422-T438 HydrophobicContact CD1-CG2 3.54Å
423	K	70.9	Confident	78.2	Confident	113 Å²	113	53.6 Å²	53.6	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	136.6	-175.1	-170.2	170.8	179.9	176.4	0	109.5	Y425 L430 R431	K423-Y425 HydrophobicContact CD-CD1 4.12Å; K423-Y425 HydrophobicContact CD-CE1 3.8Å; K423-Y425 HydrophobicContact CG-CD1 4.41Å; K423-Y425 HydrophobicContact CG-CE1 4.39Å; K423-L430 CarbonylContact O-C 3.57Å; K423-L430 WeakPolarHBondContact O-CA 3.4Å; K423-R431 HydrophobicContact CB-CB 3.9Å; K423-R431 PolarHBondContact N-O 3.34Å; K423-R431 PolarHBondContact O-N 2.82Å
424	V	75.7	Confident	78.4	Confident	56 Å²	56	49.9 Å²	49.9	34%	0.339	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.4	165	-170.7	0	0	0	0	106.2	V384 V421 D429 L430	V384-V424 HydrophobicContact CG2-CG2 3.98Å; V421-V424 HydrophobicContact CG1-CG2 4.01Å; V424-D429 CarbonylContact C-O 3.51Å; V424-D429 WeakPolarHBondContact CA-O 3.37Å; V424-L430 HydrophobicContact CB-CD2 4.05Å; V424-L430 HydrophobicContact CG1-CD2 3.83Å; V424-L430 HydrophobicContact CG2-CD2 3.59Å
425	Y	53.5	Low	77.5	Confident	54 Å²	54	54 Å²	54	21%	0.212	32%	0.32	C	S	.	.			trans	-80.1	164.4	178.6	-65.3	-73.1	0	0	0	110.4	K423 D427 G428 D429 R431 T440	K423-Y425 HydrophobicContact CD-CD1 4.12Å; K423-Y425 HydrophobicContact CD-CE1 3.8Å; K423-Y425 HydrophobicContact CG-CD1 4.41Å; K423-Y425 HydrophobicContact CG-CE1 4.39Å; Y425-D427 WeakPolarHBondContact CB-OD1 3.06Å; Y425-D427 PolarHBondContact O-N 3.19Å; Y425-G428 PolarHBondContact O-N 3.38Å; Y425-D429 WeakPolarHBondContact CB-O 3.29Å; Y425-D429 HydrophobicContact CD2-CB 3.91Å; Y425-D429 VanDerWaalsContact CD2-O 3.3Å; Y425-D429 WeakPolarHBondContact CD2-O 3.29Å; Y425-D429 PolarHBondContact N-O 3.3Å; Y425-R431 HydrophobicContact CE2-CB 3.56Å; Y425-R431 HydrophobicContact CE2-CG 4.23Å; Y425-R431 VanDerWaalsContact OH-CD 3.23Å; Y425-R431 WeakPolarHBondContact OH-CD 3.2Å; Y425-R431 WeakPolarHBondContact OH-CG 3.47Å; Y425-R431 PolarHBondContact OH-NH1 3.48Å; Y425-T440 HydrophobicContact CD2-CG2 3.92Å; Y425-T440 HydrophobicContact CE2-CG2 3.61Å; Y425-T440 WeakPolarHBondContact CE2-OG1 3.41Å; Y425-T440 PolarHBondContact OH-OG1 2.91Å
426	A	37.6	Very low	76.5	Confident	118 Å²	118	56.2 Å²	56.2	98%	0.975	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.9	-173.6	0	0	0	0	0	113.6	G428	A426-G428 VanDerWaalsContact C-N 3.26Å
427	D	44.9	Very low	76.3	Confident	107 Å²	107	61 Å²	61	57%	0.572	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-6	171.5	49.6	17.1	0	0	0	113.1	Y425 D429	Y425-D427 WeakPolarHBondContact CB-OD1 3.06Å; Y425-D427 PolarHBondContact O-N 3.19Å; D427-D429 WeakPolarHBondContact OD1-CB 3.47Å; D427-D429 PolarHBondContact OD1-N 2.85Å
428	G	58.8	Low	76.4	Confident	29 Å²	29	58.1 Å²	58.1	30%	0.299	36%	0.358	S	S	.	.	S	Bend	trans	100.5	-16.3	-175.3	0	0	0	0	0	113.1	Y425 A426 P443	Y425-G428 PolarHBondContact O-N 3.38Å; A426-G428 VanDerWaalsContact C-N 3.26Å; G428-P443 WeakPolarHBondContact O-CG 3.19Å
429	D	80.3	Confident	76.5	Confident	2 Å²	2	57 Å²	57	1%	0.011	35%	0.347	C	S	.	.			trans	-63.5	152.4	-174.6	-71.3	-7.2	0	0	0	113	H404 V424 Y425 D427 T440 F441 N442	H404-D429 VanDerWaalsContact CA-OD2 3.28Å; H404-D429 WeakPolarHBondContact CA-OD2 3.4Å; H404-D429 WeakPolarHBondContact CB-OD2 3.32Å; H404-D429 IonicContact CE1-OD1 2.78Å; H404-D429 IonicContact CG-OD1 3.69Å; H404-D429 IonicContact CG-OD2 3.56Å; H404-D429 IonicContact ND1-OD1 2.67Å; H404-D429 PolarHBondContact ND1-OD1 3.49Å; H404-D429 IonicContact ND1-OD2 3.68Å; H404-D429 PolarHBondContact ND1-OD2 3.1Å; V424-D429 CarbonylContact C-O 3.51Å; V424-D429 WeakPolarHBondContact CA-O 3.37Å; Y425-D429 WeakPolarHBondContact CB-O 3.29Å; Y425-D429 HydrophobicContact CD2-CB 3.91Å; Y425-D429 VanDerWaalsContact CD2-O 3.3Å; Y425-D429 WeakPolarHBondContact CD2-O 3.29Å; Y425-D429 PolarHBondContact N-O 3.3Å; D427-D429 WeakPolarHBondContact OD1-CB 3.47Å; D427-D429 PolarHBondContact OD1-N 2.85Å; D429-T440 HydrophobicContact CB-CG2 3.72Å; D429-F441 WeakPolarHBondContact CA-O 3.49Å; D429-N442 WeakPolarHBondContact OD1-CA 3.43Å
430	L	84.8	Confident	76.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.1	-172.9	-60.1	172	0	0	0	108.6	F382 V421 K423 V424 V432 T440 F441 P443 L446	F382-L430 HydrophobicContact CB-CD1 3.85Å; F382-L430 HydrophobicContact CB-CD2 3.97Å; F382-L430 HydrophobicContact CD1-CD1 4.45Å; F382-L430 HydrophobicContact CD2-CD1 3.55Å; F382-L430 HydrophobicContact CE2-CD1 4.15Å; F382-L430 HydrophobicContact CG-CD1 3.71Å; V421-L430 HydrophobicContact CG1-CB 4.48Å; V421-L430 HydrophobicContact CG1-CD2 3.85Å; K423-L430 CarbonylContact O-C 3.57Å; K423-L430 WeakPolarHBondContact O-CA 3.4Å; V424-L430 HydrophobicContact CB-CD2 4.05Å; V424-L430 HydrophobicContact CG1-CD2 3.83Å; V424-L430 HydrophobicContact CG2-CD2 3.59Å; L430-V432 HydrophobicContact CB-CG2 3.87Å; L430-V432 PolarHBondContact O-N 3.46Å; L430-T440 CarbonylContact O-C 3.52Å; L430-T440 WeakPolarHBondContact O-CA 3.29Å; L430-F441 PolarHBondContact N-O 3.28Å; L430-F441 PolarHBondContact O-N 3.2Å; L430-P443 HydrophobicContact CD1-CB 4.22Å; L430-P443 HydrophobicContact CD1-CG 4.37Å; L430-P443 HydrophobicContact CG-CG 4.29Å; L430-L446 HydrophobicContact CB-CD1 3.67Å; L430-L446 HydrophobicContact CD1-CB 4.49Å; L430-L446 HydrophobicContact CD1-CD1 3.39Å; L430-L446 HydrophobicContact CG-CD1 4.09Å
431	R	90.1	Very high	76.6	Confident	104 Å²	104	53.7 Å²	53.7	39%	0.392	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	113.6	163.2	-154.8	-175.8	-173.5	130.5	-9.2	107.8	V421 L422 K423 Y425 T438 W439	V421-R431 CarbonylContact C-O 3.6Å; L422-R431 PolarHBondContact N-O 3.28Å; K423-R431 HydrophobicContact CB-CB 3.9Å; K423-R431 PolarHBondContact N-O 3.34Å; K423-R431 PolarHBondContact O-N 2.82Å; Y425-R431 HydrophobicContact CE2-CB 3.56Å; Y425-R431 HydrophobicContact CE2-CG 4.23Å; Y425-R431 VanDerWaalsContact OH-CD 3.23Å; Y425-R431 WeakPolarHBondContact OH-CD 3.2Å; Y425-R431 WeakPolarHBondContact OH-CG 3.47Å; Y425-R431 PolarHBondContact OH-NH1 3.48Å; R431-T438 PolarHBondContact NE-OG1 2.89Å; R431-T438 VanDerWaalsContact NE-OG1 3.09Å; R431-T438 PolarHBondContact NH2-OG1 2.98Å; R431-W439 CarbonylContact C-O 3.57Å; R431-W439 WeakPolarHBondContact CA-O 3.41Å
432	V	92.1	Very high	76.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135	-176.9	-170.1	0	0	0	0	110	V388 G419 K420 V421 L430 F434 T438 W439 F441 L446	V388-V432 HydrophobicContact CG2-CB 4.44Å; V388-V432 HydrophobicContact CG2-CG1 3.68Å; V388-V432 HydrophobicContact CG2-CG2 3.81Å; G419-V432 VanDerWaalsContact C-CG1 3.42Å; K420-V432 CarbonylContact O-C 3.58Å; K420-V432 WeakPolarHBondContact O-CA 3.45Å; V421-V432 HydrophobicContact CG2-CG2 4.3Å; L430-V432 HydrophobicContact CB-CG2 3.87Å; L430-V432 PolarHBondContact O-N 3.46Å; V432-F434 HydrophobicContact CB-CE2 3.77Å; V432-F434 HydrophobicContact CB-CZ 4.24Å; V432-F434 HydrophobicContact CG1-CD2 4.3Å; V432-F434 HydrophobicContact CG1-CE1 4.49Å; V432-F434 HydrophobicContact CG1-CE2 3.43Å; V432-F434 VanDerWaalsContact CG1-CE2 3.43Å; V432-F434 HydrophobicContact CG1-CZ 3.54Å; V432-T438 WeakPolarHBondContact O-CA 3.13Å; V432-W439 PolarHBondContact N-O 3.2Å; V432-W439 PolarHBondContact O-N 2.88Å; V432-F441 HydrophobicContact CB-CD2 4.05Å; V432-F441 HydrophobicContact CB-CE2 4.46Å; V432-F441 HydrophobicContact CG2-CD2 4.07Å; V432-L446 HydrophobicContact CG2-CD1 3.75Å
433	A	90.9	Very high	76.7	Confident	21 Å²	21	52.1 Å²	52.1	17%	0.174	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.5	178.8	0	0	0	0	0	112.9	G419 K420 L422 Q437 T438	G419-A433 CarbonylContact C-O 3.59Å; G419-A433 WeakPolarHBondContact CA-O 3.46Å; K420-A433 PolarHBondContact N-O 3.14Å; K420-A433 PolarHBondContact O-N 3.34Å; L422-A433 HydrophobicContact CD1-CB 3.66Å; L422-A433 HydrophobicContact CD2-CB 4.01Å; L422-A433 HydrophobicContact CG-CB 3.68Å; A433-Q437 CarbonylContact C-O 3.6Å; A433-Q437 WeakPolarHBondContact CA-O 3.43Å; A433-T438 HydrophobicContact CB-CG2 4.06Å
434	F	89.2	Confident	77.1	Confident	23 Å²	23	49.2 Å²	49.2	10%	0.101	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	115.1	172.1	-50.5	-105.4	0	0	0	108.7	V390 V414 Q417 V418 V432 G436 Q437 W439 F441	V390-F434 HydrophobicContact CG2-CE1 3.92Å; V390-F434 HydrophobicContact CG2-CE2 4.34Å; V390-F434 HydrophobicContact CG2-CZ 3.4Å; V390-F434 VanDerWaalsContact CG2-CZ 3.4Å; V414-F434 HydrophobicContact CB-CD1 4.29Å; V414-F434 HydrophobicContact CB-CD2 4.34Å; V414-F434 HydrophobicContact CB-CE1 4.39Å; V414-F434 HydrophobicContact CB-CE2 4.49Å; V414-F434 HydrophobicContact CB-CG 4.27Å; V414-F434 HydrophobicContact CG1-CB 4Å; V414-F434 HydrophobicContact CG1-CD1 4.23Å; V414-F434 HydrophobicContact CG1-CD2 4.08Å; V414-F434 HydrophobicContact CG1-CG 3.85Å; Q417-F434 HydrophobicContact CB-CD1 4.02Å; Q417-F434 HydrophobicContact CB-CE1 4.07Å; V418-F434 WeakPolarHBondContact O-CD1 3.43Å; V432-F434 HydrophobicContact CB-CE2 3.77Å; V432-F434 HydrophobicContact CB-CZ 4.24Å; V432-F434 HydrophobicContact CG1-CD2 4.3Å; V432-F434 HydrophobicContact CG1-CE1 4.49Å; V432-F434 HydrophobicContact CG1-CE2 3.43Å; V432-F434 VanDerWaalsContact CG1-CE2 3.43Å; V432-F434 HydrophobicContact CG1-CZ 3.54Å; F434-G436 PolarHBondContact O-N 2.69Å; F434-Q437 PolarHBondContact N-O 3.45Å; F434-Q437 PolarHBondContact O-N 3.39Å; F434-W439 HydrophobicContact CB-CZ3 4.05Å; F434-W439 AromaticContact CD2-CE3 3.77Å; F434-W439 HydrophobicContact CD2-CE3 3.77Å; F434-W439 AromaticContact CD2-CZ3 3.85Å; F434-W439 HydrophobicContact CD2-CZ3 3.85Å; F434-W439 HydrophobicContact CE2-CE3 4.41Å; F434-W439 HydrophobicContact CG-CZ3 4.33Å; F434-F441 AromaticContact CE2-CE2 3.79Å; F434-F441 HydrophobicContact CE2-CE2 3.79Å; F434-F441 HydrophobicContact CZ-CE2 4.29Å
435	G	69.9	Low	77.4	Confident	96 Å²	96	46.5 Å²	46.5	99%	0.99	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	29.3	172.2	0	0	0	0	0	116
436	G	68.1	Low	78.9	Confident	79 Å²	79	44.4 Å²	44.4	81%	0.814	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-7.9	-179	0	0	0	0	0	115.3	F434	F434-G436 PolarHBondContact O-N 2.69Å
437	Q	80	Confident	81	Confident	121 Å²	121	42.5 Å²	42.5	57%	0.565	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.8	170.2	-64.9	-177.8	14.7	0	0	110.1	A433 F434 W439	A433-Q437 CarbonylContact C-O 3.6Å; A433-Q437 WeakPolarHBondContact CA-O 3.43Å; F434-Q437 PolarHBondContact N-O 3.45Å; F434-Q437 PolarHBondContact O-N 3.39Å; Q437-W439 HydrophobicContact CB-CE3 4.34Å; Q437-W439 HydrophobicContact CB-CH2 3.29Å; Q437-W439 HydrophobicContact CB-CZ2 3.95Å; Q437-W439 HydrophobicContact CB-CZ3 3.49Å; Q437-W439 VanDerWaalsContact CB-CZ3 3.49Å; Q437-W439 HydrophobicContact CG-CH2 4.22Å
438	T	89.4	Confident	82.4	Confident	51 Å²	51	39.8 Å²	39.8	31%	0.313	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.1	-176.2	72.3	0	0	0	0	110.6	L422 R431 V432 A433	L422-T438 HydrophobicContact CD1-CG2 3.54Å; R431-T438 PolarHBondContact NE-OG1 2.89Å; R431-T438 VanDerWaalsContact NE-OG1 3.09Å; R431-T438 PolarHBondContact NH2-OG1 2.98Å; V432-T438 WeakPolarHBondContact O-CA 3.13Å; A433-T438 HydrophobicContact CB-CG2 4.06Å
439	W	90.4	Very high	83	Confident	33 Å²	33	42 Å²	42	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.4	173.5	-63.2	-92	0	0	0	110.4	M411 V414 R431 V432 F434 Q437 F441	M411-W439 HydrophobicContact CE-CB 4.15Å; M411-W439 HydrophobicContact CE-CG 4.49Å; M411-W439 HydrophobicContact CG-CG 3.96Å; V414-W439 HydrophobicContact CG1-CE3 4.22Å; V414-W439 HydrophobicContact CG1-CH2 3.74Å; V414-W439 HydrophobicContact CG1-CZ3 3.59Å; V414-W439 HydrophobicContact CG2-CE3 4.41Å; R431-W439 CarbonylContact C-O 3.57Å; R431-W439 WeakPolarHBondContact CA-O 3.41Å; V432-W439 PolarHBondContact N-O 3.2Å; V432-W439 PolarHBondContact O-N 2.88Å; F434-W439 HydrophobicContact CB-CZ3 4.05Å; F434-W439 AromaticContact CD2-CE3 3.77Å; F434-W439 HydrophobicContact CD2-CE3 3.77Å; F434-W439 AromaticContact CD2-CZ3 3.85Å; F434-W439 HydrophobicContact CD2-CZ3 3.85Å; F434-W439 HydrophobicContact CE2-CE3 4.41Å; F434-W439 HydrophobicContact CG-CZ3 4.33Å; Q437-W439 HydrophobicContact CB-CE3 4.34Å; Q437-W439 HydrophobicContact CB-CH2 3.29Å; Q437-W439 HydrophobicContact CB-CZ2 3.95Å; Q437-W439 HydrophobicContact CB-CZ3 3.49Å; Q437-W439 VanDerWaalsContact CB-CZ3 3.49Å; Q437-W439 HydrophobicContact CG-CH2 4.22Å; W439-F441 HydrophobicContact CB-CD2 4.23Å; W439-F441 HydrophobicContact CB-CE2 3.7Å; W439-F441 HydrophobicContact CB-CZ 4.29Å
440	T	89.6	Confident	81.2	Confident	34 Å²	34	47.8 Å²	47.8	21%	0.209	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.4	171.4	-59.5	0	0	0	0	108.2	Q401 Y425 D429 L430	Q401-T440 PolarHBondContact NE2-O 2.61Å; Q401-T440 VanDerWaalsContact NE2-O 3.15Å; Y425-T440 HydrophobicContact CD2-CG2 3.92Å; Y425-T440 HydrophobicContact CE2-CG2 3.61Å; Y425-T440 WeakPolarHBondContact CE2-OG1 3.41Å; Y425-T440 PolarHBondContact OH-OG1 2.91Å; D429-T440 HydrophobicContact CB-CG2 3.72Å; L430-T440 CarbonylContact O-C 3.52Å; L430-T440 WeakPolarHBondContact O-CA 3.29Å
441	F	86.9	Confident	79.2	Confident	1 Å²	1	50.4 Å²	50.4	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.5	-179.9	-77	-81.7	0	0	0	110.7	V390 V397 Q401 M411 V414 D429 L430 V432 F434 W439 C445 L446	V390-F441 HydrophobicContact CG1-CD1 4.34Å; V390-F441 HydrophobicContact CG1-CE1 3.68Å; V390-F441 HydrophobicContact CG1-CZ 4.14Å; V390-F441 HydrophobicContact CG2-CE1 4.16Å; V390-F441 HydrophobicContact CG2-CE2 4.25Å; V390-F441 HydrophobicContact CG2-CZ 3.87Å; V397-F441 HydrophobicContact CG1-CE1 4.43Å; Q401-F441 VanDerWaalsContact OE1-CA 3.26Å; M411-F441 HydrophobicContact CE-CD1 3.98Å; M411-F441 HydrophobicContact CE-CE1 3.43Å; M411-F441 VanDerWaalsContact CE-CE1 3.43Å; M411-F441 HydrophobicContact CE-CE2 4.27Å; M411-F441 HydrophobicContact CE-CZ 3.61Å; V414-F441 HydrophobicContact CG2-CZ 3.9Å; D429-F441 WeakPolarHBondContact CA-O 3.49Å; L430-F441 PolarHBondContact N-O 3.28Å; L430-F441 PolarHBondContact O-N 3.2Å; V432-F441 HydrophobicContact CB-CD2 4.05Å; V432-F441 HydrophobicContact CB-CE2 4.46Å; V432-F441 HydrophobicContact CG2-CD2 4.07Å; F434-F441 AromaticContact CE2-CE2 3.79Å; F434-F441 HydrophobicContact CE2-CE2 3.79Å; F434-F441 HydrophobicContact CZ-CE2 4.29Å; W439-F441 HydrophobicContact CB-CD2 4.23Å; W439-F441 HydrophobicContact CB-CE2 3.7Å; W439-F441 HydrophobicContact CB-CZ 4.29Å; F441-C445 HydrophobicContact CD1-CB 4.13Å; F441-L446 HydrophobicContact CB-CD1 3.51Å; F441-L446 HydrophobicContact CB-CD2 4.21Å; F441-L446 HydrophobicContact CB-CG 3.92Å; F441-L446 HydrophobicContact CD1-CD2 4.46Å; F441-L446 HydrophobicContact CD2-CD2 4.44Å; F441-L446 HydrophobicContact CG-CD1 4.26Å; F441-L446 HydrophobicContact CG-CD2 4.13Å; F441-L446 HydrophobicContact CG-CG 4.38Å
442	N	85.4	Confident	76.5	Confident	25 Å²	25	55 Å²	55	13%	0.134	36%	0.358	C	S	.	.			trans	-55.3	135.3	160.8	-176.1	-40.1	0	0	0	109.3	L400 H404 D429 A444 C445	L400-N442 WeakPolarHBondContact O-CB 3.32Å; L400-N442 PolarHBondContact O-ND2 3.37Å; H404-N442 HydrophobicContact CB-CB 3.98Å; D429-N442 WeakPolarHBondContact OD1-CA 3.43Å; N442-A444 PolarHBondContact O-N 3.13Å; N442-A444 VanDerWaalsContact O-N 3.11Å; N442-A444 VanDerWaalsContact OD1-CB 3.31Å; N442-A444 WeakPolarHBondContact OD1-CB 3.44Å; N442-A444 PolarHBondContact OD1-N 3.41Å; N442-C445 VanDerWaalsContact O-CB 3.26Å; N442-C445 WeakPolarHBondContact O-CB 3.43Å; N442-C445 PolarHBondContact O-N 3.45Å
443	P	81.9	Confident	73.7	Confident	27 Å²	27	61.7 Å²	61.7	18%	0.175	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-58.1	-26.6	179.4	-27.3	38.8	0	0	0	114.2	F382 G428 L430 C445 L446	F382-P443 HydrophobicContact CD2-CB 4.08Å; F382-P443 HydrophobicContact CE2-CB 3.81Å; G428-P443 WeakPolarHBondContact O-CG 3.19Å; L430-P443 HydrophobicContact CD1-CB 4.22Å; L430-P443 HydrophobicContact CD1-CG 4.37Å; L430-P443 HydrophobicContact CG-CG 4.29Å; P443-C445 PolarHBondContact O-N 3.11Å; P443-L446 PolarHBondContact O-N 2.9Å
444	A	79.3	Confident	70.6	Confident	51 Å²	51	68.1 Å²	68.1	42%	0.421	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-70.2	-18.2	175.8	0	0	0	0	0	113.1	L400 N442 L446	L400-A444 HydrophobicContact CD1-CB 4.28Å; L400-A444 HydrophobicContact CD2-CB 4.3Å; N442-A444 PolarHBondContact O-N 3.13Å; N442-A444 VanDerWaalsContact O-N 3.11Å; N442-A444 VanDerWaalsContact OD1-CB 3.31Å; N442-A444 WeakPolarHBondContact OD1-CB 3.44Å; N442-A444 PolarHBondContact OD1-N 3.41Å; A444-L446 PolarHBondContact O-N 3.05Å
445	C	83.1	Confident	67.9	Low	0 Å²	0	70.7 Å²	70.7	0%	0	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-80.6	-2.5	174.2	-63.9	0	0	0	0	113.2	L391 L400 F441 N442 P443	L391-C445 WeakPolarHBondContact CG-O 3.42Å; L391-C445 PolarHBondContact N-O 3.2Å; L400-C445 WeakPolarHBondContact CB-SG 3.36Å; F441-C445 HydrophobicContact CD1-CB 4.13Å; N442-C445 VanDerWaalsContact O-CB 3.26Å; N442-C445 WeakPolarHBondContact O-CB 3.43Å; N442-C445 PolarHBondContact O-N 3.45Å; P443-C445 PolarHBondContact O-N 3.11Å
446	L	84.4	Confident	65.9	Low	9 Å²	9	73.8 Å²	73.8	5%	0.047	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.3	-165.3	-64.4	173.1	0	0	0	111.7	V388 K389 V390 L430 V432 F441 P443 A444	V388-L446 HydrophobicContact CB-CB 4.23Å; V388-L446 HydrophobicContact CB-CD2 4.36Å; V388-L446 HydrophobicContact CG2-CD1 4.1Å; V388-L446 HydrophobicContact CG2-CD2 3.98Å; V388-L446 HydrophobicContact CG2-CG 4.44Å; K389-L446 CarbonylContact O-C 3.55Å; K389-L446 WeakPolarHBondContact O-CA 3.28Å; V390-L446 HydrophobicContact CB-CD2 4.34Å; V390-L446 HydrophobicContact CG2-CD2 3.84Å; L430-L446 HydrophobicContact CB-CD1 3.67Å; L430-L446 HydrophobicContact CD1-CB 4.49Å; L430-L446 HydrophobicContact CD1-CD1 3.39Å; L430-L446 HydrophobicContact CG-CD1 4.09Å; V432-L446 HydrophobicContact CG2-CD1 3.75Å; F441-L446 HydrophobicContact CB-CD1 3.51Å; F441-L446 HydrophobicContact CB-CD2 4.21Å; F441-L446 HydrophobicContact CB-CG 3.92Å; F441-L446 HydrophobicContact CD1-CD2 4.46Å; F441-L446 HydrophobicContact CD2-CD2 4.44Å; F441-L446 HydrophobicContact CG-CD1 4.26Å; F441-L446 HydrophobicContact CG-CD2 4.13Å; F441-L446 HydrophobicContact CG-CG 4.38Å; P443-L446 PolarHBondContact O-N 2.9Å; A444-L446 PolarHBondContact O-N 3.05Å
447	T	81	Confident	63.9	Low	78 Å²	78	77.8 Å²	77.8	48%	0.479	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.7	174.9	-47.1	0	0	0	0	109.8	V388 K389	V388-T447 CarbonylContact C-O 3.37Å; V388-T447 VanDerWaalsContact CA-O 3.3Å; V388-T447 WeakPolarHBondContact CA-O 3.17Å; K389-T447 PolarHBondContact N-O 3.17Å; K389-T447 PolarHBondContact O-N 2.9Å
448	A	75.6	Confident	61.3	Low	50 Å²	50	79.4 Å²	79.4	41%	0.413	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.5	-179	0	0	0	0	0	111.8	F382 E386	F382-A448 HydrophobicContact CD1-CB 4.25Å; F382-A448 HydrophobicContact CE1-CB 3.93Å; E386-A448 WeakPolarHBondContact OE1-CB 3.35Å
449	Q	71.6	Confident	58.8	Low	76 Å²	76	82.9 Å²	82.9	36%	0.355	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.3	177.1	-102.8	-98.7	4.2	0	0	108.2	L387 K389 V418 A451	L387-Q449 HydrophobicContact CB-CB 3.88Å; L387-Q449 WeakPolarHBondContact O-CA 3.09Å; L387-Q449 WeakPolarHBondContact O-CB 3.32Å; L387-Q449 PolarHBondContact O-N 2.86Å; L387-Q449 VanDerWaalsContact O-O 3.1Å; K389-Q449 HydrophobicContact CB-CG 4.26Å; V418-Q449 HydrophobicContact CG1-CB 4.28Å; V418-Q449 HydrophobicContact CG1-CG 4.26Å; V418-Q449 HydrophobicContact CG2-CG 4.09Å; Q449-A451 PolarHBondContact O-N 3.17Å
450	P	42.2	Very low	55.7	Low	124 Å²	124	86.4 Å²	86.4	81%	0.805	52%	0.518	S	S	*	.			trans	-69	126	177.4	25.4	-29.4	0	0	0	110.1
451	A	43	Very low	52.9	Low	56 Å²	56	93.1 Å²	93.1	46%	0.463	55%	0.547	S	S	.	.			trans	-136.6	133.2	-175.7	0	0	0	0	0	113.8	L387 Q449	L387-A451 HydrophobicContact CB-CB 3.77Å; L387-A451 HydrophobicContact CD1-CB 3.19Å; L387-A451 HydrophobicContact CG-CB 3.26Å; Q449-A451 PolarHBondContact O-N 3.17Å
452	E	33.1	Very low	50.1	Low	200 Å²	200	100.9 Å²	100.9	94%	0.935	59%	0.589	S	S	*	*			trans	-68.9	151.3	179.7	-65.3	177.2	154.6	0	0	112.4
453	V	33.5	Very low	47.8	Very low	141 Å²	141	105 Å²	105	86%	0.855	62%	0.616	S	S	*	*			trans	-65.7	138.4	-167.7	-119.7	0	0	0	0	113.4
454	D	24.5	Very low	45.3	Very low	156 Å²	156	111.4 Å²	111.4	83%	0.834	65%	0.649	S	S	*	*			trans	-160.1	145.4	137.3	-115.8	-25.3	0	0	0	114.6
455	A	33.6	Very low	43.1	Very low	76 Å²	76	116.8 Å²	116.8	63%	0.628	67%	0.666	S	S	*	*			trans	-90.2	140.9	-172.5	0	0	0	0	0	112.9
456	N	27	Very low	40.7	Very low	161 Å²	161	123.4 Å²	123.4	86%	0.861	71%	0.712	S	S	*	*			trans	151.7	145	138.2	-77.4	-32.7	0	0	0	114.3
457	L	26.4	Very low	38.5	Very low	164 Å²	164	125.3 Å²	125.3	86%	0.859	73%	0.734	S	S	*	*			trans	115.8	93.6	145.7	-140.9	75.1	0	0	0	120.3
458	M	25.6	Very low	36.8	Very low	155 Å²	155	125.4 Å²	125.4	76%	0.764	74%	0.737	S	S	*	*				45.7	117.7	127	-55.7	-55.3	-166.3	0	0	124.6
459	T	36	Very low	36	Very low	124 Å²	124	126 Å²	126	76%	0.761	74%	0.737	S	S	*	*			trans	25	132.5	130.2	54	0	0	0	0	122.8
460	A	27	Very low	35.7	Very low	106 Å²	106	123.5 Å²	123.5	88%	0.876	73%	0.726	S	S	*	*			trans	-145.9	120	143.5	0	0	0	0	0	110.5
461	E	29.4	Very low	36.8	Very low	176 Å²	176	122.5 Å²	122.5	82%	0.822	71%	0.713	S	S	*	*			trans	-90.7	160.7	175.7	-65.3	-176.5	148.7	0	0	111.7
462	N	28.2	Very low	38.1	Very low	164 Å²	164	121.4 Å²	121.4	88%	0.877	70%	0.702	S	S	*	*			trans	-119.8	136	164.7	-119.6	-11.4	0	0	0	109.1
463	P	37	Very low	40	Very low	110 Å²	110	112.3 Å²	112.3	71%	0.714	66%	0.66	S	S	*	*			trans	-102.6	115.1	-166	35.1	-25.5	0	0	0	112
464	N	30.6	Very low	42	Very low	162 Å²	162	106 Å²	106	87%	0.866	62%	0.622	S	S	*	*			trans	-173.2	66.3	147.6	-114.1	10.8	0	0	0	111.6
465	E	31.8	Very low	44.4	Very low	164 Å²	164	104.6 Å²	104.6	77%	0.766	61%	0.61	S	S	*	*			trans	-140.2	107.7	156.1	-82.2	-174.8	168	0	0	107.6	G467	E465-G467 VanDerWaalsContact C-N 3.29Å; E465-G467 PolarHBondContact O-N 3.15Å
466	S	34	Very low	46.5	Very low	140 Å²	140	106.7 Å²	106.7	98%	0.979	61%	0.605	S	S	*	*			trans	-77.8	84.4	171.6	-53.9	0	0	0	0	108.6
467	G	37.3	Very low	48.8	Very low	48 Å²	48	99 Å²	99	50%	0.495	56%	0.564	S	S	.	*	S	Bend	trans	-166	138.9	170.7	0	0	0	0	0	107.4	E465 T469	E465-G467 VanDerWaalsContact C-N 3.29Å; E465-G467 PolarHBondContact O-N 3.15Å; G467-T469 PolarHBondContact O-N 2.86Å
468	S	44.8	Very low	51.1	Low	80 Å²	80	94.5 Å²	94.5	56%	0.559	54%	0.54	S	S	*	.			trans	-60.4	112.1	179.3	79.4	0	0	0	0	108.2	V470	S468-V470 PolarHBondContact O-N 3.12Å
469	T	59.6	Low	53.4	Low	64 Å²	64	91.7 Å²	91.7	39%	0.393	54%	0.535	S	S	.	.			trans	-58	137.9	-175	52.7	0	0	0	0	109	G467 I471 S472 V473	G467-T469 PolarHBondContact O-N 2.86Å; T469-I471 PolarHBondContact O-N 2.75Å; T469-S472 PolarHBondContact O-N 3.13Å; T469-S472 PolarHBondContact O-OG 2.8Å; T469-V473 PolarHBondContact O-N 3.08Å
470	V	65.3	Low	55	Low	23 Å²	23	89.2 Å²	89.2	14%	0.139	52%	0.515	C	S	.	.	H	α-helix	trans	-49.5	-31.8	178.8	172.5	0	0	0	0	111.4	S468 V473 L474 Y558	S468-V470 PolarHBondContact O-N 3.12Å; V470-V473 PolarHBondContact O-N 3.1Å; V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 WeakPolarHBondContact O-CD1 3.48Å; V470-L474 VanDerWaalsContact O-CG 3.32Å; V470-L474 WeakPolarHBondContact O-CG 3.27Å; V470-L474 PolarHBondContact O-N 3.44Å; V470-Y558 HydrophobicContact CG1-CD1 4.32Å; V470-Y558 HydrophobicContact CG1-CE1 3.82Å; V470-Y558 HydrophobicContact CG2-CE1 4.35Å
471	I	65.9	Low	56.5	Low	103 Å²	103	88.8 Å²	88.8	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-59.6	-51.1	173.2	-58.3	173.3	0	0	0	112.4	T469 V473 L474 E475	T469-I471 PolarHBondContact O-N 2.75Å; I471-V473 VanDerWaalsContact C-N 3.27Å; I471-V473 PolarHBondContact O-N 3.08Å; I471-L474 WeakPolarHBondContact O-CB 3.23Å; I471-L474 PolarHBondContact O-N 3.08Å; I471-E475 WeakPolarHBondContact O-CG 3.47Å; I471-E475 PolarHBondContact O-N 3.13Å
472	S	69.9	Low	58	Low	32 Å²	32	83.1 Å²	83.1	22%	0.224	48%	0.483	C	S	.	.	H	α-helix	trans	-61.1	-34.4	-179.6	70.7	0	0	0	0	113.4	T469 K476	T469-S472 PolarHBondContact O-N 3.13Å; T469-S472 PolarHBondContact O-OG 2.8Å; S472-K476 WeakPolarHBondContact O-CG 3.44Å; S472-K476 PolarHBondContact O-N 2.8Å
473	V	73.3	Confident	59.4	Low	9 Å²	9	83.9 Å²	83.9	6%	0.055	48%	0.482	C	S	.	.	H	α-helix	trans	-73.3	-38.7	175	170.4	0	0	0	0	110.9	T469 V470 I471 K476 L477 Q518 K520	T469-V473 PolarHBondContact O-N 3.08Å; V470-V473 PolarHBondContact O-N 3.1Å; I471-V473 VanDerWaalsContact C-N 3.27Å; I471-V473 PolarHBondContact O-N 3.08Å; V473-K476 PolarHBondContact O-N 3.14Å; V473-L477 HydrophobicContact CG1-CD1 3.98Å; V473-L477 HydrophobicContact CG1-CG 4.43Å; V473-L477 WeakPolarHBondContact O-CG 3.33Å; V473-L477 PolarHBondContact O-N 2.78Å; V473-Q518 HydrophobicContact CG1-CB 3.98Å; V473-K520 HydrophobicContact CG1-CD 3.74Å
474	L	73.8	Confident	60.5	Low	10 Å²	10	85.3 Å²	85.3	5%	0.052	48%	0.479	C	S	.	.	H	α-helix	trans	-62.2	-43.9	174.7	-77	162	0	0	0	111.6	V470 I471 K476 L477 L478 V525 H528 Q529	V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 WeakPolarHBondContact O-CD1 3.48Å; V470-L474 VanDerWaalsContact O-CG 3.32Å; V470-L474 WeakPolarHBondContact O-CG 3.27Å; V470-L474 PolarHBondContact O-N 3.44Å; I471-L474 WeakPolarHBondContact O-CB 3.23Å; I471-L474 PolarHBondContact O-N 3.08Å; L474-K476 VanDerWaalsContact C-N 3.33Å; L474-K476 PolarHBondContact O-N 3.45Å; L474-L477 PolarHBondContact O-N 3.29Å; L474-L477 VanDerWaalsContact O-N 3.16Å; L474-L478 WeakPolarHBondContact O-CB 3.46Å; L474-L478 WeakPolarHBondContact O-CG 3.48Å; L474-L478 PolarHBondContact O-N 2.88Å; L474-V525 HydrophobicContact CD2-CG1 3.77Å; L474-H528 WeakPolarHBondContact CD1-CE1 3.34Å; L474-H528 WeakPolarHBondContact CD1-ND1 3.37Å; L474-Q529 HydrophobicContact CD2-CG 4.07Å
475	E	76	Confident	62.2	Low	125 Å²	125	82.2 Å²	82.2	58%	0.584	46%	0.462	S	S	*	.	H	α-helix	trans	-61	-41	176	-71.4	175.5	172.6	0	0	112.2	I471 L478 S479	I471-E475 WeakPolarHBondContact O-CG 3.47Å; I471-E475 PolarHBondContact O-N 3.13Å; E475-L478 PolarHBondContact O-N 3.12Å; E475-S479 WeakPolarHBondContact O-CB 3.42Å; E475-S479 PolarHBondContact O-N 2.84Å; E475-S479 VanDerWaalsContact O-N 3.14Å; E475-S479 PolarHBondContact O-OG 2.8Å
476	K	77.6	Confident	64.6	Low	120 Å²	120	77.3 Å²	77.3	52%	0.522	44%	0.441	S	S	.	.	H	α-helix	trans	-64.5	-39.9	173.3	-72.8	174.8	-176.3	174.7	0	112.2	S472 V473 L474 S479 Q480	S472-K476 WeakPolarHBondContact O-CG 3.44Å; S472-K476 PolarHBondContact O-N 2.8Å; V473-K476 PolarHBondContact O-N 3.14Å; L474-K476 VanDerWaalsContact C-N 3.33Å; L474-K476 PolarHBondContact O-N 3.45Å; K476-S479 WeakPolarHBondContact CA-OG 3.43Å; K476-S479 PolarHBondContact O-N 3.24Å; K476-S479 PolarHBondContact O-OG 2.82Å; K476-S479 VanDerWaalsContact O-OG 3.1Å; K476-Q480 WeakPolarHBondContact O-CG 3.43Å; K476-Q480 PolarHBondContact O-N 2.88Å
477	L	75.6	Confident	66.7	Low	0 Å²	0	71.8 Å²	71.8	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-68.9	-38	177.6	-72.9	168.6	0	0	0	111.9	V473 L474 S479 V491 I492 N517 Q518 V525	V473-L477 HydrophobicContact CG1-CD1 3.98Å; V473-L477 HydrophobicContact CG1-CG 4.43Å; V473-L477 WeakPolarHBondContact O-CG 3.33Å; V473-L477 PolarHBondContact O-N 2.78Å; L474-L477 PolarHBondContact O-N 3.29Å; L474-L477 VanDerWaalsContact O-N 3.16Å; L477-S479 VanDerWaalsContact C-N 3.27Å; L477-S479 PolarHBondContact O-N 3.11Å; L477-V491 HydrophobicContact CD1-CG1 4.25Å; L477-I492 HydrophobicContact CD2-CG1 4.3Å; L477-N517 HydrophobicContact CD2-CB 4.35Å; L477-Q518 HydrophobicContact CD2-CG 4.31Å; L477-V525 HydrophobicContact CD1-CG2 4.21Å
478	L	74.9	Confident	68.8	Low	70 Å²	70	70 Å²	70	37%	0.366	38%	0.384	S	S	.	.	H	α-helix	trans	-72.1	-18.4	178.7	-69.8	167.6	0	0	0	113.5	L474 E475 A495 H496	L474-L478 WeakPolarHBondContact O-CB 3.46Å; L474-L478 WeakPolarHBondContact O-CG 3.48Å; L474-L478 PolarHBondContact O-N 2.88Å; E475-L478 PolarHBondContact O-N 3.12Å; L478-A495 HydrophobicContact CD2-CB 4.23Å; L478-H496 VanDerWaalsContact CD2-CE1 3.48Å; L478-H496 WeakPolarHBondContact CD2-CE1 3.46Å; L478-H496 WeakPolarHBondContact CD2-ND1 3.37Å
479	S	72.6	Confident	70.8	Confident	95 Å²	95	68.8 Å²	68.8	66%	0.664	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-4.3	179.5	51.2	0	0	0	0	114.2	E475 K476 L477	E475-S479 WeakPolarHBondContact O-CB 3.42Å; E475-S479 PolarHBondContact O-N 2.84Å; E475-S479 VanDerWaalsContact O-N 3.14Å; E475-S479 PolarHBondContact O-OG 2.8Å; K476-S479 WeakPolarHBondContact CA-OG 3.43Å; K476-S479 PolarHBondContact O-N 3.24Å; K476-S479 PolarHBondContact O-OG 2.82Å; K476-S479 VanDerWaalsContact O-OG 3.1Å; L477-S479 VanDerWaalsContact C-N 3.27Å; L477-S479 PolarHBondContact O-N 3.11Å
480	Q	70.9	Confident	72.2	Confident	72 Å²	72	66 Å²	66	34%	0.336	35%	0.35	S	S	.	.	S	Bend	trans	-74.6	138.2	177	-79.6	174.9	5.9	0	0	111.8	K476 I492	K476-Q480 WeakPolarHBondContact O-CG 3.43Å; K476-Q480 PolarHBondContact O-N 2.88Å; Q480-I492 HydrophobicContact CB-CD1 3.97Å; Q480-I492 VanDerWaalsContact OE1-CD1 3.31Å
481	S	58.3	Low	73.5	Confident	97 Å²	97	65 Å²	65	68%	0.678	34%	0.344	S	S	*	.			trans	-71.4	140.3	-178.7	68.9	0	0	0	0	112.4	E483	S481-E483 VanDerWaalsContact C-N 3.31Å; S481-E483 PolarHBondContact O-N 3.04Å
482	T	61.5	Low	74.5	Confident	57 Å²	57	60.5 Å²	60.5	35%	0.35	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	10.5	-173.9	54.9	0	0	0	0	114.7	R489	T482-R489 VanDerWaalsContact O-CZ 3.3Å; T482-R489 PolarHBondContact O-NH1 2.94Å
483	E	57.3	Low	75.4	Confident	181 Å²	181	59 Å²	59	85%	0.846	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-11.5	-165.2	-61.3	-150	161.1	0	0	115.2	S481	S481-E483 VanDerWaalsContact C-N 3.31Å; S481-E483 PolarHBondContact O-N 3.04Å
484	Q	59.7	Low	76.2	Confident	140 Å²	140	58.6 Å²	58.6	65%	0.654	31%	0.308	S	S	*	.	S	Bend	trans	-98.3	125.9	178.7	-73.8	172.5	-6.2	0	0	112.1	N486	Q484-N486 PolarHBondContact O-N 3.15Å
485	D	67.1	Low	76.9	Confident	97 Å²	97	58.2 Å²	58.2	52%	0.519	31%	0.306	S	S	.	.			trans	-79.7	77.5	176.9	-178.4	26.4	0	0	0	110.8	K508 Y509	D485-K508 IonicContact OD1-NZ 2.85Å; D485-K508 PolarHBondContact OD1-NZ 2.85Å; D485-K508 IonicContact OD2-NZ 2.57Å; D485-K508 PolarHBondContact OD2-NZ 3.37Å; D485-Y509 PolarHBondContact OD1-OH 3.17Å
486	N	82	Confident	77.3	Confident	60 Å²	60	56.1 Å²	56.1	32%	0.321	30%	0.296	S	S	.	.			trans	-123.1	154.8	176.6	70.9	49.8	0	0	0	111.3	Q484 G488 R489	Q484-N486 PolarHBondContact O-N 3.15Å; N486-G488 PolarHBondContact O-N 3.4Å; N486-G488 WeakPolarHBondContact OD1-CA 3.38Å; N486-G488 PolarHBondContact OD1-N 3.08Å; N486-R489 WeakPolarHBondContact O-CB 3.35Å; N486-R489 PolarHBondContact O-N 3.21Å; N486-R489 PolarHBondContact OD1-N 2.83Å
487	P	77.4	Confident	77.9	Confident	24 Å²	24	51.6 Å²	51.6	16%	0.156	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.6	177.5	-23.4	33.8	0	0	0	113.9	R489 L490 Y509 K512 I515	P487-R489 PolarHBondContact O-N 3.34Å; P487-L490 WeakPolarHBondContact O-CB 3.44Å; P487-L490 PolarHBondContact O-N 3.49Å; P487-L490 VanDerWaalsContact O-N 3.11Å; P487-Y509 HydrophobicContact CB-CD2 4.28Å; P487-Y509 HydrophobicContact CB-CG 4.37Å; P487-Y509 HydrophobicContact CG-CD1 4.11Å; P487-Y509 HydrophobicContact CG-CD2 4.16Å; P487-Y509 HydrophobicContact CG-CE1 4.16Å; P487-Y509 HydrophobicContact CG-CE2 4.2Å; P487-Y509 HydrophobicContact CG-CG 4.11Å; P487-K512 HydrophobicContact CB-CB 4.33Å; P487-K512 HydrophobicContact CB-CD 3.83Å; P487-K512 HydrophobicContact CG-CD 3.74Å; P487-I515 HydrophobicContact CB-CD1 3.77Å; P487-I515 WeakPolarHBondContact O-CG2 3.49Å
488	G	80.9	Confident	78.6	Confident	12 Å²	12	53.2 Å²	53.2	12%	0.124	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.7	177.2	0	0	0	0	0	114.1	N486 L490 V491 N517	N486-G488 PolarHBondContact O-N 3.4Å; N486-G488 WeakPolarHBondContact OD1-CA 3.38Å; N486-G488 PolarHBondContact OD1-N 3.08Å; G488-L490 PolarHBondContact O-N 3.29Å; G488-V491 PolarHBondContact O-N 2.96Å; G488-N517 PolarHBondContact O-ND2 2.9Å
489	R	86.9	Confident	79.4	Confident	54 Å²	54	51 Å²	51	20%	0.204	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-23.2	171	-173.1	175.6	171.6	-164.3	1.1	112.5	T482 N486 P487 V491 I492 E493 L505	T482-R489 VanDerWaalsContact O-CZ 3.3Å; T482-R489 PolarHBondContact O-NH1 2.94Å; N486-R489 WeakPolarHBondContact O-CB 3.35Å; N486-R489 PolarHBondContact O-N 3.21Å; N486-R489 PolarHBondContact OD1-N 2.83Å; P487-R489 PolarHBondContact O-N 3.34Å; R489-V491 PolarHBondContact O-N 2.89Å; R489-I492 PolarHBondContact O-N 2.81Å; R489-I492 VanDerWaalsContact O-N 3.12Å; R489-E493 HydrophobicContact CG-CG 3.89Å; R489-E493 IonicContact CZ-OE1 3.15Å; R489-E493 IonicContact NE-OE1 3.33Å; R489-E493 PolarHBondContact NE-OE1 3.46Å; R489-E493 IonicContact NH2-OE1 2.69Å; R489-E493 PolarHBondContact NH2-OE1 2.95Å; R489-E493 WeakPolarHBondContact O-CG 3.32Å; R489-E493 PolarHBondContact O-N 2.96Å; R489-L505 HydrophobicContact CB-CD1 4.38Å; R489-L505 HydrophobicContact CG-CD1 4.24Å
490	L	90.1	Very high	80.3	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-54.6	-41.3	175.5	-178.1	61.9	0	0	0	111.8	P487 G488 A494 V502 L505 V506 V513 I515 A522 L538	P487-L490 WeakPolarHBondContact O-CB 3.44Å; P487-L490 PolarHBondContact O-N 3.49Å; P487-L490 VanDerWaalsContact O-N 3.11Å; G488-L490 PolarHBondContact O-N 3.29Å; L490-A494 WeakPolarHBondContact O-CB 3.43Å; L490-A494 PolarHBondContact O-N 2.99Å; L490-V502 HydrophobicContact CD1-CB 4.38Å; L490-V502 HydrophobicContact CD1-CG1 3.91Å; L490-V502 HydrophobicContact CD1-CG2 4.4Å; L490-L505 HydrophobicContact CD1-CB 4.08Å; L490-V506 HydrophobicContact CD1-CG2 3.74Å; L490-V506 HydrophobicContact CD2-CG2 4.23Å; L490-V513 WeakPolarHBondContact CD2-O 3.45Å; L490-I515 HydrophobicContact CB-CG2 4.48Å; L490-I515 HydrophobicContact CD2-CG2 4.43Å; L490-A522 HydrophobicContact CD2-CB 4.24Å; L490-A522 HydrophobicContact CG-CB 3.83Å; L490-L538 HydrophobicContact CD1-CD2 4.22Å; L490-L538 HydrophobicContact CD2-CD2 4.36Å; L490-L538 HydrophobicContact CG-CD2 4.49Å
491	V	91	Very high	81.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-38.2	179.4	-173	0	0	0	0	111.5	L477 G488 R489 A494 A495 N517 A522 V525	L477-V491 HydrophobicContact CD1-CG1 4.25Å; G488-V491 PolarHBondContact O-N 2.96Å; R489-V491 PolarHBondContact O-N 2.89Å; V491-A494 PolarHBondContact O-N 2.92Å; V491-A495 PolarHBondContact O-N 3.49Å; V491-N517 HydrophobicContact CB-CB 3.77Å; V491-N517 HydrophobicContact CG1-CB 4.09Å; V491-N517 HydrophobicContact CG2-CB 3.73Å; V491-A522 HydrophobicContact CG2-CB 4.31Å; V491-V525 HydrophobicContact CG1-CB 4.41Å; V491-V525 HydrophobicContact CG1-CG2 3.85Å
492	I	87.6	Confident	82.9	Confident	10 Å²	10	48 Å²	48	5%	0.051	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-49.2	178.3	-58	170.9	0	0	0	110.2	L477 Q480 R489 A494 A495 H496	L477-I492 HydrophobicContact CD2-CG1 4.3Å; Q480-I492 HydrophobicContact CB-CD1 3.97Å; Q480-I492 VanDerWaalsContact OE1-CD1 3.31Å; R489-I492 PolarHBondContact O-N 2.81Å; R489-I492 VanDerWaalsContact O-N 3.12Å; I492-A494 VanDerWaalsContact C-N 3.26Å; I492-A494 PolarHBondContact O-N 3.47Å; I492-A495 WeakPolarHBondContact O-CA 3.29Å; I492-A495 VanDerWaalsContact O-CB 3.29Å; I492-A495 WeakPolarHBondContact O-CB 3.34Å; I492-A495 PolarHBondContact O-N 3.42Å; I492-H496 PolarHBondContact O-CD2 3.31Å; I492-H496 PolarHBondContact O-N 2.88Å; I492-H496 VanDerWaalsContact O-N 3.09Å
493	E	89.1	Confident	84.5	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-29.6	179.2	-64.2	-68.3	178	0	0	111.9	R489 H496 G497 S498 K501 V502 L505	R489-E493 HydrophobicContact CG-CG 3.89Å; R489-E493 IonicContact CZ-OE1 3.15Å; R489-E493 IonicContact NE-OE1 3.33Å; R489-E493 PolarHBondContact NE-OE1 3.46Å; R489-E493 IonicContact NH2-OE1 2.69Å; R489-E493 PolarHBondContact NH2-OE1 2.95Å; R489-E493 WeakPolarHBondContact O-CG 3.32Å; R489-E493 PolarHBondContact O-N 2.96Å; E493-H496 PolarHBondContact O-N 2.68Å; E493-G497 PolarHBondContact O-N 3.15Å; E493-S498 PolarHBondContact O-N 3.17Å; E493-S498 WeakPolarHBondContact OE2-CB 3.06Å; E493-S498 PolarHBondContact OE2-OG 2.92Å; E493-S498 VanDerWaalsContact OE2-OG 3.09Å; E493-K501 HydrophobicContact CB-CB 4.43Å; E493-K501 HydrophobicContact CG-CB 4.28Å; E493-K501 HydrophobicContact CG-CD 4.26Å; E493-K501 WeakPolarHBondContact OE1-CD 3.15Å; E493-K501 IonicContact OE1-NZ 2.74Å; E493-K501 PolarHBondContact OE1-NZ 2.65Å; E493-K501 VanDerWaalsContact OE1-NZ 3.14Å; E493-K501 WeakPolarHBondContact OE2-CD 3.35Å; E493-K501 IonicContact OE2-NZ 3.61Å; E493-K501 PolarHBondContact OE2-NZ 3.19Å; E493-V502 HydrophobicContact CB-CG2 4.11Å; E493-L505 HydrophobicContact CB-CD1 4.43Å; E493-L505 HydrophobicContact CG-CD1 4.1Å
494	A	90.5	Very high	86.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-38.2	169.3	0	0	0	0	0	112.3	L490 V491 I492 H496 G497 V502 A522 A526 H531 V534	L490-A494 WeakPolarHBondContact O-CB 3.43Å; L490-A494 PolarHBondContact O-N 2.99Å; V491-A494 PolarHBondContact O-N 2.92Å; I492-A494 VanDerWaalsContact C-N 3.26Å; I492-A494 PolarHBondContact O-N 3.47Å; A494-H496 VanDerWaalsContact C-N 3.33Å; A494-H496 PolarHBondContact O-N 3Å; A494-G497 PolarHBondContact O-N 3Å; A494-V502 HydrophobicContact CB-CG2 4.4Å; A494-A522 HydrophobicContact CB-CB 3.8Å; A494-A526 HydrophobicContact CB-CB 4.38Å; A494-H531 PolarHBondContact O-CD2 3.01Å; A494-V534 HydrophobicContact CB-CG1 3.87Å
495	A	88.1	Confident	87.6	Confident	2 Å²	2	41.8 Å²	41.8	2%	0.017	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-38	174	0	0	0	0	0	112.8	L478 V491 I492 G497 V525 H531	L478-A495 HydrophobicContact CD2-CB 4.23Å; V491-A495 PolarHBondContact O-N 3.49Å; I492-A495 WeakPolarHBondContact O-CA 3.29Å; I492-A495 VanDerWaalsContact O-CB 3.29Å; I492-A495 WeakPolarHBondContact O-CB 3.34Å; I492-A495 PolarHBondContact O-N 3.42Å; A495-G497 VanDerWaalsContact C-N 3.31Å; A495-V525 HydrophobicContact CB-CG1 3.53Å; A495-H531 PolarHBondContact O-NE2 3.23Å
496	H	84.4	Confident	88.8	Confident	80 Å²	80	37.8 Å²	37.8	37%	0.37	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10	177.1	-69.3	-64.2	0	0	0	114.3	L478 I492 E493 A494 S498	L478-H496 VanDerWaalsContact CD2-CE1 3.48Å; L478-H496 WeakPolarHBondContact CD2-CE1 3.46Å; L478-H496 WeakPolarHBondContact CD2-ND1 3.37Å; I492-H496 PolarHBondContact O-CD2 3.31Å; I492-H496 PolarHBondContact O-N 2.88Å; I492-H496 VanDerWaalsContact O-N 3.09Å; E493-H496 PolarHBondContact O-N 2.68Å; A494-H496 VanDerWaalsContact C-N 3.33Å; A494-H496 PolarHBondContact O-N 3Å; H496-S498 VanDerWaalsContact C-N 3.34Å
497	G	89.3	Confident	89.3	Confident	25 Å²	25	41.9 Å²	41.9	26%	0.258	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	15.3	-178.9	0	0	0	0	0	114.5	E493 A494 A495 A499 H531	E493-G497 PolarHBondContact O-N 3.15Å; A494-G497 PolarHBondContact O-N 3Å; A495-G497 VanDerWaalsContact C-N 3.31Å; G497-A499 VanDerWaalsContact C-N 3.34Å; G497-A499 PolarHBondContact O-N 2.74Å; G497-H531 VanDerWaalsContact CA-CD2 3.48Å; G497-H531 WeakPolarHBondContact CA-CD2 3.21Å; G497-H531 PolarHBondContact N-NE2 2.92Å
498	S	90.2	Very high	89.9	Confident	35 Å²	35	46 Å²	46	25%	0.245	23%	0.228	C	C	.	.			trans	-75.5	73.9	-175.7	-62.8	0	0	0	0	112.6	E493 H496 N500 K501 V502	E493-S498 PolarHBondContact O-N 3.17Å; E493-S498 WeakPolarHBondContact OE2-CB 3.06Å; E493-S498 PolarHBondContact OE2-OG 2.92Å; E493-S498 VanDerWaalsContact OE2-OG 3.09Å; H496-S498 VanDerWaalsContact C-N 3.34Å; S498-N500 VanDerWaalsContact C-N 3.26Å; S498-N500 PolarHBondContact O-N 3.23Å; S498-N500 VanDerWaalsContact O-N 3.13Å; S498-K501 PolarHBondContact O-N 3.48Å; S498-K501 VanDerWaalsContact O-N 3.16Å; S498-V502 WeakPolarHBondContact O-CG2 3.49Å; S498-V502 PolarHBondContact O-N 2.96Å
499	A	92.3	Very high	90.4	Very high	22 Å²	22	48.1 Å²	48.1	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-54.8	-35.5	-175.4	0	0	0	0	0	114.6	G497 R503 E533 V534	G497-A499 VanDerWaalsContact C-N 3.34Å; G497-A499 PolarHBondContact O-N 2.74Å; A499-R503 WeakPolarHBondContact O-CB 3.37Å; A499-R503 PolarHBondContact O-N 3.15Å; A499-E533 HydrophobicContact CB-CB 4.23Å; A499-V534 HydrophobicContact CB-CG2 4.14Å
500	N	92.1	Very high	90.4	Very high	122 Å²	122	49.3 Å²	49.3	65%	0.652	25%	0.248	S	C	*	.	H	α-helix	trans	-66.1	-48.8	178.2	-67.3	-16.5	0	0	0	111.9	S498 V502 R503 E504	S498-N500 VanDerWaalsContact C-N 3.26Å; S498-N500 PolarHBondContact O-N 3.23Å; S498-N500 VanDerWaalsContact O-N 3.13Å; N500-V502 VanDerWaalsContact C-N 3.34Å; N500-V502 PolarHBondContact O-N 2.89Å; N500-R503 WeakPolarHBondContact O-CB 3.33Å; N500-R503 PolarHBondContact O-N 3.37Å; N500-E504 WeakPolarHBondContact O-CG 3.39Å; N500-E504 PolarHBondContact O-N 2.8Å
501	K	90.9	Very high	90.3	Very high	79 Å²	79	56.8 Å²	56.8	34%	0.343	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-36.8	178.5	-67.6	176.5	174.7	175.9	0	112.1	E493 S498 R503 E504 L505	E493-K501 HydrophobicContact CB-CB 4.43Å; E493-K501 HydrophobicContact CG-CB 4.28Å; E493-K501 HydrophobicContact CG-CD 4.26Å; E493-K501 WeakPolarHBondContact OE1-CD 3.15Å; E493-K501 IonicContact OE1-NZ 2.74Å; E493-K501 PolarHBondContact OE1-NZ 2.65Å; E493-K501 VanDerWaalsContact OE1-NZ 3.14Å; E493-K501 WeakPolarHBondContact OE2-CD 3.35Å; E493-K501 IonicContact OE2-NZ 3.61Å; E493-K501 PolarHBondContact OE2-NZ 3.19Å; S498-K501 PolarHBondContact O-N 3.48Å; S498-K501 VanDerWaalsContact O-N 3.16Å; K501-R503 VanDerWaalsContact C-N 3.31Å; K501-R503 PolarHBondContact O-N 3.05Å; K501-E504 PolarHBondContact O-N 3.14Å; K501-L505 WeakPolarHBondContact O-CB 3.46Å; K501-L505 WeakPolarHBondContact O-CG 3.18Å; K501-L505 PolarHBondContact O-N 3.45Å
502	V	93.2	Very high	90.3	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-45.4	172.1	168.5	0	0	0	0	110	L490 E493 A494 S498 N500 E504 L505 V506 V534 T537 L538	L490-V502 HydrophobicContact CD1-CB 4.38Å; L490-V502 HydrophobicContact CD1-CG1 3.91Å; L490-V502 HydrophobicContact CD1-CG2 4.4Å; E493-V502 HydrophobicContact CB-CG2 4.11Å; A494-V502 HydrophobicContact CB-CG2 4.4Å; S498-V502 WeakPolarHBondContact O-CG2 3.49Å; S498-V502 PolarHBondContact O-N 2.96Å; N500-V502 VanDerWaalsContact C-N 3.34Å; N500-V502 PolarHBondContact O-N 2.89Å; V502-E504 PolarHBondContact O-N 3.41Å; V502-L505 PolarHBondContact O-N 3.4Å; V502-V506 HydrophobicContact CG1-CG2 4.25Å; V502-V506 VanDerWaalsContact O-CB 3.28Å; V502-V506 WeakPolarHBondContact O-CB 3.34Å; V502-V506 WeakPolarHBondContact O-CG2 3.42Å; V502-V506 PolarHBondContact O-N 2.83Å; V502-V534 HydrophobicContact CG1-CG1 4.25Å; V502-V534 HydrophobicContact CG2-CG1 4.09Å; V502-V534 HydrophobicContact CG2-CG2 4.43Å; V502-T537 HydrophobicContact CG1-CG2 4.19Å; V502-L538 HydrophobicContact CG1-CD2 3.88Å; V502-L538 HydrophobicContact CG1-CG 4.13Å
503	R	94.1	Very high	90.5	Very high	110 Å²	110	61.9 Å²	61.9	42%	0.415	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-44.3	177	-171	-176.9	-59.1	-98.9	-8.4	112.4	A499 N500 K501 Q507 T537	A499-R503 WeakPolarHBondContact O-CB 3.37Å; A499-R503 PolarHBondContact O-N 3.15Å; N500-R503 WeakPolarHBondContact O-CB 3.33Å; N500-R503 PolarHBondContact O-N 3.37Å; K501-R503 VanDerWaalsContact C-N 3.31Å; K501-R503 PolarHBondContact O-N 3.05Å; R503-Q507 WeakPolarHBondContact O-CB 3.36Å; R503-Q507 VanDerWaalsContact O-CG 3.29Å; R503-Q507 WeakPolarHBondContact O-CG 3.49Å; R503-Q507 PolarHBondContact O-N 3.19Å; R503-T537 HydrophobicContact CB-CG2 3.97Å; R503-T537 HydrophobicContact CG-CG2 4.37Å
504	E	91.8	Very high	90.7	Very high	124 Å²	124	64.4 Å²	64.4	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-61.4	-47.9	176.4	-70.6	169.6	-170.6	0	0	111.9	N500 K501 V502 V506 Q507 K508	N500-E504 WeakPolarHBondContact O-CG 3.39Å; N500-E504 PolarHBondContact O-N 2.8Å; K501-E504 PolarHBondContact O-N 3.14Å; V502-E504 PolarHBondContact O-N 3.41Å; E504-V506 PolarHBondContact O-N 3.24Å; E504-Q507 PolarHBondContact O-N 2.85Å; E504-K508 WeakPolarHBondContact O-CB 3.32Å; E504-K508 PolarHBondContact O-N 3.03Å
505	L	91.1	Very high	90.7	Very high	15 Å²	15	66.8 Å²	66.8	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-39.3	-179.4	-73.9	171.1	0	0	0	112.3	R489 L490 E493 K501 V502 K508 Y509	R489-L505 HydrophobicContact CB-CD1 4.38Å; R489-L505 HydrophobicContact CG-CD1 4.24Å; L490-L505 HydrophobicContact CD1-CB 4.08Å; E493-L505 HydrophobicContact CB-CD1 4.43Å; E493-L505 HydrophobicContact CG-CD1 4.1Å; K501-L505 WeakPolarHBondContact O-CB 3.46Å; K501-L505 WeakPolarHBondContact O-CG 3.18Å; K501-L505 PolarHBondContact O-N 3.45Å; V502-L505 PolarHBondContact O-N 3.4Å; L505-K508 PolarHBondContact O-N 3.16Å; L505-Y509 HydrophobicContact CD2-CE2 4.28Å; L505-Y509 WeakPolarHBondContact O-CD2 3.43Å; L505-Y509 PolarHBondContact O-N 3.42Å
506	V	92.5	Very high	90.8	Very high	12 Å²	12	70.5 Å²	70.5	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-68.3	-38	177.1	165.4	0	0	0	0	111.7	L490 V502 E504 K508 Y509 P510 V513 L538 A541	L490-V506 HydrophobicContact CD1-CG2 3.74Å; L490-V506 HydrophobicContact CD2-CG2 4.23Å; V502-V506 HydrophobicContact CG1-CG2 4.25Å; V502-V506 VanDerWaalsContact O-CB 3.28Å; V502-V506 WeakPolarHBondContact O-CB 3.34Å; V502-V506 WeakPolarHBondContact O-CG2 3.42Å; V502-V506 PolarHBondContact O-N 2.83Å; E504-V506 PolarHBondContact O-N 3.24Å; V506-K508 VanDerWaalsContact C-N 3.33Å; V506-Y509 CarbonylContact O-C 3.49Å; V506-P510 WeakPolarHBondContact O-CA 3.48Å; V506-V513 HydrophobicContact CG1-CG2 4.07Å; V506-V513 HydrophobicContact CG2-CG2 4.42Å; V506-L538 HydrophobicContact CG2-CD2 4.11Å; V506-A541 HydrophobicContact CB-CB 4.46Å; V506-A541 HydrophobicContact CG1-CB 3.09Å
507	Q	91.4	Very high	90.9	Very high	147 Å²	147	68.3 Å²	68.3	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-66.9	-35.5	173.4	-76.1	175.9	-4.7	0	0	112.2	R503 E504	R503-Q507 WeakPolarHBondContact O-CB 3.36Å; R503-Q507 VanDerWaalsContact O-CG 3.29Å; R503-Q507 WeakPolarHBondContact O-CG 3.49Å; R503-Q507 PolarHBondContact O-N 3.19Å; E504-Q507 PolarHBondContact O-N 2.85Å
508	K	91.3	Very high	90.6	Very high	110 Å²	110	70.4 Å²	70.4	48%	0.478	35%	0.346	S	S	.	.	H	α-helix	trans	-75.3	-34.3	179.1	-170.6	175.8	177	-178.4	0	112.9	D485 E504 L505 V506	D485-K508 IonicContact OD1-NZ 2.85Å; D485-K508 PolarHBondContact OD1-NZ 2.85Å; D485-K508 IonicContact OD2-NZ 2.57Å; D485-K508 PolarHBondContact OD2-NZ 3.37Å; E504-K508 WeakPolarHBondContact O-CB 3.32Å; E504-K508 PolarHBondContact O-N 3.03Å; L505-K508 PolarHBondContact O-N 3.16Å; V506-K508 VanDerWaalsContact C-N 3.33Å
509	Y	89.6	Confident	90.4	Very high	56 Å²	56	69.8 Å²	69.8	22%	0.22	35%	0.345	C	S	.	.			trans	-129.2	64.6	-177.4	-53	-67.8	0	0	0	112.1	D485 P487 L505 V506 D511 K512	D485-Y509 PolarHBondContact OD1-OH 3.17Å; P487-Y509 HydrophobicContact CB-CD2 4.28Å; P487-Y509 HydrophobicContact CB-CG 4.37Å; P487-Y509 HydrophobicContact CG-CD1 4.11Å; P487-Y509 HydrophobicContact CG-CD2 4.16Å; P487-Y509 HydrophobicContact CG-CE1 4.16Å; P487-Y509 HydrophobicContact CG-CE2 4.2Å; P487-Y509 HydrophobicContact CG-CG 4.11Å; L505-Y509 HydrophobicContact CD2-CE2 4.28Å; L505-Y509 WeakPolarHBondContact O-CD2 3.43Å; L505-Y509 PolarHBondContact O-N 3.42Å; V506-Y509 CarbonylContact O-C 3.49Å; Y509-D511 VanDerWaalsContact C-N 3.26Å; Y509-D511 PolarHBondContact O-N 2.82Å; Y509-K512 PolarHBondContact O-N 2.76Å; Y509-K512 VanDerWaalsContact O-N 3.08Å
510	P	87.6	Confident	90.3	Very high	80 Å²	80	69.3 Å²	69.3	52%	0.519	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-63.4	-27.8	-174.4	25.3	-34.8	0	0	0	113.8	V506 K512 V513	V506-P510 WeakPolarHBondContact O-CA 3.48Å; P510-K512 VanDerWaalsContact C-N 3.26Å; P510-K512 PolarHBondContact O-N 3.32Å; P510-V513 WeakPolarHBondContact O-CG2 3.46Å
511	D	88.7	Confident	90.4	Very high	163 Å²	163	63.6 Å²	63.6	87%	0.872	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-82.3	-1.3	179.1	-55.4	-38.4	0	0	0	113.5	Y509	Y509-D511 VanDerWaalsContact C-N 3.26Å; Y509-D511 PolarHBondContact O-N 2.82Å
512	K	90.6	Very high	90.5	Very high	110 Å²	110	59.9 Å²	59.9	48%	0.478	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-123.5	24	-173.4	-61.7	-171.9	176.9	-177.4	0	113.5	P487 Y509 P510 D514 I515	P487-K512 HydrophobicContact CB-CB 4.33Å; P487-K512 HydrophobicContact CB-CD 3.83Å; P487-K512 HydrophobicContact CG-CD 3.74Å; Y509-K512 PolarHBondContact O-N 2.76Å; Y509-K512 VanDerWaalsContact O-N 3.08Å; P510-K512 VanDerWaalsContact C-N 3.26Å; P510-K512 PolarHBondContact O-N 3.32Å; K512-D514 VanDerWaalsContact C-N 3.26Å; K512-D514 PolarHBondContact O-N 2.7Å; K512-I515 WeakPolarHBondContact O-CB 3.41Å; K512-I515 VanDerWaalsContact O-CG2 3.28Å; K512-I515 WeakPolarHBondContact O-CG2 3.42Å; K512-I515 PolarHBondContact O-N 3.25Å
513	V	91.4	Very high	90.7	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.042	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-35.2	-178.7	178.3	0	0	0	0	112.2	L490 V506 P510 I515 L538 A541	L490-V513 WeakPolarHBondContact CD2-O 3.45Å; V506-V513 HydrophobicContact CG1-CG2 4.07Å; V506-V513 HydrophobicContact CG2-CG2 4.42Å; P510-V513 WeakPolarHBondContact O-CG2 3.46Å; V513-I515 VanDerWaalsContact C-N 3.32Å; V513-I515 PolarHBondContact O-N 2.85Å; V513-L538 HydrophobicContact CG1-CD2 4.22Å; V513-A541 HydrophobicContact CG2-CB 4.2Å
514	D	92.8	Very high	90.7	Very high	53 Å²	53	54.7 Å²	54.7	28%	0.283	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	23.3	179.6	-61.5	-32.9	0	0	0	113.3	K512 K516 S543 S544 V547	K512-D514 VanDerWaalsContact C-N 3.26Å; K512-D514 PolarHBondContact O-N 2.7Å; D514-K516 PolarHBondContact O-N 2.94Å; D514-S543 VanDerWaalsContact OD1-CA 3.28Å; D514-S543 WeakPolarHBondContact OD1-CA 3.33Å; D514-S543 WeakPolarHBondContact OD1-CB 3.48Å; D514-S543 PolarHBondContact OD1-OG 3.17Å; D514-S544 PolarHBondContact OD1-N 3.24Å; D514-S544 VanDerWaalsContact OD2-CB 3.24Å; D514-S544 WeakPolarHBondContact OD2-CB 3.4Å; D514-S544 PolarHBondContact OD2-N 3.05Å; D514-V547 HydrophobicContact CB-CG2 4.34Å
515	I	91.6	Very high	90.7	Very high	50 Å²	50	48.8 Å²	48.8	26%	0.256	25%	0.245	S	C	.	.			trans	-61.5	138.2	175.7	-166.8	169.1	0	0	0	111	P487 L490 K512 V513	P487-I515 HydrophobicContact CB-CD1 3.77Å; P487-I515 WeakPolarHBondContact O-CG2 3.49Å; L490-I515 HydrophobicContact CB-CG2 4.48Å; L490-I515 HydrophobicContact CD2-CG2 4.43Å; K512-I515 WeakPolarHBondContact O-CB 3.41Å; K512-I515 VanDerWaalsContact O-CG2 3.28Å; K512-I515 WeakPolarHBondContact O-CG2 3.42Å; K512-I515 PolarHBondContact O-N 3.25Å; V513-I515 VanDerWaalsContact C-N 3.32Å; V513-I515 PolarHBondContact O-N 2.85Å
516	K	90.4	Very high	90.8	Very high	81 Å²	81	48.1 Å²	48.1	35%	0.352	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.6	176	-68.7	177.4	170.2	-172.8	0	111.3	D514 G519 K520 T521 K548 E550	D514-K516 PolarHBondContact O-N 2.94Å; K516-G519 WeakPolarHBondContact CD-O 3.49Å; K516-K520 CarbonylContact C-O 3.52Å; K516-K520 VanDerWaalsContact CA-O 3.24Å; K516-K520 WeakPolarHBondContact CA-O 3.49Å; K516-T521 HydrophobicContact CG-CG2 3.95Å; K516-K548 VanDerWaalsContact CE-O 3.31Å; K516-K548 WeakPolarHBondContact CE-O 3.31Å; K516-K548 PolarHBondContact NZ-O 3.38Å; K516-E550 IonicContact NZ-OE1 2.96Å
517	N	85.8	Confident	90.9	Very high	33 Å²	33	47.5 Å²	47.5	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.1	165.4	-173.2	-10.5	0	0	0	107.7	L477 G488 V491 G519 K520	L477-N517 HydrophobicContact CD2-CB 4.35Å; G488-N517 PolarHBondContact O-ND2 2.9Å; V491-N517 HydrophobicContact CB-CB 3.77Å; V491-N517 HydrophobicContact CG1-CB 4.09Å; V491-N517 HydrophobicContact CG2-CB 3.73Å; N517-G519 PolarHBondContact O-N 3Å; N517-K520 PolarHBondContact N-O 3.22Å; N517-K520 PolarHBondContact O-N 3.03Å
518	Q	83.1	Confident	91	Very high	69 Å²	69	41.7 Å²	41.7	32%	0.322	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	40.3	-169	-54.7	-174.3	28.4	0	0	112.8	V473 L477 K520	V473-Q518 HydrophobicContact CG1-CB 3.98Å; L477-Q518 HydrophobicContact CD2-CG 4.31Å; Q518-K520 VanDerWaalsContact C-N 3.29Å; Q518-K520 PolarHBondContact O-N 3.34Å
519	G	86.6	Confident	90.8	Very high	23 Å²	23	39.5 Å²	39.5	24%	0.237	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-4.8	179.8	0	0	0	0	0	115.8	K516 N517 D549	K516-G519 WeakPolarHBondContact CD-O 3.49Å; N517-G519 PolarHBondContact O-N 3Å; G519-D549 WeakPolarHBondContact O-CB 3.29Å
520	K	89.8	Confident	90.8	Very high	12 Å²	12	37.7 Å²	37.7	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.3	-170.8	-56.6	179	-173.2	-170.3	0	112.7	V473 K516 N517 Q518 V525 Y558	V473-K520 HydrophobicContact CG1-CD 3.74Å; K516-K520 CarbonylContact C-O 3.52Å; K516-K520 VanDerWaalsContact CA-O 3.24Å; K516-K520 WeakPolarHBondContact CA-O 3.49Å; N517-K520 PolarHBondContact N-O 3.22Å; N517-K520 PolarHBondContact O-N 3.03Å; Q518-K520 VanDerWaalsContact C-N 3.29Å; Q518-K520 PolarHBondContact O-N 3.34Å; K520-V525 HydrophobicContact CB-CG2 3.98Å; K520-V525 HydrophobicContact CD-CG2 4.4Å; K520-Y558 HydrophobicContact CD-CE1 4.07Å; K520-Y558 WeakPolarHBondContact CD-OH 3.34Å; K520-Y558 WeakPolarHBondContact CE-OH 3.45Å
521	T	94.2	Very high	91.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	160.6	174.1	63.8	0	0	0	0	111.6	K516 L523 Q524 V525 V547	K516-T521 HydrophobicContact CG-CG2 3.95Å; T521-L523 PolarHBondContact O-N 3.37Å; T521-Q524 PolarHBondContact O-N 3.11Å; T521-Q524 WeakPolarHBondContact OG1-CG 3.46Å; T521-Q524 PolarHBondContact OG1-N 2.96Å; T521-Q524 PolarHBondContact OG1-OE1 3.32Å; T521-V525 PolarHBondContact O-N 2.96Å; T521-V547 HydrophobicContact CG2-CB 4.2Å; T521-V547 HydrophobicContact CG2-CG1 3.72Å
522	A	94.1	Very high	91.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-34.6	173.6	0	0	0	0	0	112.2	L490 V491 A494 A526 L538	L490-A522 HydrophobicContact CD2-CB 4.24Å; L490-A522 HydrophobicContact CG-CB 3.83Å; V491-A522 HydrophobicContact CG2-CB 4.31Å; A494-A522 HydrophobicContact CB-CB 3.8Å; A522-A526 VanDerWaalsContact O-CB 3.26Å; A522-A526 WeakPolarHBondContact O-CB 3.17Å; A522-A526 PolarHBondContact O-N 3.5Å; A522-L538 HydrophobicContact CB-CD1 3.86Å; A522-L538 HydrophobicContact CB-CD2 4.06Å
523	L	96.4	Very high	91.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-45.6	179.3	-174.1	63.8	0	0	0	111.9	T521 A527 V535 L538 L539 V545 A555 L571	T521-L523 PolarHBondContact O-N 3.37Å; L523-A527 WeakPolarHBondContact O-CB 3.21Å; L523-A527 PolarHBondContact O-N 3.19Å; L523-V535 HydrophobicContact CD1-CB 4.41Å; L523-V535 HydrophobicContact CD1-CG1 3.85Å; L523-V535 HydrophobicContact CD1-CG2 4.33Å; L523-L538 HydrophobicContact CB-CD1 4.29Å; L523-L538 HydrophobicContact CD1-CB 4.31Å; L523-L538 HydrophobicContact CD1-CD1 4.36Å; L523-L539 HydrophobicContact CD1-CD2 4.22Å; L523-L539 HydrophobicContact CD1-CG 4.24Å; L523-L539 HydrophobicContact CD2-CD2 4.1Å; L523-V545 HydrophobicContact CD2-CG1 4.3Å; L523-A555 HydrophobicContact CD2-CB 3.98Å; L523-A555 HydrophobicContact CG-CB 3.88Å; L523-L571 HydrophobicContact CD1-CD2 4.3Å; L523-L571 HydrophobicContact CD2-CD2 4.28Å
524	Q	94.4	Very high	91.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.8	-46.8	176.5	-76.3	160.4	-40.1	0	0	111.7	T521 A527 H528 V547 D553 A555 Y558	T521-Q524 PolarHBondContact O-N 3.11Å; T521-Q524 WeakPolarHBondContact OG1-CG 3.46Å; T521-Q524 PolarHBondContact OG1-N 2.96Å; T521-Q524 PolarHBondContact OG1-OE1 3.32Å; Q524-A527 PolarHBondContact O-N 2.84Å; Q524-H528 PolarHBondContact O-N 3.13Å; Q524-V547 PolarHBondContact NE2-O 2.97Å; Q524-D553 PolarHBondContact NE2-O 2.8Å; Q524-A555 HydrophobicContact CG-CB 4.27Å; Q524-Y558 HydrophobicContact CB-CD1 4.02Å; Q524-Y558 HydrophobicContact CB-CD2 3.9Å; Q524-Y558 HydrophobicContact CB-CE1 4.25Å; Q524-Y558 HydrophobicContact CB-CE2 4.11Å; Q524-Y558 HydrophobicContact CB-CG 3.86Å; Q524-Y558 HydrophobicContact CG-CD2 3.86Å; Q524-Y558 HydrophobicContact CG-CE2 4.06Å; Q524-Y558 HydrophobicContact CG-CG 4.29Å; Q524-Y558 WeakPolarHBondContact O-CB 3.49Å; Q524-Y558 WeakPolarHBondContact O-CD1 3.37Å
525	V	91.3	Very high	92	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-66.3	-45.7	-179.3	172.6	0	0	0	0	111.5	L474 L477 V491 A495 K520 T521 A527 H528 Q529	L474-V525 HydrophobicContact CD2-CG1 3.77Å; L477-V525 HydrophobicContact CD1-CG2 4.21Å; V491-V525 HydrophobicContact CG1-CB 4.41Å; V491-V525 HydrophobicContact CG1-CG2 3.85Å; A495-V525 HydrophobicContact CB-CG1 3.53Å; K520-V525 HydrophobicContact CB-CG2 3.98Å; K520-V525 HydrophobicContact CD-CG2 4.4Å; T521-V525 PolarHBondContact O-N 2.96Å; V525-A527 VanDerWaalsContact C-N 3.28Å; V525-A527 PolarHBondContact O-N 3.35Å; V525-H528 PolarHBondContact O-N 3.42Å; V525-Q529 WeakPolarHBondContact O-CG 3.32Å; V525-Q529 PolarHBondContact O-N 2.85Å; V525-Q529 VanDerWaalsContact O-N 3.1Å
526	A	93.8	Very high	92.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-35.9	175.9	0	0	0	0	0	112.3	A494 A522 Q529 G530 H531 V534 V535 L538	A494-A526 HydrophobicContact CB-CB 4.38Å; A522-A526 VanDerWaalsContact O-CB 3.26Å; A522-A526 WeakPolarHBondContact O-CB 3.17Å; A522-A526 PolarHBondContact O-N 3.5Å; A526-Q529 PolarHBondContact O-N 3.05Å; A526-G530 PolarHBondContact O-N 2.93Å; A526-G530 VanDerWaalsContact O-N 3.14Å; A526-H531 HydrophobicContact CB-CB 4.33Å; A526-H531 PolarHBondContact O-N 2.75Å; A526-H531 VanDerWaalsContact O-N 3.09Å; A526-V534 HydrophobicContact CB-CB 4.18Å; A526-V534 HydrophobicContact CB-CG1 3.63Å; A526-V535 HydrophobicContact CB-CG2 3.75Å; A526-L538 HydrophobicContact CB-CD1 4.44Å
527	A	94.2	Very high	92.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.5	-33.8	178.2	0	0	0	0	0	113.3	L523 Q524 V525 T559 Q564 I567 L571	L523-A527 WeakPolarHBondContact O-CB 3.21Å; L523-A527 PolarHBondContact O-N 3.19Å; Q524-A527 PolarHBondContact O-N 2.84Å; V525-A527 VanDerWaalsContact C-N 3.28Å; V525-A527 PolarHBondContact O-N 3.35Å; A527-T559 HydrophobicContact CB-CG2 3.88Å; A527-Q564 WeakPolarHBondContact O-CB 3.21Å; A527-Q564 WeakPolarHBondContact O-CG 3.48Å; A527-I567 HydrophobicContact CB-CG2 3.95Å; A527-L571 HydrophobicContact CB-CD1 4.48Å
528	H	93.4	Very high	92.9	Very high	25 Å²	25	23.7 Å²	23.7	12%	0.116	12%	0.124	C	C	.	.	H	α-helix	trans	-71.9	-43.3	172.2	175.6	-76.2	0	0	0	112.4	L474 Q524 V525 G530 Y558 G562 Q564	L474-H528 WeakPolarHBondContact CD1-CE1 3.34Å; L474-H528 WeakPolarHBondContact CD1-ND1 3.37Å; Q524-H528 PolarHBondContact O-N 3.13Å; V525-H528 PolarHBondContact O-N 3.42Å; H528-G530 VanDerWaalsContact C-N 3.29Å; H528-G530 PolarHBondContact O-N 3.27Å; H528-Y558 WeakPolarHBondContact CA-O 3.45Å; H528-Y558 HydrophobicContact CB-CD1 3.89Å; H528-G562 WeakPolarHBondContact O-CA 3.34Å; H528-Q564 WeakPolarHBondContact O-CG 3.41Å
529	Q	86.5	Confident	93.5	Very high	63 Å²	63	21.4 Å²	21.4	29%	0.294	11%	0.114	S	C	.	.	H	α-helix	trans	-77.8	-9.9	-174.9	-63.2	-64.9	74.3	0	0	114.3	L474 V525 A526 H531	L474-Q529 HydrophobicContact CD2-CG 4.07Å; V525-Q529 WeakPolarHBondContact O-CG 3.32Å; V525-Q529 PolarHBondContact O-N 2.85Å; V525-Q529 VanDerWaalsContact O-N 3.1Å; A526-Q529 PolarHBondContact O-N 3.05Å; Q529-H531 VanDerWaalsContact CB-CD2 3.44Å; Q529-H531 WeakPolarHBondContact CB-CD2 3.2Å; Q529-H531 WeakPolarHBondContact CB-NE2 3.45Å
530	G	91	Very high	93.8	Very high	19 Å²	19	26.8 Å²	26.8	20%	0.196	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	14	179.3	0	0	0	0	0	114.8	A526 H528 T532 I567	A526-G530 PolarHBondContact O-N 2.93Å; A526-G530 VanDerWaalsContact O-N 3.14Å; H528-G530 VanDerWaalsContact C-N 3.29Å; H528-G530 PolarHBondContact O-N 3.27Å; G530-T532 VanDerWaalsContact C-N 3.29Å; G530-T532 PolarHBondContact O-N 2.92Å; G530-T532 PolarHBondContact O-OG1 3.07Å; G530-I567 VanDerWaalsContact C-CD1 3.48Å; G530-I567 VanDerWaalsContact CA-CD1 3.46Å
531	H	93.9	Very high	93.9	Very high	53 Å²	53	27.7 Å²	27.7	25%	0.245	14%	0.142	C	C	.	.			trans	-78.5	74.3	-175.1	-64.3	-42.8	0	0	0	112.2	A494 A495 G497 A526 Q529 E533 V534 V535	A494-H531 PolarHBondContact O-CD2 3.01Å; A495-H531 PolarHBondContact O-NE2 3.23Å; G497-H531 VanDerWaalsContact CA-CD2 3.48Å; G497-H531 WeakPolarHBondContact CA-CD2 3.21Å; G497-H531 PolarHBondContact N-NE2 2.92Å; A526-H531 HydrophobicContact CB-CB 4.33Å; A526-H531 PolarHBondContact O-N 2.75Å; A526-H531 VanDerWaalsContact O-N 3.09Å; Q529-H531 VanDerWaalsContact CB-CD2 3.44Å; Q529-H531 WeakPolarHBondContact CB-CD2 3.2Å; Q529-H531 WeakPolarHBondContact CB-NE2 3.45Å; H531-E533 VanDerWaalsContact C-N 3.34Å; H531-E533 PolarHBondContact O-N 3.33Å; H531-V534 HydrophobicContact CB-CB 3.9Å; H531-V534 HydrophobicContact CB-CG2 3.99Å; H531-V534 WeakPolarHBondContact O-CB 3.38Å; H531-V534 PolarHBondContact O-N 3.04Å; H531-V534 VanDerWaalsContact O-N 3.08Å; H531-V535 PolarHBondContact O-N 2.69Å
532	T	94.6	Very high	93.7	Very high	39 Å²	39	34.5 Å²	34.5	24%	0.239	18%	0.179	C	C	.	.	H	α-helix	trans	-56.4	-41.9	-171.7	-59.7	0	0	0	0	113.3	G530 V535 K536	G530-T532 VanDerWaalsContact C-N 3.29Å; G530-T532 PolarHBondContact O-N 2.92Å; G530-T532 PolarHBondContact O-OG1 3.07Å; T532-V535 PolarHBondContact O-N 3.05Å; T532-K536 HydrophobicContact CG2-CD 4.45Å; T532-K536 WeakPolarHBondContact O-CG 3.49Å; T532-K536 PolarHBondContact O-N 2.78Å
533	E	94.6	Very high	93.6	Very high	103 Å²	103	35 Å²	35	48%	0.481	18%	0.182	S	C	.	.	H	α-helix	trans	-70.9	-32.1	179.6	-65.9	-53.1	124.8	0	0	113	A499 H531 K536 T537	A499-E533 HydrophobicContact CB-CB 4.23Å; H531-E533 VanDerWaalsContact C-N 3.34Å; H531-E533 PolarHBondContact O-N 3.33Å; E533-K536 IonicContact OE1-NZ 2.9Å; E533-K536 PolarHBondContact OE1-NZ 3.37Å; E533-T537 WeakPolarHBondContact O-CB 3.26Å; E533-T537 PolarHBondContact O-N 2.89Å; E533-T537 PolarHBondContact O-OG1 2.76Å
534	V	96.1	Very high	93.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-48	171.6	172.3	0	0	0	0	109.7	A494 A499 V502 A526 H531 K536 T537 L538	A494-V534 HydrophobicContact CB-CG1 3.87Å; A499-V534 HydrophobicContact CB-CG2 4.14Å; V502-V534 HydrophobicContact CG1-CG1 4.25Å; V502-V534 HydrophobicContact CG2-CG1 4.09Å; V502-V534 HydrophobicContact CG2-CG2 4.43Å; A526-V534 HydrophobicContact CB-CB 4.18Å; A526-V534 HydrophobicContact CB-CG1 3.63Å; H531-V534 HydrophobicContact CB-CB 3.9Å; H531-V534 HydrophobicContact CB-CG2 3.99Å; H531-V534 WeakPolarHBondContact O-CB 3.38Å; H531-V534 PolarHBondContact O-N 3.04Å; H531-V534 VanDerWaalsContact O-N 3.08Å; V534-K536 VanDerWaalsContact C-N 3.35Å; V534-K536 PolarHBondContact O-N 3.41Å; V534-T537 WeakPolarHBondContact O-CB 3.24Å; V534-T537 PolarHBondContact O-N 3.47Å; V534-T537 VanDerWaalsContact O-N 3.1Å; V534-L538 HydrophobicContact CG1-CD1 3.84Å; V534-L538 HydrophobicContact CG1-CG 4.31Å; V534-L538 WeakPolarHBondContact O-CG 3.36Å; V534-L538 PolarHBondContact O-N 2.85Å
535	V	97	Very high	93.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.3	-47.2	176.9	172.4	0	0	0	0	111.1	L523 A526 H531 T532 T537 L538 L539 I567 L570 L571	L523-V535 HydrophobicContact CD1-CB 4.41Å; L523-V535 HydrophobicContact CD1-CG1 3.85Å; L523-V535 HydrophobicContact CD1-CG2 4.33Å; A526-V535 HydrophobicContact CB-CG2 3.75Å; H531-V535 PolarHBondContact O-N 2.69Å; T532-V535 PolarHBondContact O-N 3.05Å; V535-T537 VanDerWaalsContact C-N 3.3Å; V535-T537 PolarHBondContact O-N 3.34Å; V535-L538 PolarHBondContact O-N 3.13Å; V535-L539 HydrophobicContact CG1-CD1 3.6Å; V535-L539 HydrophobicContact CG1-CG 4.21Å; V535-L539 WeakPolarHBondContact O-CB 3.41Å; V535-L539 VanDerWaalsContact O-CG 3.23Å; V535-L539 WeakPolarHBondContact O-CG 3.47Å; V535-L539 PolarHBondContact O-N 2.9Å; V535-I567 HydrophobicContact CG1-CG2 4.12Å; V535-I567 HydrophobicContact CG2-CD1 4.07Å; V535-I567 HydrophobicContact CG2-CG2 4.07Å; V535-L570 HydrophobicContact CB-CD2 4.48Å; V535-L570 HydrophobicContact CG1-CD2 3.75Å; V535-L571 HydrophobicContact CG1-CD2 4.48Å
536	K	95.9	Very high	93.6	Very high	78 Å²	78	41.5 Å²	41.5	34%	0.339	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-42.7	175.6	-73.6	173.4	-174	165.4	0	112.2	T532 E533 V534 L539 Q540 L570	T532-K536 HydrophobicContact CG2-CD 4.45Å; T532-K536 WeakPolarHBondContact O-CG 3.49Å; T532-K536 PolarHBondContact O-N 2.78Å; E533-K536 IonicContact OE1-NZ 2.9Å; E533-K536 PolarHBondContact OE1-NZ 3.37Å; V534-K536 VanDerWaalsContact C-N 3.35Å; V534-K536 PolarHBondContact O-N 3.41Å; K536-L539 PolarHBondContact O-N 3.33Å; K536-Q540 WeakPolarHBondContact O-CB 3.39Å; K536-Q540 WeakPolarHBondContact O-CG 3.47Å; K536-Q540 PolarHBondContact O-N 2.75Å; K536-L570 HydrophobicContact CG-CD2 3.76Å
537	T	95.7	Very high	93.6	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-43.6	179.9	-57.5	0	0	0	0	111.4	V502 R503 E533 V534 V535 Q540 A541	V502-T537 HydrophobicContact CG1-CG2 4.19Å; R503-T537 HydrophobicContact CB-CG2 3.97Å; R503-T537 HydrophobicContact CG-CG2 4.37Å; E533-T537 WeakPolarHBondContact O-CB 3.26Å; E533-T537 PolarHBondContact O-N 2.89Å; E533-T537 PolarHBondContact O-OG1 2.76Å; V534-T537 WeakPolarHBondContact O-CB 3.24Å; V534-T537 PolarHBondContact O-N 3.47Å; V534-T537 VanDerWaalsContact O-N 3.1Å; V535-T537 VanDerWaalsContact C-N 3.3Å; V535-T537 PolarHBondContact O-N 3.34Å; T537-Q540 PolarHBondContact O-N 2.9Å; T537-A541 PolarHBondContact O-N 2.9Å
538	L	95.4	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-43.7	177.2	-68.6	169.9	0	0	0	111.8	L490 V502 V506 V513 A522 L523 A526 V534 V535 Q540 A541 S543	L490-L538 HydrophobicContact CD1-CD2 4.22Å; L490-L538 HydrophobicContact CD2-CD2 4.36Å; L490-L538 HydrophobicContact CG-CD2 4.49Å; V502-L538 HydrophobicContact CG1-CD2 3.88Å; V502-L538 HydrophobicContact CG1-CG 4.13Å; V506-L538 HydrophobicContact CG2-CD2 4.11Å; V513-L538 HydrophobicContact CG1-CD2 4.22Å; A522-L538 HydrophobicContact CB-CD1 3.86Å; A522-L538 HydrophobicContact CB-CD2 4.06Å; L523-L538 HydrophobicContact CB-CD1 4.29Å; L523-L538 HydrophobicContact CD1-CB 4.31Å; L523-L538 HydrophobicContact CD1-CD1 4.36Å; A526-L538 HydrophobicContact CB-CD1 4.44Å; V534-L538 HydrophobicContact CG1-CD1 3.84Å; V534-L538 HydrophobicContact CG1-CG 4.31Å; V534-L538 WeakPolarHBondContact O-CG 3.36Å; V534-L538 PolarHBondContact O-N 2.85Å; V535-L538 PolarHBondContact O-N 3.13Å; L538-Q540 VanDerWaalsContact C-N 3.35Å; L538-Q540 PolarHBondContact O-N 3.47Å; L538-A541 CarbonylContact O-C 3.52Å; L538-A541 PolarHBondContact O-N 2.82Å; L538-A541 VanDerWaalsContact O-N 3.11Å; L538-S543 WeakPolarHBondContact O-CB 3.38Å; L538-S543 PolarHBondContact O-N 2.82Å; L538-S543 VanDerWaalsContact O-N 3.1Å
539	L	94.4	Very high	93.4	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.115	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-33.6	177.5	-66.1	170.3	0	0	0	112.6	L523 V535 K536 A541 N542 V545 L570 L571 K574	L523-L539 HydrophobicContact CD1-CD2 4.22Å; L523-L539 HydrophobicContact CD1-CG 4.24Å; L523-L539 HydrophobicContact CD2-CD2 4.1Å; V535-L539 HydrophobicContact CG1-CD1 3.6Å; V535-L539 HydrophobicContact CG1-CG 4.21Å; V535-L539 WeakPolarHBondContact O-CB 3.41Å; V535-L539 VanDerWaalsContact O-CG 3.23Å; V535-L539 WeakPolarHBondContact O-CG 3.47Å; V535-L539 PolarHBondContact O-N 2.9Å; K536-L539 PolarHBondContact O-N 3.33Å; L539-A541 PolarHBondContact O-N 3.44Å; L539-N542 PolarHBondContact O-N 2.85Å; L539-V545 HydrophobicContact CD2-CG1 3.53Å; L539-L570 HydrophobicContact CD1-CD2 4.03Å; L539-L570 HydrophobicContact CD1-CG 3.94Å; L539-L571 HydrophobicContact CD1-CD2 4.21Å; L539-L571 HydrophobicContact CD2-CD2 4.24Å; L539-K574 HydrophobicContact CD1-CG 4.21Å
540	Q	93.6	Very high	93.5	Very high	136 Å²	136	50.5 Å²	50.5	64%	0.636	26%	0.263	S	S	*	.	H	α-helix	trans	-65.6	-23.1	172.6	-78.6	171.8	3.9	0	0	112.8	K536 T537 L538 N542	K536-Q540 WeakPolarHBondContact O-CB 3.39Å; K536-Q540 WeakPolarHBondContact O-CG 3.47Å; K536-Q540 PolarHBondContact O-N 2.75Å; T537-Q540 PolarHBondContact O-N 2.9Å; L538-Q540 VanDerWaalsContact C-N 3.35Å; L538-Q540 PolarHBondContact O-N 3.47Å; Q540-N542 VanDerWaalsContact C-N 3.33Å
541	A	91.7	Very high	93.3	Very high	30 Å²	30	53.6 Å²	53.6	25%	0.248	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	24.5	176.4	0	0	0	0	0	113.4	V506 V513 T537 L538 L539 S543	V506-A541 HydrophobicContact CB-CB 4.46Å; V506-A541 HydrophobicContact CG1-CB 3.09Å; V513-A541 HydrophobicContact CG2-CB 4.2Å; T537-A541 PolarHBondContact O-N 2.9Å; L538-A541 CarbonylContact O-C 3.52Å; L538-A541 PolarHBondContact O-N 2.82Å; L538-A541 VanDerWaalsContact O-N 3.11Å; L539-A541 PolarHBondContact O-N 3.44Å; A541-S543 VanDerWaalsContact C-N 3.3Å; A541-S543 PolarHBondContact O-N 3.44Å
542	N	90	Very high	93.1	Very high	146 Å²	146	51.2 Å²	51.2	78%	0.781	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	31.2	177.1	-59.8	-7.1	0	0	0	114.6	L539 Q540 S544	L539-N542 PolarHBondContact O-N 2.85Å; Q540-N542 VanDerWaalsContact C-N 3.33Å; N542-S544 PolarHBondContact O-N 3.49Å
543	S	92.6	Very high	93.1	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	26%	0.255	C	S	.	.			trans	-58.1	133.9	167.6	-173	0	0	0	0	110.7	D514 L538 A541	D514-S543 VanDerWaalsContact OD1-CA 3.28Å; D514-S543 WeakPolarHBondContact OD1-CA 3.33Å; D514-S543 WeakPolarHBondContact OD1-CB 3.48Å; D514-S543 PolarHBondContact OD1-OG 3.17Å; L538-S543 WeakPolarHBondContact O-CB 3.38Å; L538-S543 PolarHBondContact O-N 2.82Å; L538-S543 VanDerWaalsContact O-N 3.1Å; A541-S543 VanDerWaalsContact C-N 3.3Å; A541-S543 PolarHBondContact O-N 3.44Å
544	S	93.4	Very high	93.1	Very high	51 Å²	51	45 Å²	45	36%	0.357	23%	0.233	S	C	.	.			trans	-76.4	126.5	179.3	174.9	0	0	0	0	111.7	D514 N542 E546	D514-S544 PolarHBondContact OD1-N 3.24Å; D514-S544 VanDerWaalsContact OD2-CB 3.24Å; D514-S544 WeakPolarHBondContact OD2-CB 3.4Å; D514-S544 PolarHBondContact OD2-N 3.05Å; N542-S544 PolarHBondContact O-N 3.49Å; S544-E546 VanDerWaalsContact C-N 3.29Å; S544-E546 PolarHBondContact O-N 3.17Å
545	V	94.4	Very high	93.1	Very high	19 Å²	19	45 Å²	45	12%	0.115	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-14.8	179.2	-62.4	0	0	0	0	113.7	L523 L539 L571 A576	L523-V545 HydrophobicContact CD2-CG1 4.3Å; L539-V545 HydrophobicContact CD2-CG1 3.53Å; V545-L571 HydrophobicContact CG1-CD2 4.01Å; V545-A576 HydrophobicContact CB-CB 4.26Å; V545-A576 HydrophobicContact CG2-CB 4.15Å
546	E	93.2	Very high	93.1	Very high	70 Å²	70	45.1 Å²	45.1	33%	0.327	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.4	-172.2	-62.8	-57	144.3	0	0	113.7	S544 K548 A576 N577	S544-E546 VanDerWaalsContact C-N 3.29Å; S544-E546 PolarHBondContact O-N 3.17Å; E546-K548 PolarHBondContact O-N 3.32Å; E546-A576 VanDerWaalsContact OE1-CA 3.27Å; E546-A576 WeakPolarHBondContact OE1-CA 3.27Å; E546-N577 PolarHBondContact OE1-N 3.25Å
547	V	93.9	Very high	93.1	Very high	34 Å²	34	41.4 Å²	41.4	21%	0.206	22%	0.218	C	C	.	.			trans	-65.7	126.3	177.8	-176.9	0	0	0	0	109.5	D514 T521 Q524	D514-V547 HydrophobicContact CB-CG2 4.34Å; T521-V547 HydrophobicContact CG2-CB 4.2Å; T521-V547 HydrophobicContact CG2-CG1 3.72Å; Q524-V547 PolarHBondContact NE2-O 2.97Å
548	K	93.5	Very high	93	Very high	88 Å²	88	41.2 Å²	41.2	38%	0.383	22%	0.216	S	C	.	.			trans	-95.2	144	174.5	-64.3	-173.2	176.5	-158.7	0	110.9	K516 E546 G552 D553 T554 L581	K516-K548 VanDerWaalsContact CE-O 3.31Å; K516-K548 WeakPolarHBondContact CE-O 3.31Å; K516-K548 PolarHBondContact NZ-O 3.38Å; E546-K548 PolarHBondContact O-N 3.32Å; K548-G552 WeakPolarHBondContact CD-O 3.42Å; K548-D553 WeakPolarHBondContact CA-O 3.43Å; K548-T554 HydrophobicContact CG-CG2 3.77Å; K548-L581 PolarHBondContact NZ-O 2.98Å
549	D	89.1	Confident	93	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.07	22%	0.216	C	C	.	.			trans	-82.1	-168.6	164.5	66.9	8.8	0	0	0	111.5	G519 D551 G552 D553 Y558	G519-D549 WeakPolarHBondContact O-CB 3.29Å; D549-D551 VanDerWaalsContact C-N 3.26Å; D549-D551 PolarHBondContact O-N 3.01Å; D549-D551 PolarHBondContact OD1-N 3Å; D549-D551 VanDerWaalsContact OD1-N 3.08Å; D549-G552 PolarHBondContact O-N 2.67Å; D549-G552 PolarHBondContact OD1-N 3.34Å; D549-G552 VanDerWaalsContact OD1-N 3.16Å; D549-D553 PolarHBondContact N-O 3.29Å; D549-D553 VanDerWaalsContact N-O 3.1Å; D549-D553 WeakPolarHBondContact OD1-CB 3.39Å; D549-D553 PolarHBondContact OD1-N 3.03Å; D549-Y558 VanDerWaalsContact OD2-CE2 3.26Å; D549-Y558 WeakPolarHBondContact OD2-CE2 3.24Å; D549-Y558 PolarHBondContact OD2-OH 3.05Å
550	E	89.6	Confident	92.8	Very high	141 Å²	141	40.1 Å²	40.1	66%	0.659	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.3	-178.5	-54.8	-55.7	128.2	0	0	112.9	K516 G552 N583	K516-E550 IonicContact NZ-OE1 2.96Å; E550-G552 VanDerWaalsContact C-N 3.26Å; E550-N583 PolarHBondContact O-ND2 2.87Å
551	D	86.4	Confident	92.6	Very high	85 Å²	85	36.3 Å²	36.3	46%	0.455	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.3	176.6	-62.6	-48.2	0	0	0	112	D549 D553 N583	D549-D551 VanDerWaalsContact C-N 3.26Å; D549-D551 PolarHBondContact O-N 3.01Å; D549-D551 PolarHBondContact OD1-N 3Å; D549-D551 VanDerWaalsContact OD1-N 3.08Å; D551-D553 VanDerWaalsContact C-N 3.33Å; D551-N583 VanDerWaalsContact C-CG 3.48Å; D551-N583 VanDerWaalsContact C-ND2 3.3Å; D551-N583 VanDerWaalsContact O-CB 3.31Å; D551-N583 WeakPolarHBondContact O-CB 3.16Å; D551-N583 PolarHBondContact O-N 3.28Å; D551-N583 PolarHBondContact O-ND2 3.18Å
552	G	90.8	Very high	92.1	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	19%	0.188	C	C	.	.			trans	83.5	8.4	-178.7	0	0	0	0	0	113.6	K548 D549 E550	K548-G552 WeakPolarHBondContact CD-O 3.42Å; D549-G552 PolarHBondContact O-N 2.67Å; D549-G552 PolarHBondContact OD1-N 3.34Å; D549-G552 VanDerWaalsContact OD1-N 3.16Å; E550-G552 VanDerWaalsContact C-N 3.26Å
553	D	93.1	Very high	92.3	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.043	17%	0.168	C	C	.	.			trans	-82.7	131.4	-175.5	-74.4	-39.7	0	0	0	111.4	Q524 K548 D549 D551 H557 Y558 F561 N582	Q524-D553 PolarHBondContact NE2-O 2.8Å; K548-D553 WeakPolarHBondContact CA-O 3.43Å; D549-D553 PolarHBondContact N-O 3.29Å; D549-D553 VanDerWaalsContact N-O 3.1Å; D549-D553 WeakPolarHBondContact OD1-CB 3.39Å; D549-D553 PolarHBondContact OD1-N 3.03Å; D551-D553 VanDerWaalsContact C-N 3.33Å; D553-H557 HydrophobicContact CB-CB 3.84Å; D553-H557 IonicContact OD1-CD2 3.88Å; D553-H557 PolarHBondContact OD1-CD2 2.77Å; D553-H557 IonicContact OD1-CG 3.18Å; D553-Y558 HydrophobicContact CB-CD2 4.15Å; D553-Y558 HydrophobicContact CB-CE2 3.73Å; D553-F561 WeakPolarHBondContact OD2-CE2 3.2Å; D553-N582 WeakPolarHBondContact OD1-CB 3.26Å; D553-N582 PolarHBondContact OD1-ND2 2.94Å
554	T	95.4	Very high	92.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	18%	0.177	C	C	.	.			trans	-92.9	172.3	174.2	64.3	0	0	0	0	111.9	K548 L556 H557 Y558 V580	K548-T554 HydrophobicContact CG-CG2 3.77Å; T554-L556 PolarHBondContact O-N 3.23Å; T554-L556 VanDerWaalsContact O-N 3.09Å; T554-L556 PolarHBondContact OG1-N 3.29Å; T554-H557 PolarHBondContact N-ND1 2.8Å; T554-H557 VanDerWaalsContact N-ND1 3.2Å; T554-H557 WeakPolarHBondContact O-CB 3.26Å; T554-H557 PolarHBondContact O-N 2.9Å; T554-H557 PolarHBondContact OG1-ND1 3.28Å; T554-Y558 WeakPolarHBondContact O-CD2 3.32Å; T554-Y558 PolarHBondContact O-N 3.41Å; T554-V580 HydrophobicContact CG2-CG1 3.83Å
555	A	95.9	Very high	92.5	Very high	2 Å²	2	32 Å²	32	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-53.6	-32.1	173.8	0	0	0	0	0	113	L523 Q524 Y558 T559 L571	L523-A555 HydrophobicContact CD2-CB 3.98Å; L523-A555 HydrophobicContact CG-CB 3.88Å; Q524-A555 HydrophobicContact CG-CB 4.27Å; A555-Y558 PolarHBondContact O-N 3.29Å; A555-T559 PolarHBondContact O-N 3.07Å; A555-T559 VanDerWaalsContact O-N 3.15Å; A555-L571 HydrophobicContact CB-CD1 3.84Å; A555-L571 HydrophobicContact CB-CD2 4.48Å
556	L	97.6	Very high	92.6	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-38.9	175.7	-170	64.7	0	0	0	112.3	T554 Y558 T559 A560 A568 L572 A588 L604	T554-L556 PolarHBondContact O-N 3.23Å; T554-L556 VanDerWaalsContact O-N 3.09Å; T554-L556 PolarHBondContact OG1-N 3.29Å; L556-Y558 VanDerWaalsContact C-N 3.3Å; L556-Y558 PolarHBondContact O-N 3.43Å; L556-T559 PolarHBondContact O-N 3.29Å; L556-T559 PolarHBondContact O-OG1 3.39Å; L556-A560 PolarHBondContact O-N 3.4Å; L556-A568 HydrophobicContact CD1-CB 4.13Å; L556-L572 HydrophobicContact CD1-CD1 4.48Å; L556-L572 HydrophobicContact CD1-CD2 4.32Å; L556-L572 HydrophobicContact CD1-CG 4.13Å; L556-L572 HydrophobicContact CD2-CD2 3.95Å; L556-A588 HydrophobicContact CD2-CB 4.23Å; L556-A588 HydrophobicContact CG-CB 3.88Å; L556-L604 HydrophobicContact CD1-CD2 4.16Å; L556-L604 HydrophobicContact CD2-CD2 4.16Å; L556-L604 HydrophobicContact CG-CD2 4.32Å
557	H	95.7	Very high	92.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-40.8	173.3	-65.5	77.6	0	0	0	111	D553 T554 T559 A560 F561 V580 C586 A588 I591	D553-H557 HydrophobicContact CB-CB 3.84Å; D553-H557 IonicContact OD1-CD2 3.88Å; D553-H557 PolarHBondContact OD1-CD2 2.77Å; D553-H557 IonicContact OD1-CG 3.18Å; T554-H557 PolarHBondContact N-ND1 2.8Å; T554-H557 VanDerWaalsContact N-ND1 3.2Å; T554-H557 WeakPolarHBondContact O-CB 3.26Å; T554-H557 PolarHBondContact O-N 2.9Å; T554-H557 PolarHBondContact OG1-ND1 3.28Å; H557-T559 VanDerWaalsContact C-N 3.3Å; H557-T559 PolarHBondContact O-N 3.02Å; H557-A560 CarbonylContact O-C 3.59Å; H557-A560 WeakPolarHBondContact O-CA 3.29Å; H557-A560 WeakPolarHBondContact O-CB 3.45Å; H557-A560 PolarHBondContact O-N 2.88Å; H557-F561 HydrophobicContact CB-CE2 4.5Å; H557-F561 WeakPolarHBondContact O-CD2 3.48Å; H557-F561 PolarHBondContact O-N 2.81Å; H557-V580 PolarHBondContact CE1-O 3.29Å; H557-V580 VanDerWaalsContact CE1-O 3.26Å; H557-V580 PolarHBondContact NE2-O 3.47Å; H557-C586 PolarHBondContact NE2-O 2.73Å; H557-C586 VanDerWaalsContact NE2-O 3.17Å; H557-A588 PolarHBondContact NE2-N 3.15Å; H557-I591 HydrophobicContact CB-CD1 4Å
558	Y	93.9	Very high	92.9	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-31.7	176.6	-83.2	-106.2	0	0	0	113.1	V470 K520 Q524 H528 D549 D553 T554 A555 L556 A560 F561 G562	V470-Y558 HydrophobicContact CG1-CD1 4.32Å; V470-Y558 HydrophobicContact CG1-CE1 3.82Å; V470-Y558 HydrophobicContact CG2-CE1 4.35Å; K520-Y558 HydrophobicContact CD-CE1 4.07Å; K520-Y558 WeakPolarHBondContact CD-OH 3.34Å; K520-Y558 WeakPolarHBondContact CE-OH 3.45Å; Q524-Y558 HydrophobicContact CB-CD1 4.02Å; Q524-Y558 HydrophobicContact CB-CD2 3.9Å; Q524-Y558 HydrophobicContact CB-CE1 4.25Å; Q524-Y558 HydrophobicContact CB-CE2 4.11Å; Q524-Y558 HydrophobicContact CB-CG 3.86Å; Q524-Y558 HydrophobicContact CG-CD2 3.86Å; Q524-Y558 HydrophobicContact CG-CE2 4.06Å; Q524-Y558 HydrophobicContact CG-CG 4.29Å; Q524-Y558 WeakPolarHBondContact O-CB 3.49Å; Q524-Y558 WeakPolarHBondContact O-CD1 3.37Å; H528-Y558 WeakPolarHBondContact CA-O 3.45Å; H528-Y558 HydrophobicContact CB-CD1 3.89Å; D549-Y558 VanDerWaalsContact OD2-CE2 3.26Å; D549-Y558 WeakPolarHBondContact OD2-CE2 3.24Å; D549-Y558 PolarHBondContact OD2-OH 3.05Å; D553-Y558 HydrophobicContact CB-CD2 4.15Å; D553-Y558 HydrophobicContact CB-CE2 3.73Å; T554-Y558 WeakPolarHBondContact O-CD2 3.32Å; T554-Y558 PolarHBondContact O-N 3.41Å; A555-Y558 PolarHBondContact O-N 3.29Å; L556-Y558 VanDerWaalsContact C-N 3.3Å; L556-Y558 PolarHBondContact O-N 3.43Å; Y558-A560 VanDerWaalsContact C-N 3.29Å; Y558-A560 PolarHBondContact O-N 3.05Å; Y558-F561 PolarHBondContact O-N 3.04Å; Y558-G562 PolarHBondContact O-N 3.37Å
559	T	94.9	Very high	93.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-34.2	170.6	69	0	0	0	0	112.5	A527 A555 L556 H557 G562 N563 Q564 I567 A568 L571	A527-T559 HydrophobicContact CB-CG2 3.88Å; A555-T559 PolarHBondContact O-N 3.07Å; A555-T559 VanDerWaalsContact O-N 3.15Å; L556-T559 PolarHBondContact O-N 3.29Å; L556-T559 PolarHBondContact O-OG1 3.39Å; H557-T559 VanDerWaalsContact C-N 3.3Å; H557-T559 PolarHBondContact O-N 3.02Å; T559-G562 PolarHBondContact O-N 2.95Å; T559-N563 PolarHBondContact O-N 3.24Å; T559-N563 VanDerWaalsContact O-N 3.07Å; T559-Q564 PolarHBondContact O-N 3.02Å; T559-I567 HydrophobicContact CG2-CB 3.95Å; T559-I567 HydrophobicContact CG2-CG2 3.62Å; T559-A568 HydrophobicContact CG2-CB 4.38Å; T559-L571 HydrophobicContact CG2-CD1 3.74Å
560	A	90.2	Very high	93.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-74.5	-32.2	175.7	0	0	0	0	0	112.3	L556 H557 Y558 A588 I591 A592 F597 V600	L556-A560 PolarHBondContact O-N 3.4Å; H557-A560 CarbonylContact O-C 3.59Å; H557-A560 WeakPolarHBondContact O-CA 3.29Å; H557-A560 WeakPolarHBondContact O-CB 3.45Å; H557-A560 PolarHBondContact O-N 2.88Å; Y558-A560 VanDerWaalsContact C-N 3.29Å; Y558-A560 PolarHBondContact O-N 3.05Å; A560-A588 HydrophobicContact CB-CB 4.3Å; A560-A588 VanDerWaalsContact CB-O 3.26Å; A560-A588 WeakPolarHBondContact CB-O 3.13Å; A560-I591 HydrophobicContact CB-CB 3.92Å; A560-I591 HydrophobicContact CB-CG2 3.81Å; A560-A592 HydrophobicContact CB-CB 4.09Å; A560-F597 WeakPolarHBondContact O-CD2 3.42Å; A560-F597 WeakPolarHBondContact O-CE2 3.38Å; A560-V600 HydrophobicContact CB-CG1 4.24Å
561	F	89.1	Confident	93.8	Very high	55 Å²	55	25.6 Å²	25.6	24%	0.241	13%	0.129	C	C	.	.	H	α-helix	trans	-68.7	-37.3	170.2	-73.8	-61	0	0	0	112.8	D553 H557 Y558 I591	D553-F561 WeakPolarHBondContact OD2-CE2 3.2Å; H557-F561 HydrophobicContact CB-CE2 4.5Å; H557-F561 WeakPolarHBondContact O-CD2 3.48Å; H557-F561 PolarHBondContact O-N 2.81Å; Y558-F561 PolarHBondContact O-N 3.04Å; F561-I591 HydrophobicContact CD1-CG2 3.6Å; F561-I591 HydrophobicContact CD2-CD1 4.37Å; F561-I591 HydrophobicContact CD2-CG2 4.46Å; F561-I591 HydrophobicContact CE1-CD1 4.22Å; F561-I591 HydrophobicContact CE1-CG1 4.42Å; F561-I591 HydrophobicContact CE1-CG2 3.64Å; F561-I591 HydrophobicContact CE2-CD1 3.69Å; F561-I591 HydrophobicContact CG-CG2 4.03Å; F561-I591 HydrophobicContact CZ-CD1 3.6Å; F561-I591 HydrophobicContact CZ-CG1 4.21Å; F561-I591 HydrophobicContact CZ-CG2 4.11Å
562	G	82.2	Confident	94.3	Very high	16 Å²	16	22.4 Å²	22.4	17%	0.165	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.1	-175.6	0	0	0	0	0	115.9	H528 Y558 T559 Q564	H528-G562 WeakPolarHBondContact O-CA 3.34Å; Y558-G562 PolarHBondContact O-N 3.37Å; T559-G562 PolarHBondContact O-N 2.95Å; G562-Q564 WeakPolarHBondContact O-CG 3.47Å; G562-Q564 PolarHBondContact O-N 3.22Å; G562-Q564 PolarHBondContact O-NE2 3.04Å
563	N	93.7	Very high	94.5	Very high	68 Å²	68	26.1 Å²	26.1	36%	0.364	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	42.7	-171.6	-167.1	24.8	0	0	0	114.2	T559 F597	T559-N563 PolarHBondContact O-N 3.24Å; T559-N563 VanDerWaalsContact O-N 3.07Å; N563-F597 HydrophobicContact CB-CB 4.49Å; N563-F597 HydrophobicContact CB-CD1 3.8Å; N563-F597 HydrophobicContact CB-CD2 3.67Å; N563-F597 HydrophobicContact CB-CE1 3.85Å; N563-F597 HydrophobicContact CB-CE2 3.71Å; N563-F597 HydrophobicContact CB-CG 3.73Å; N563-F597 HydrophobicContact CB-CZ 3.8Å; N563-F597 WeakPolarHBondContact OD1-CB 3.3Å; N563-F597 WeakPolarHBondContact OD1-CG 3.49Å
564	Q	96.1	Very high	94.5	Very high	51 Å²	51	32.1 Å²	32.1	24%	0.238	16%	0.163	C	C	.	.			trans	-104.6	70.1	-171.7	-57.5	-57.3	-29.3	0	0	112.9	A527 H528 T559 G562 E566 I567 A568	A527-Q564 WeakPolarHBondContact O-CB 3.21Å; A527-Q564 WeakPolarHBondContact O-CG 3.48Å; H528-Q564 WeakPolarHBondContact O-CG 3.41Å; T559-Q564 PolarHBondContact O-N 3.02Å; G562-Q564 WeakPolarHBondContact O-CG 3.47Å; G562-Q564 PolarHBondContact O-N 3.22Å; G562-Q564 PolarHBondContact O-NE2 3.04Å; Q564-E566 VanDerWaalsContact C-N 3.3Å; Q564-E566 PolarHBondContact O-N 3.29Å; Q564-I567 HydrophobicContact CB-CB 4.12Å; Q564-I567 HydrophobicContact CB-CD1 4.2Å; Q564-I567 HydrophobicContact CB-CG1 4.34Å; Q564-I567 HydrophobicContact CG-CD1 4.5Å; Q564-I567 PolarHBondContact O-N 2.88Å; Q564-A568 PolarHBondContact O-N 3.07Å
565	A	94.2	Very high	94.3	Very high	12 Å²	12	34.8 Å²	34.8	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-35.5	-176.7	0	0	0	0	0	114	A568 R569 D599 V600 V603	A565-A568 PolarHBondContact O-N 3.13Å; A565-R569 PolarHBondContact O-N 3.11Å; A565-D599 HydrophobicContact CB-CB 3.9Å; A565-V600 HydrophobicContact CB-CG2 4.11Å; A565-V603 HydrophobicContact CB-CG2 4.01Å
566	E	96.1	Very high	94.3	Very high	105 Å²	105	35.1 Å²	35.1	49%	0.491	19%	0.194	S	C	.	.	H	α-helix	trans	-69.5	-38.5	178.7	-172.1	57.9	-158.4	0	0	112.3	Q564 R569 L570	Q564-E566 VanDerWaalsContact C-N 3.3Å; Q564-E566 PolarHBondContact O-N 3.29Å; E566-R569 PolarHBondContact O-N 2.77Å; E566-R569 IonicContact OE2-CZ 3.02Å; E566-R569 VanDerWaalsContact OE2-CZ 3.31Å; E566-R569 IonicContact OE2-NE 3.32Å; E566-R569 PolarHBondContact OE2-NE 2.71Å; E566-R569 IonicContact OE2-NH2 2.77Å; E566-R569 PolarHBondContact OE2-NH2 3.31Å; E566-L570 PolarHBondContact O-N 2.8Å
567	I	95.7	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71.4	-37.3	175.9	-61.6	179.8	0	0	0	110.2	A527 G530 V535 T559 Q564 R569 L570 L571	A527-I567 HydrophobicContact CB-CG2 3.95Å; G530-I567 VanDerWaalsContact C-CD1 3.48Å; G530-I567 VanDerWaalsContact CA-CD1 3.46Å; V535-I567 HydrophobicContact CG1-CG2 4.12Å; V535-I567 HydrophobicContact CG2-CD1 4.07Å; V535-I567 HydrophobicContact CG2-CG2 4.07Å; T559-I567 HydrophobicContact CG2-CB 3.95Å; T559-I567 HydrophobicContact CG2-CG2 3.62Å; Q564-I567 HydrophobicContact CB-CB 4.12Å; Q564-I567 HydrophobicContact CB-CD1 4.2Å; Q564-I567 HydrophobicContact CB-CG1 4.34Å; Q564-I567 HydrophobicContact CG-CD1 4.5Å; Q564-I567 PolarHBondContact O-N 2.88Å; I567-R569 VanDerWaalsContact C-N 3.33Å; I567-R569 PolarHBondContact O-N 2.99Å; I567-L570 WeakPolarHBondContact O-CB 3.42Å; I567-L570 PolarHBondContact O-N 2.8Å; I567-L570 VanDerWaalsContact O-N 3.13Å; I567-L571 HydrophobicContact CG2-CD1 4.08Å; I567-L571 HydrophobicContact CG2-CG 4.16Å; I567-L571 WeakPolarHBondContact O-CG 3.38Å; I567-L571 PolarHBondContact O-N 3.19Å
568	A	97.3	Very high	94.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-47.8	173	0	0	0	0	0	111.1	L556 T559 Q564 A565 L570 L571 L572 V603	L556-A568 HydrophobicContact CD1-CB 4.13Å; T559-A568 HydrophobicContact CG2-CB 4.38Å; Q564-A568 PolarHBondContact O-N 3.07Å; A565-A568 PolarHBondContact O-N 3.13Å; A568-L570 VanDerWaalsContact C-N 3.32Å; A568-L570 PolarHBondContact O-N 2.83Å; A568-L571 PolarHBondContact O-N 3.06Å; A568-L572 WeakPolarHBondContact O-CB 3.15Å; A568-L572 WeakPolarHBondContact O-CD1 3.47Å; A568-L572 WeakPolarHBondContact O-CG 3.44Å; A568-L572 PolarHBondContact O-N 3.07Å; A568-V603 HydrophobicContact CB-CG1 3.87Å
569	R	97.6	Very high	94.4	Very high	92 Å²	92	42 Å²	42	35%	0.347	23%	0.231	S	C	.	.	H	α-helix	trans	-56.4	-45.5	173.5	-81.6	-172.1	-77.3	-90.7	-5.5	112.1	A565 E566 I567 L572 S573 V603	A565-R569 PolarHBondContact O-N 3.11Å; E566-R569 PolarHBondContact O-N 2.77Å; E566-R569 IonicContact OE2-CZ 3.02Å; E566-R569 VanDerWaalsContact OE2-CZ 3.31Å; E566-R569 IonicContact OE2-NE 3.32Å; E566-R569 PolarHBondContact OE2-NE 2.71Å; E566-R569 IonicContact OE2-NH2 2.77Å; E566-R569 PolarHBondContact OE2-NH2 3.31Å; I567-R569 VanDerWaalsContact C-N 3.33Å; I567-R569 PolarHBondContact O-N 2.99Å; R569-L572 PolarHBondContact O-N 2.74Å; R569-S573 WeakPolarHBondContact O-CB 3.39Å; R569-S573 PolarHBondContact O-N 3.39Å; R569-V603 HydrophobicContact CB-CG1 4.36Å; R569-V603 HydrophobicContact CG-CB 4.29Å; R569-V603 HydrophobicContact CG-CG1 3.53Å; R569-V603 HydrophobicContact CG-CG2 3.72Å
570	L	96.8	Very high	94.3	Very high	32 Å²	32	42.6 Å²	42.6	17%	0.168	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-47.3	179.9	179.6	59.8	0	0	0	111.7	V535 K536 L539 E566 I567 A568 S573 K574	V535-L570 HydrophobicContact CB-CD2 4.48Å; V535-L570 HydrophobicContact CG1-CD2 3.75Å; K536-L570 HydrophobicContact CG-CD2 3.76Å; L539-L570 HydrophobicContact CD1-CD2 4.03Å; L539-L570 HydrophobicContact CD1-CG 3.94Å; E566-L570 PolarHBondContact O-N 2.8Å; I567-L570 WeakPolarHBondContact O-CB 3.42Å; I567-L570 PolarHBondContact O-N 2.8Å; I567-L570 VanDerWaalsContact O-N 3.13Å; A568-L570 VanDerWaalsContact C-N 3.32Å; A568-L570 PolarHBondContact O-N 2.83Å; L570-S573 PolarHBondContact O-N 3.21Å; L570-S573 PolarHBondContact O-OG 2.98Å; L570-K574 WeakPolarHBondContact O-CG 3.19Å; L570-K574 PolarHBondContact O-N 3.4Å
571	L	96.8	Very high	94.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-44.7	179.1	-68.3	176	0	0	0	111.7	L523 A527 V535 L539 V545 A555 T559 I567 A568 S573 K574 G575 A576	L523-L571 HydrophobicContact CD1-CD2 4.3Å; L523-L571 HydrophobicContact CD2-CD2 4.28Å; A527-L571 HydrophobicContact CB-CD1 4.48Å; V535-L571 HydrophobicContact CG1-CD2 4.48Å; L539-L571 HydrophobicContact CD1-CD2 4.21Å; L539-L571 HydrophobicContact CD2-CD2 4.24Å; V545-L571 HydrophobicContact CG1-CD2 4.01Å; A555-L571 HydrophobicContact CB-CD1 3.84Å; A555-L571 HydrophobicContact CB-CD2 4.48Å; T559-L571 HydrophobicContact CG2-CD1 3.74Å; I567-L571 HydrophobicContact CG2-CD1 4.08Å; I567-L571 HydrophobicContact CG2-CG 4.16Å; I567-L571 WeakPolarHBondContact O-CG 3.38Å; I567-L571 PolarHBondContact O-N 3.19Å; A568-L571 PolarHBondContact O-N 3.06Å; L571-S573 VanDerWaalsContact C-N 3.34Å; L571-S573 PolarHBondContact O-N 3.18Å; L571-K574 CarbonylContact O-C 3.57Å; L571-K574 WeakPolarHBondContact O-CA 3.07Å; L571-K574 PolarHBondContact O-N 2.94Å; L571-G575 PolarHBondContact O-N 2.96Å; L571-A576 HydrophobicContact CB-CB 4.06Å; L571-A576 VanDerWaalsContact O-CB 3.24Å; L571-A576 WeakPolarHBondContact O-CB 3.43Å; L571-A576 PolarHBondContact O-N 3.06Å; L571-A576 VanDerWaalsContact O-N 3.11Å
572	L	96.8	Very high	94.5	Very high	18 Å²	18	43.2 Å²	43.2	9%	0.094	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-40.5	176.8	-67.4	163.9	0	0	0	111.7	L556 A568 R569 K574 G575 V578 V603 L604 H607	L556-L572 HydrophobicContact CD1-CD1 4.48Å; L556-L572 HydrophobicContact CD1-CD2 4.32Å; L556-L572 HydrophobicContact CD1-CG 4.13Å; L556-L572 HydrophobicContact CD2-CD2 3.95Å; A568-L572 WeakPolarHBondContact O-CB 3.15Å; A568-L572 WeakPolarHBondContact O-CD1 3.47Å; A568-L572 WeakPolarHBondContact O-CG 3.44Å; A568-L572 PolarHBondContact O-N 3.07Å; R569-L572 PolarHBondContact O-N 2.74Å; L572-K574 PolarHBondContact O-N 2.95Å; L572-K574 VanDerWaalsContact O-N 3.17Å; L572-G575 PolarHBondContact O-N 2.99Å; L572-V578 HydrophobicContact CD2-CB 3.71Å; L572-V578 HydrophobicContact CD2-CG2 3.93Å; L572-V603 HydrophobicContact CD1-CG1 3.8Å; L572-L604 HydrophobicContact CD1-CD2 4.26Å; L572-H607 HydrophobicContact CD1-CB 3.87Å; L572-H607 HydrophobicContact CD2-CB 4.46Å
573	S	95.2	Very high	94.9	Very high	81 Å²	81	47.7 Å²	47.7	57%	0.566	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-20	174.6	80.6	0	0	0	0	113.8	R569 L570 L571	R569-S573 WeakPolarHBondContact O-CB 3.39Å; R569-S573 PolarHBondContact O-N 3.39Å; L570-S573 PolarHBondContact O-N 3.21Å; L570-S573 PolarHBondContact O-OG 2.98Å; L571-S573 VanDerWaalsContact C-N 3.34Å; L571-S573 PolarHBondContact O-N 3.18Å
574	K	93.6	Very high	94.6	Very high	133 Å²	133	47.5 Å²	47.5	58%	0.578	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	10.1	174.7	-66.5	-59.7	-173.9	178.5	0	113.3	L539 L570 L571 L572	L539-K574 HydrophobicContact CD1-CG 4.21Å; L570-K574 WeakPolarHBondContact O-CG 3.19Å; L570-K574 PolarHBondContact O-N 3.4Å; L571-K574 CarbonylContact O-C 3.57Å; L571-K574 WeakPolarHBondContact O-CA 3.07Å; L571-K574 PolarHBondContact O-N 2.94Å; L572-K574 PolarHBondContact O-N 2.95Å; L572-K574 VanDerWaalsContact O-N 3.17Å
575	G	92.1	Very high	94.4	Very high	58 Å²	58	49.8 Å²	49.8	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	18.8	174.6	0	0	0	0	0	114.2	L571 L572 N577	L571-G575 PolarHBondContact O-N 2.96Å; L572-G575 PolarHBondContact O-N 2.99Å; G575-N577 PolarHBondContact O-N 3.32Å
576	A	95.6	Very high	94.3	Very high	10 Å²	10	50.1 Å²	50.1	8%	0.083	28%	0.278	C	S	.	.			trans	-58.8	132.8	170.7	0	0	0	0	0	110.3	V545 E546 L571 V578	V545-A576 HydrophobicContact CB-CB 4.26Å; V545-A576 HydrophobicContact CG2-CB 4.15Å; E546-A576 VanDerWaalsContact OE1-CA 3.27Å; E546-A576 WeakPolarHBondContact OE1-CA 3.27Å; L571-A576 HydrophobicContact CB-CB 4.06Å; L571-A576 VanDerWaalsContact O-CB 3.24Å; L571-A576 WeakPolarHBondContact O-CB 3.43Å; L571-A576 PolarHBondContact O-N 3.06Å; L571-A576 VanDerWaalsContact O-N 3.11Å; A576-V578 PolarHBondContact O-N 2.92Å
577	N	95.1	Very high	94.3	Very high	82 Å²	82	45.2 Å²	45.2	44%	0.439	26%	0.255	S	S	.	.			trans	-73	115.9	177.4	177.3	4.3	0	0	0	110.1	E546 G575 N579 V580	E546-N577 PolarHBondContact OE1-N 3.25Å; G575-N577 PolarHBondContact O-N 3.32Å; N577-N579 PolarHBondContact O-N 3.27Å; N577-N579 PolarHBondContact OD1-N 3.17Å; N577-V580 HydrophobicContact CB-CG2 3.59Å; N577-V580 WeakPolarHBondContact O-CG2 3.23Å
578	V	96.3	Very high	94.3	Very high	17 Å²	17	45.2 Å²	45.2	10%	0.103	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.7	-177.1	68.5	0	0	0	0	113.5	L572 A576 L604 A609	L572-V578 HydrophobicContact CD2-CB 3.71Å; L572-V578 HydrophobicContact CD2-CG2 3.93Å; A576-V578 PolarHBondContact O-N 2.92Å; V578-L604 HydrophobicContact CG2-CB 4.5Å; V578-L604 HydrophobicContact CG2-CD2 3.88Å; V578-A609 HydrophobicContact CG2-CB 3.59Å
579	N	96.3	Very high	94.4	Very high	50 Å²	50	45.4 Å²	45.4	27%	0.267	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	21.1	-171.5	-67.8	-28.8	0	0	0	113.2	N577 L581 D610 L613	N577-N579 PolarHBondContact O-N 3.27Å; N577-N579 PolarHBondContact OD1-N 3.17Å; N579-L581 PolarHBondContact O-N 2.98Å; N579-D610 PolarHBondContact OD1-N 3.15Å; N579-L613 HydrophobicContact CB-CD1 3.77Å
580	V	93.9	Very high	94.2	Very high	13 Å²	13	41 Å²	41	8%	0.079	24%	0.239	C	C	.	.			trans	-66.4	134.8	175.8	177.3	0	0	0	0	109.9	T554 H557 N577 T587	T554-V580 HydrophobicContact CG2-CG1 3.83Å; H557-V580 PolarHBondContact CE1-O 3.29Å; H557-V580 VanDerWaalsContact CE1-O 3.26Å; H557-V580 PolarHBondContact NE2-O 3.47Å; N577-V580 HydrophobicContact CB-CG2 3.59Å; N577-V580 WeakPolarHBondContact O-CG2 3.23Å; V580-T587 WeakPolarHBondContact O-CA 3.37Å
581	L	93.5	Very high	93.9	Very high	54 Å²	54	40 Å²	40	28%	0.283	23%	0.234	S	C	.	.			trans	-99.2	136.7	173.9	-56.1	174	0	0	0	110.5	K548 N579 M585 T587	K548-L581 PolarHBondContact NZ-O 2.98Å; N579-L581 PolarHBondContact O-N 2.98Å; L581-M585 HydrophobicContact CB-SD 4.5Å; L581-M585 HydrophobicContact CD1-SD 3.94Å; L581-M585 WeakPolarHBondContact CD2-O 3.39Å; L581-T587 HydrophobicContact CD2-CG2 3.45Å; L581-T587 VanDerWaalsContact CD2-CG2 3.45Å
582	N	90.6	Very high	93.8	Very high	15 Å²	15	40 Å²	40	8%	0.08	23%	0.234	C	C	.	.			trans	-83.6	-174.4	167.4	77.5	3.1	0	0	0	111.4	D553 S584 M585 C586	D553-N582 WeakPolarHBondContact OD1-CB 3.26Å; D553-N582 PolarHBondContact OD1-ND2 2.94Å; N582-S584 PolarHBondContact O-N 3.41Å; N582-S584 WeakPolarHBondContact OD1-CA 3.39Å; N582-S584 PolarHBondContact OD1-N 3.09Å; N582-M585 PolarHBondContact O-N 3.06Å; N582-M585 PolarHBondContact OD1-N 2.96Å; N582-C586 PolarHBondContact N-O 2.83Å; N582-C586 WeakPolarHBondContact OD1-CB 3.19Å; N582-C586 PolarHBondContact OD1-N 3.04Å; N582-C586 PolarHBondContact OD1-O 2.87Å
583	N	90.3	Very high	93.6	Very high	110 Å²	110	39.1 Å²	39.1	59%	0.588	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.2	-176.1	-66.5	-10.9	0	0	0	113.6	E550 D551 M585	E550-N583 PolarHBondContact O-ND2 2.87Å; D551-N583 VanDerWaalsContact C-CG 3.48Å; D551-N583 VanDerWaalsContact C-ND2 3.3Å; D551-N583 VanDerWaalsContact O-CB 3.31Å; D551-N583 WeakPolarHBondContact O-CB 3.16Å; D551-N583 PolarHBondContact O-N 3.28Å; D551-N583 PolarHBondContact O-ND2 3.18Å; N583-M585 VanDerWaalsContact C-N 3.25Å; N583-M585 PolarHBondContact O-N 3.22Å
584	S	87.5	Confident	93.3	Very high	64 Å²	64	38 Å²	38	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	10.7	174.6	-56.8	0	0	0	0	113.1	N582 C586 S616	N582-S584 PolarHBondContact O-N 3.41Å; N582-S584 WeakPolarHBondContact OD1-CA 3.39Å; N582-S584 PolarHBondContact OD1-N 3.09Å; S584-C586 PolarHBondContact O-N 2.75Å; S584-S616 VanDerWaalsContact O-CB 3.28Å; S584-S616 WeakPolarHBondContact O-CB 3.03Å; S584-S616 PolarHBondContact O-N 2.86Å; S584-S616 VanDerWaalsContact O-N 3.1Å; S584-S616 PolarHBondContact O-OG 2.98Å
585	M	90.9	Very high	92.9	Very high	98 Å²	98	36.7 Å²	36.7	48%	0.483	21%	0.212	S	C	.	.	S	Bend	trans	59.2	21.9	-172.2	-57.9	-72.8	160.3	0	0	113.2	L581 N582 N583 D615	L581-M585 HydrophobicContact CB-SD 4.5Å; L581-M585 HydrophobicContact CD1-SD 3.94Å; L581-M585 WeakPolarHBondContact CD2-O 3.39Å; N582-M585 PolarHBondContact O-N 3.06Å; N582-M585 PolarHBondContact OD1-N 2.96Å; N583-M585 VanDerWaalsContact C-N 3.25Å; N583-M585 PolarHBondContact O-N 3.22Å; M585-D615 WeakPolarHBondContact O-CA 3.22Å
586	C	93	Very high	92.7	Very high	20 Å²	20	35 Å²	35	14%	0.135	19%	0.194	C	C	.	.			trans	-88.1	134.1	176.1	-65.9	0	0	0	0	109.8	H557 N582 S584 H590 I591	H557-C586 PolarHBondContact NE2-O 2.73Å; H557-C586 VanDerWaalsContact NE2-O 3.17Å; N582-C586 PolarHBondContact N-O 2.83Å; N582-C586 WeakPolarHBondContact OD1-CB 3.19Å; N582-C586 PolarHBondContact OD1-N 3.04Å; N582-C586 PolarHBondContact OD1-O 2.87Å; S584-C586 PolarHBondContact O-N 2.75Å; C586-H590 HydrophobicContact CB-CB 4.07Å; C586-I591 HydrophobicContact CB-CG1 4.49Å
587	T	96.1	Very high	92.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	20%	0.2	C	C	.	.			trans	-82.1	167.8	163.6	64.4	0	0	0	0	110.6	V580 L581 L589 H590 I591 L613	V580-T587 WeakPolarHBondContact O-CA 3.37Å; L581-T587 HydrophobicContact CD2-CG2 3.45Å; L581-T587 VanDerWaalsContact CD2-CG2 3.45Å; T587-L589 PolarHBondContact O-N 2.8Å; T587-L589 VanDerWaalsContact O-N 3.1Å; T587-L589 WeakPolarHBondContact OG1-CB 3.47Å; T587-L589 PolarHBondContact OG1-N 3.22Å; T587-L589 VanDerWaalsContact OG1-N 3.14Å; T587-H590 PolarHBondContact N-ND1 3.13Å; T587-H590 WeakPolarHBondContact O-CB 3.4Å; T587-H590 PolarHBondContact O-N 2.97Å; T587-H590 VanDerWaalsContact O-N 3.16Å; T587-H590 PolarHBondContact OG1-N 2.93Å; T587-H590 VanDerWaalsContact OG1-N 3.14Å; T587-H590 PolarHBondContact OG1-ND1 2.73Å; T587-I591 PolarHBondContact O-N 2.95Å; T587-L613 HydrophobicContact CG2-CB 4.28Å; T587-L613 HydrophobicContact CG2-CD1 3.76Å
588	A	96.1	Very high	92.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-53	-31.1	165.1	0	0	0	0	0	113.7	L556 H557 A560 I591 A592 L604	L556-A588 HydrophobicContact CD2-CB 4.23Å; L556-A588 HydrophobicContact CG-CB 3.88Å; H557-A588 PolarHBondContact NE2-N 3.15Å; A560-A588 HydrophobicContact CB-CB 4.3Å; A560-A588 VanDerWaalsContact CB-O 3.26Å; A560-A588 WeakPolarHBondContact CB-O 3.13Å; A588-I591 PolarHBondContact O-N 2.95Å; A588-A592 WeakPolarHBondContact O-CB 3.22Å; A588-A592 PolarHBondContact O-N 2.9Å; A588-L604 HydrophobicContact CB-CD1 4.14Å; A588-L604 HydrophobicContact CB-CD2 4.3Å
589	L	98	Very high	92.4	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-50	176.6	-178.3	60.1	0	0	0	112.2	T587 I591 A592 V593 V601 L604 A609 V611 P621 L637	T587-L589 PolarHBondContact O-N 2.8Å; T587-L589 VanDerWaalsContact O-N 3.1Å; T587-L589 WeakPolarHBondContact OG1-CB 3.47Å; T587-L589 PolarHBondContact OG1-N 3.22Å; T587-L589 VanDerWaalsContact OG1-N 3.14Å; L589-I591 VanDerWaalsContact C-N 3.29Å; L589-I591 PolarHBondContact O-N 3.42Å; L589-A592 PolarHBondContact O-N 3.19Å; L589-V593 HydrophobicContact CD1-CG2 4.19Å; L589-V593 HydrophobicContact CG-CG2 4.47Å; L589-V593 WeakPolarHBondContact O-CG2 3.25Å; L589-V593 PolarHBondContact O-N 3.4Å; L589-V601 HydrophobicContact CD1-CB 4.27Å; L589-V601 HydrophobicContact CD1-CG1 3.98Å; L589-V601 HydrophobicContact CD1-CG2 4.12Å; L589-L604 HydrophobicContact CB-CD1 4.04Å; L589-L604 HydrophobicContact CD1-CB 4.27Å; L589-L604 HydrophobicContact CD1-CD1 4.21Å; L589-A609 HydrophobicContact CD2-CB 4.1Å; L589-V611 HydrophobicContact CD2-CG1 3.99Å; L589-P621 HydrophobicContact CD2-CB 4.04Å; L589-P621 HydrophobicContact CD2-CG 3.79Å; L589-P621 HydrophobicContact CG-CB 3.94Å; L589-P621 HydrophobicContact CG-CG 3.9Å; L589-L637 HydrophobicContact CD1-CD2 4.46Å; L589-L637 HydrophobicContact CD2-CD2 4.36Å
590	H	93.6	Very high	92.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-50.9	-45.2	172	-70.7	91.5	0	0	0	112.9	C586 T587 V593 N594 L613 D619 P621 D624	C586-H590 HydrophobicContact CB-CB 4.07Å; T587-H590 PolarHBondContact N-ND1 3.13Å; T587-H590 WeakPolarHBondContact O-CB 3.4Å; T587-H590 PolarHBondContact O-N 2.97Å; T587-H590 VanDerWaalsContact O-N 3.16Å; T587-H590 PolarHBondContact OG1-N 2.93Å; T587-H590 VanDerWaalsContact OG1-N 3.14Å; T587-H590 PolarHBondContact OG1-ND1 2.73Å; H590-V593 PolarHBondContact O-N 3.29Å; H590-N594 WeakPolarHBondContact O-CB 3.33Å; H590-N594 PolarHBondContact O-N 3.49Å; H590-N594 PolarHBondContact O-ND2 3.36Å; H590-L613 PolarHBondContact CE1-O 2.98Å; H590-L613 PolarHBondContact NE2-O 3.34Å; H590-D619 PolarHBondContact NE2-O 2.77Å; H590-P621 VanDerWaalsContact NE2-CD 3.32Å; H590-P621 WeakPolarHBondContact NE2-CD 3.15Å; H590-D624 IonicContact CD2-OD2 2.74Å
591	I	90.6	Very high	92.3	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-48.1	178.5	-63.3	168.4	0	0	0	110.5	H557 A560 F561 C586 T587 A588 L589 V593 N594 K595	H557-I591 HydrophobicContact CB-CD1 4Å; A560-I591 HydrophobicContact CB-CB 3.92Å; A560-I591 HydrophobicContact CB-CG2 3.81Å; F561-I591 HydrophobicContact CD1-CG2 3.6Å; F561-I591 HydrophobicContact CD2-CD1 4.37Å; F561-I591 HydrophobicContact CD2-CG2 4.46Å; F561-I591 HydrophobicContact CE1-CD1 4.22Å; F561-I591 HydrophobicContact CE1-CG1 4.42Å; F561-I591 HydrophobicContact CE1-CG2 3.64Å; F561-I591 HydrophobicContact CE2-CD1 3.69Å; F561-I591 HydrophobicContact CG-CG2 4.03Å; F561-I591 HydrophobicContact CZ-CD1 3.6Å; F561-I591 HydrophobicContact CZ-CG1 4.21Å; F561-I591 HydrophobicContact CZ-CG2 4.11Å; C586-I591 HydrophobicContact CB-CG1 4.49Å; T587-I591 PolarHBondContact O-N 2.95Å; A588-I591 PolarHBondContact O-N 2.95Å; L589-I591 VanDerWaalsContact C-N 3.29Å; L589-I591 PolarHBondContact O-N 3.42Å; I591-V593 VanDerWaalsContact C-N 3.28Å; I591-V593 PolarHBondContact O-N 3.34Å; I591-N594 PolarHBondContact O-N 2.95Å; I591-K595 HydrophobicContact CG2-CG 4.41Å; I591-K595 WeakPolarHBondContact O-CB 3.41Å; I591-K595 WeakPolarHBondContact O-CG 3.3Å; I591-K595 PolarHBondContact O-N 3.23Å
592	A	95.2	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-39.6	179.2	0	0	0	0	0	111.7	A560 A588 L589 G596 F597 V600 V601 L604	A560-A592 HydrophobicContact CB-CB 4.09Å; A588-A592 WeakPolarHBondContact O-CB 3.22Å; A588-A592 PolarHBondContact O-N 2.9Å; L589-A592 PolarHBondContact O-N 3.19Å; A592-G596 PolarHBondContact O-N 2.74Å; A592-G596 VanDerWaalsContact O-N 3.09Å; A592-F597 PolarHBondContact O-N 2.83Å; A592-V600 HydrophobicContact CB-CB 3.97Å; A592-V600 HydrophobicContact CB-CG1 3.72Å; A592-V601 HydrophobicContact CB-CG2 3.84Å; A592-L604 HydrophobicContact CB-CD1 4.29Å
593	V	91.9	Very high	92.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.7	-51.5	174.6	172.8	0	0	0	0	111.3	L589 H590 I591 K595 G596 V601 P621 D624 A625 F630 I633 L637	L589-V593 HydrophobicContact CD1-CG2 4.19Å; L589-V593 HydrophobicContact CG-CG2 4.47Å; L589-V593 WeakPolarHBondContact O-CG2 3.25Å; L589-V593 PolarHBondContact O-N 3.4Å; H590-V593 PolarHBondContact O-N 3.29Å; I591-V593 VanDerWaalsContact C-N 3.28Å; I591-V593 PolarHBondContact O-N 3.34Å; V593-K595 PolarHBondContact O-N 3.32Å; V593-G596 PolarHBondContact O-N 2.72Å; V593-V601 HydrophobicContact CG2-CG2 3.8Å; V593-P621 WeakPolarHBondContact CG1-O 3.39Å; V593-P621 HydrophobicContact CG2-CB 4.01Å; V593-D624 HydrophobicContact CG1-CB 3.79Å; V593-A625 HydrophobicContact CG1-CB 3.75Å; V593-F630 WeakPolarHBondContact O-CD2 3.49Å; V593-F630 WeakPolarHBondContact O-CE2 3.31Å; V593-I633 HydrophobicContact CB-CG2 4.43Å; V593-I633 HydrophobicContact CG1-CG2 4.08Å; V593-I633 HydrophobicContact CG2-CG2 3.77Å; V593-L637 HydrophobicContact CG2-CD1 4.09Å
594	N	89.3	Confident	93.1	Very high	58 Å²	58	32.3 Å²	32.3	31%	0.31	17%	0.168	S	C	.	.	H	α-helix	trans	-59.6	-30.3	-178.9	-88.4	-62.6	0	0	0	113.2	H590 I591 D624	H590-N594 WeakPolarHBondContact O-CB 3.33Å; H590-N594 PolarHBondContact O-N 3.49Å; H590-N594 PolarHBondContact O-ND2 3.36Å; I591-N594 PolarHBondContact O-N 2.95Å; N594-D624 PolarHBondContact ND2-OD2 2.91Å
595	K	84.6	Confident	93.4	Very high	106 Å²	106	30.6 Å²	30.6	46%	0.461	16%	0.155	S	C	.	.	H	α-helix	trans	-88.3	-8.3	175.6	-61.4	-66.5	-177.8	-173.3	0	114	I591 V593 F597	I591-K595 HydrophobicContact CG2-CG 4.41Å; I591-K595 WeakPolarHBondContact O-CB 3.41Å; I591-K595 WeakPolarHBondContact O-CG 3.3Å; I591-K595 PolarHBondContact O-N 3.23Å; V593-K595 PolarHBondContact O-N 3.32Å; K595-F597 HydrophobicContact CB-CD1 4.31Å; K595-F597 HydrophobicContact CB-CD2 3.59Å; K595-F597 HydrophobicContact CB-CE1 4.18Å; K595-F597 HydrophobicContact CB-CE2 3.44Å; K595-F597 VanDerWaalsContact CB-CE2 3.44Å; K595-F597 HydrophobicContact CB-CG 4.03Å; K595-F597 HydrophobicContact CB-CZ 3.76Å; K595-F597 HydrophobicContact CG-CD2 4.4Å; K595-F597 HydrophobicContact CG-CE2 3.97Å; K595-F597 HydrophobicContact CG-CZ 4.44Å
596	G	88.4	Confident	93.6	Very high	22 Å²	22	31.6 Å²	31.6	23%	0.227	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	17.7	180	0	0	0	0	0	114.8	A592 V593 T598	A592-G596 PolarHBondContact O-N 2.74Å; A592-G596 VanDerWaalsContact O-N 3.09Å; V593-G596 PolarHBondContact O-N 2.72Å; G596-T598 PolarHBondContact O-N 3.24Å
597	F	94.4	Very high	93.6	Very high	50 Å²	50	34.3 Å²	34.3	22%	0.219	17%	0.169	C	C	.	.			trans	-82.5	80.4	-174.4	-63.6	-25.9	0	0	0	112.3	A560 N563 A592 K595 D599 V600 V601	A560-F597 WeakPolarHBondContact O-CD2 3.42Å; A560-F597 WeakPolarHBondContact O-CE2 3.38Å; N563-F597 HydrophobicContact CB-CB 4.49Å; N563-F597 HydrophobicContact CB-CD1 3.8Å; N563-F597 HydrophobicContact CB-CD2 3.67Å; N563-F597 HydrophobicContact CB-CE1 3.85Å; N563-F597 HydrophobicContact CB-CE2 3.71Å; N563-F597 HydrophobicContact CB-CG 3.73Å; N563-F597 HydrophobicContact CB-CZ 3.8Å; N563-F597 WeakPolarHBondContact OD1-CB 3.3Å; N563-F597 WeakPolarHBondContact OD1-CG 3.49Å; A592-F597 PolarHBondContact O-N 2.83Å; K595-F597 HydrophobicContact CB-CD1 4.31Å; K595-F597 HydrophobicContact CB-CD2 3.59Å; K595-F597 HydrophobicContact CB-CE1 4.18Å; K595-F597 HydrophobicContact CB-CE2 3.44Å; K595-F597 VanDerWaalsContact CB-CE2 3.44Å; K595-F597 HydrophobicContact CB-CG 4.03Å; K595-F597 HydrophobicContact CB-CZ 3.76Å; K595-F597 HydrophobicContact CG-CD2 4.4Å; K595-F597 HydrophobicContact CG-CE2 3.97Å; K595-F597 HydrophobicContact CG-CZ 4.44Å; F597-D599 VanDerWaalsContact C-N 3.3Å; F597-D599 PolarHBondContact O-N 2.89Å; F597-V600 HydrophobicContact CB-CB 4.26Å; F597-V600 HydrophobicContact CB-CG2 4.2Å; F597-V600 PolarHBondContact O-N 2.89Å; F597-V600 VanDerWaalsContact O-N 3.14Å; F597-V601 WeakPolarHBondContact O-CG2 3.36Å; F597-V601 PolarHBondContact O-N 2.87Å
598	T	91.2	Very high	93.4	Very high	37 Å²	37	38 Å²	38	23%	0.227	20%	0.2	C	C	.	.	H	α-helix	trans	-55.8	-38.8	-174	-57.1	0	0	0	0	113.5	G596 V601 R602 I636	G596-T598 PolarHBondContact O-N 3.24Å; T598-V601 PolarHBondContact O-N 3.03Å; T598-R602 PolarHBondContact O-N 3.33Å; T598-I636 HydrophobicContact CG2-CD1 3.52Å
599	D	94.6	Very high	93.3	Very high	98 Å²	98	38.3 Å²	38.3	52%	0.524	20%	0.203	S	C	.	.	H	α-helix	trans	-69.9	-36.7	-179.4	-68.5	-31.6	0	0	0	112.5	A565 F597 R602 V603	A565-D599 HydrophobicContact CB-CB 3.9Å; F597-D599 VanDerWaalsContact C-N 3.3Å; F597-D599 PolarHBondContact O-N 2.89Å; D599-R602 PolarHBondContact O-N 2.91Å; D599-V603 WeakPolarHBondContact O-CG2 3.35Å; D599-V603 PolarHBondContact O-N 3.02Å
600	V	92.1	Very high	93.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.6	-42.6	174.5	-178.9	0	0	0	0	110.1	A560 A565 A592 F597 R602 V603 L604	A560-V600 HydrophobicContact CB-CG1 4.24Å; A565-V600 HydrophobicContact CB-CG2 4.11Å; A592-V600 HydrophobicContact CB-CB 3.97Å; A592-V600 HydrophobicContact CB-CG1 3.72Å; F597-V600 HydrophobicContact CB-CB 4.26Å; F597-V600 HydrophobicContact CB-CG2 4.2Å; F597-V600 PolarHBondContact O-N 2.89Å; F597-V600 VanDerWaalsContact O-N 3.14Å; V600-R602 VanDerWaalsContact C-N 3.28Å; V600-R602 PolarHBondContact O-N 2.82Å; V600-V603 PolarHBondContact O-N 2.86Å; V600-L604 HydrophobicContact CG1-CD1 3.82Å; V600-L604 HydrophobicContact CG1-CG 4.24Å; V600-L604 VanDerWaalsContact O-CG 3.26Å; V600-L604 WeakPolarHBondContact O-CG 3.44Å; V600-L604 PolarHBondContact O-N 3.45Å
601	V	96.4	Very high	93.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.6	-44.6	173.3	170.9	0	0	0	0	111.1	L589 A592 V593 F597 T598 L604 T605 I633 I636 L637	L589-V601 HydrophobicContact CD1-CB 4.27Å; L589-V601 HydrophobicContact CD1-CG1 3.98Å; L589-V601 HydrophobicContact CD1-CG2 4.12Å; A592-V601 HydrophobicContact CB-CG2 3.84Å; V593-V601 HydrophobicContact CG2-CG2 3.8Å; F597-V601 WeakPolarHBondContact O-CG2 3.36Å; F597-V601 PolarHBondContact O-N 2.87Å; T598-V601 PolarHBondContact O-N 3.03Å; V601-L604 PolarHBondContact O-N 2.91Å; V601-T605 HydrophobicContact CG1-CG2 4.47Å; V601-T605 WeakPolarHBondContact O-CB 3.35Å; V601-T605 WeakPolarHBondContact O-CG2 3.34Å; V601-T605 PolarHBondContact O-N 2.92Å; V601-T605 PolarHBondContact O-OG1 2.7Å; V601-I633 HydrophobicContact CG1-CG2 4.29Å; V601-I633 HydrophobicContact CG2-CD1 4.13Å; V601-I633 HydrophobicContact CG2-CG1 4.35Å; V601-I633 HydrophobicContact CG2-CG2 4.41Å; V601-I636 HydrophobicContact CG1-CG2 4.04Å; V601-L637 HydrophobicContact CG1-CD2 4.21Å
602	R	96.3	Very high	93.6	Very high	108 Å²	108	42.4 Å²	42.4	41%	0.408	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-47.3	177.7	-167.3	-173.9	-52.7	-72.9	-6	111.8	T598 D599 V600 L604 T605 E606	T598-R602 PolarHBondContact O-N 3.33Å; D599-R602 PolarHBondContact O-N 2.91Å; V600-R602 VanDerWaalsContact C-N 3.28Å; V600-R602 PolarHBondContact O-N 2.82Å; R602-L604 VanDerWaalsContact C-N 3.34Å; R602-L604 PolarHBondContact O-N 3.14Å; R602-T605 WeakPolarHBondContact CA-OG1 3.31Å; R602-T605 PolarHBondContact O-N 3.39Å; R602-T605 PolarHBondContact O-OG1 3.44Å; R602-E606 HydrophobicContact CG-CG 4.4Å; R602-E606 WeakPolarHBondContact CG-OE1 3.5Å; R602-E606 WeakPolarHBondContact O-CB 3.19Å; R602-E606 VanDerWaalsContact O-CG 3.23Å; R602-E606 WeakPolarHBondContact O-CG 3.41Å; R602-E606 PolarHBondContact O-N 2.97Å
603	V	97.3	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-46.1	177.9	167.6	0	0	0	0	112	A565 A568 R569 L572 D599 V600 E606 H607	A565-V603 HydrophobicContact CB-CG2 4.01Å; A568-V603 HydrophobicContact CB-CG1 3.87Å; R569-V603 HydrophobicContact CB-CG1 4.36Å; R569-V603 HydrophobicContact CG-CB 4.29Å; R569-V603 HydrophobicContact CG-CG1 3.53Å; R569-V603 HydrophobicContact CG-CG2 3.72Å; L572-V603 HydrophobicContact CD1-CG1 3.8Å; D599-V603 WeakPolarHBondContact O-CG2 3.35Å; D599-V603 PolarHBondContact O-N 3.02Å; V600-V603 PolarHBondContact O-N 2.86Å; V603-E606 PolarHBondContact O-N 2.92Å; V603-H607 PolarHBondContact O-N 2.81Å; V603-H607 PolarHBondContact O-ND1 3.32Å
604	L	97	Very high	93.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-44.6	-179	-67.1	170.7	0	0	0	110.8	L556 L572 V578 A588 L589 A592 V600 V601 R602 H607 A609	L556-L604 HydrophobicContact CD1-CD2 4.16Å; L556-L604 HydrophobicContact CD2-CD2 4.16Å; L556-L604 HydrophobicContact CG-CD2 4.32Å; L572-L604 HydrophobicContact CD1-CD2 4.26Å; V578-L604 HydrophobicContact CG2-CB 4.5Å; V578-L604 HydrophobicContact CG2-CD2 3.88Å; A588-L604 HydrophobicContact CB-CD1 4.14Å; A588-L604 HydrophobicContact CB-CD2 4.3Å; L589-L604 HydrophobicContact CB-CD1 4.04Å; L589-L604 HydrophobicContact CD1-CB 4.27Å; L589-L604 HydrophobicContact CD1-CD1 4.21Å; A592-L604 HydrophobicContact CB-CD1 4.29Å; V600-L604 HydrophobicContact CG1-CD1 3.82Å; V600-L604 HydrophobicContact CG1-CG 4.24Å; V600-L604 VanDerWaalsContact O-CG 3.26Å; V600-L604 WeakPolarHBondContact O-CG 3.44Å; V600-L604 PolarHBondContact O-N 3.45Å; V601-L604 PolarHBondContact O-N 2.91Å; R602-L604 VanDerWaalsContact C-N 3.34Å; R602-L604 PolarHBondContact O-N 3.14Å; L604-H607 CarbonylContact O-C 3.56Å; L604-H607 PolarHBondContact O-N 3.13Å; L604-A609 HydrophobicContact CB-CB 4.04Å; L604-A609 WeakPolarHBondContact O-CB 3.31Å; L604-A609 PolarHBondContact O-N 2.81Å
605	T	93.9	Very high	93.8	Very high	28 Å²	28	45.1 Å²	45.1	17%	0.172	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-37.2	178.1	50	0	0	0	0	113.3	V601 R602 H607 A608 V611 I636 L637 V640	V601-T605 HydrophobicContact CG1-CG2 4.47Å; V601-T605 WeakPolarHBondContact O-CB 3.35Å; V601-T605 WeakPolarHBondContact O-CG2 3.34Å; V601-T605 PolarHBondContact O-N 2.92Å; V601-T605 PolarHBondContact O-OG1 2.7Å; R602-T605 WeakPolarHBondContact CA-OG1 3.31Å; R602-T605 PolarHBondContact O-N 3.39Å; R602-T605 PolarHBondContact O-OG1 3.44Å; T605-H607 PolarHBondContact O-N 3.4Å; T605-A608 PolarHBondContact O-N 3.02Å; T605-A608 VanDerWaalsContact O-N 3.11Å; T605-V611 HydrophobicContact CG2-CG1 4.17Å; T605-I636 HydrophobicContact CG2-CG2 4.33Å; T605-L637 HydrophobicContact CG2-CD2 3.92Å; T605-V640 HydrophobicContact CG2-CG2 4.23Å
606	E	94.7	Very high	94.1	Very high	120 Å²	120	42.7 Å²	42.7	56%	0.561	23%	0.234	S	C	*	.	H	α-helix	trans	-59.9	-30.3	172.4	-76.9	169.4	-178.7	0	0	112.7	R602 V603 A608	R602-E606 HydrophobicContact CG-CG 4.4Å; R602-E606 WeakPolarHBondContact CG-OE1 3.5Å; R602-E606 WeakPolarHBondContact O-CB 3.19Å; R602-E606 VanDerWaalsContact O-CG 3.23Å; R602-E606 WeakPolarHBondContact O-CG 3.41Å; R602-E606 PolarHBondContact O-N 2.97Å; V603-E606 PolarHBondContact O-N 2.92Å; E606-A608 VanDerWaalsContact C-N 3.3Å
607	H	94.6	Very high	94	Very high	77 Å²	77	49 Å²	49	36%	0.356	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	27	177.6	-66.5	73.4	0	0	0	112.5	L572 V603 L604 T605 A609	L572-H607 HydrophobicContact CD1-CB 3.87Å; L572-H607 HydrophobicContact CD2-CB 4.46Å; V603-H607 PolarHBondContact O-N 2.81Å; V603-H607 PolarHBondContact O-ND1 3.32Å; L604-H607 CarbonylContact O-C 3.56Å; L604-H607 PolarHBondContact O-N 3.13Å; T605-H607 PolarHBondContact O-N 3.4Å; H607-A609 VanDerWaalsContact C-N 3.33Å; H607-A609 PolarHBondContact O-N 2.82Å
608	A	90.4	Very high	93.7	Very high	79 Å²	79	46.6 Å²	46.6	65%	0.653	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.7	38.8	175.3	0	0	0	0	0	114.2	T605 E606 D610	T605-A608 PolarHBondContact O-N 3.02Å; T605-A608 VanDerWaalsContact O-N 3.11Å; E606-A608 VanDerWaalsContact C-N 3.3Å; A608-D610 PolarHBondContact O-N 2.69Å
609	A	95.4	Very high	93.8	Very high	7 Å²	7	45.3 Å²	45.3	6%	0.058	23%	0.233	C	C	.	.			trans	-52.5	134.3	163.6	0	0	0	0	0	110.4	V578 L589 L604 H607 V611	V578-A609 HydrophobicContact CG2-CB 3.59Å; L589-A609 HydrophobicContact CD2-CB 4.1Å; L604-A609 HydrophobicContact CB-CB 4.04Å; L604-A609 WeakPolarHBondContact O-CB 3.31Å; L604-A609 PolarHBondContact O-N 2.81Å; H607-A609 VanDerWaalsContact C-N 3.33Å; H607-A609 PolarHBondContact O-N 2.82Å; A609-V611 PolarHBondContact O-N 2.89Å
610	D	95	Very high	93.9	Very high	62 Å²	62	40.8 Å²	40.8	33%	0.332	21%	0.208	S	C	.	.			trans	-76.7	109.8	175.1	-171.8	-9.4	0	0	0	109.4	N579 A608 N612 L613	N579-D610 PolarHBondContact OD1-N 3.15Å; A608-D610 PolarHBondContact O-N 2.69Å; D610-N612 PolarHBondContact O-N 3.2Å; D610-N612 WeakPolarHBondContact OD1-CB 3.36Å; D610-N612 PolarHBondContact OD1-N 3.13Å; D610-N612 PolarHBondContact OD1-ND2 3.06Å; D610-L613 HydrophobicContact CB-CD1 3.97Å; D610-L613 HydrophobicContact CB-CG 3.92Å
611	V	96.6	Very high	94.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.2	-178.4	-58.8	0	0	0	0	113.3	L589 T605 A609 P621 L637 V640 I643	L589-V611 HydrophobicContact CD2-CG1 3.99Å; T605-V611 HydrophobicContact CG2-CG1 4.17Å; A609-V611 PolarHBondContact O-N 2.89Å; V611-P621 WeakPolarHBondContact O-CD 3.41Å; V611-L637 HydrophobicContact CG1-CD2 3.87Å; V611-V640 HydrophobicContact CG1-CB 4.38Å; V611-V640 HydrophobicContact CG1-CG1 4.12Å; V611-V640 HydrophobicContact CG1-CG2 4.11Å; V611-V640 HydrophobicContact CG2-CB 4.32Å; V611-V640 HydrophobicContact CG2-CG1 4Å; V611-I643 HydrophobicContact CG2-CB 3.94Å; V611-I643 HydrophobicContact CG2-CD1 4.46Å; V611-I643 HydrophobicContact CG2-CG1 4.02Å
612	N	95.9	Very high	94.2	Very high	33 Å²	33	40.8 Å²	40.8	18%	0.176	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-5.6	-177.5	-52.2	-58.5	0	0	0	113.5	D610 Q614 N642 D644	D610-N612 PolarHBondContact O-N 3.2Å; D610-N612 WeakPolarHBondContact OD1-CB 3.36Å; D610-N612 PolarHBondContact OD1-N 3.13Å; D610-N612 PolarHBondContact OD1-ND2 3.06Å; N612-Q614 PolarHBondContact O-N 3.13Å; N612-N642 PolarHBondContact ND2-O 3.32Å; N612-D644 PolarHBondContact OD1-N 3.15Å
613	L	94.7	Very high	94.2	Very high	46 Å²	46	35.7 Å²	35.7	24%	0.241	19%	0.19	C	C	.	.			trans	-59.9	138.7	173.9	-69.1	174	0	0	0	109.6	N579 T587 H590 D610 P621	N579-L613 HydrophobicContact CB-CD1 3.77Å; T587-L613 HydrophobicContact CG2-CB 4.28Å; T587-L613 HydrophobicContact CG2-CD1 3.76Å; H590-L613 PolarHBondContact CE1-O 2.98Å; H590-L613 PolarHBondContact NE2-O 3.34Å; D610-L613 HydrophobicContact CB-CD1 3.97Å; D610-L613 HydrophobicContact CB-CG 3.92Å; L613-P621 WeakPolarHBondContact O-CD 3.44Å
614	Q	94.4	Very high	94	Very high	56 Å²	56	36.4 Å²	36.4	26%	0.262	19%	0.193	S	C	.	.			trans	-104.1	140.6	-176.9	-67.1	-176.9	-65.6	0	0	110.4	N612 G618 D619 T620 Q647 Q648	N612-Q614 PolarHBondContact O-N 3.13Å; Q614-G618 WeakPolarHBondContact CG-O 3.39Å; Q614-G618 PolarHBondContact NE2-O 2.85Å; Q614-D619 WeakPolarHBondContact CA-O 3.17Å; Q614-T620 HydrophobicContact CG-CG2 3.97Å; Q614-Q647 HydrophobicContact CG-CG 4.48Å; Q614-Q648 PolarHBondContact NE2-O 3.42Å
615	D	91.4	Very high	93.9	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.07	19%	0.193	C	C	.	.			trans	-76.5	-174	170.7	78.9	-7	0	0	0	112.5	M585 Y617 G618 D619	M585-D615 WeakPolarHBondContact O-CA 3.22Å; D615-Y617 PolarHBondContact O-N 2.8Å; D615-Y617 VanDerWaalsContact O-N 3.13Å; D615-Y617 WeakPolarHBondContact OD1-CA 3.43Å; D615-Y617 WeakPolarHBondContact OD1-CB 3.46Å; D615-Y617 PolarHBondContact OD1-N 3.17Å; D615-G618 PolarHBondContact O-N 3.37Å; D615-G618 PolarHBondContact OD1-N 2.74Å; D615-G618 VanDerWaalsContact OD1-N 3.11Å; D615-D619 PolarHBondContact N-O 3.3Å; D615-D619 PolarHBondContact OD1-N 2.79Å
616	S	91.6	Very high	93.9	Very high	56 Å²	56	35.1 Å²	35.1	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.2	178.5	61.4	0	0	0	0	114.8	S584 H650	S584-S616 VanDerWaalsContact O-CB 3.28Å; S584-S616 WeakPolarHBondContact O-CB 3.03Å; S584-S616 PolarHBondContact O-N 2.86Å; S584-S616 VanDerWaalsContact O-N 3.1Å; S584-S616 PolarHBondContact O-OG 2.98Å; S616-H650 PolarHBondContact O-CE1 3.09Å; S616-H650 VanDerWaalsContact O-CE1 3.22Å; S616-H650 PolarHBondContact O-ND1 2.81Å
617	Y	85.3	Confident	93.7	Very high	154 Å²	154	31.4 Å²	31.4	60%	0.604	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-0.7	175.3	-59.1	-72.8	0	0	0	112.9	D615 H650	D615-Y617 PolarHBondContact O-N 2.8Å; D615-Y617 VanDerWaalsContact O-N 3.13Å; D615-Y617 WeakPolarHBondContact OD1-CA 3.43Å; D615-Y617 WeakPolarHBondContact OD1-CB 3.46Å; D615-Y617 PolarHBondContact OD1-N 3.17Å; Y617-H650 WeakPolarHBondContact O-CB 3.35Å; Y617-H650 PolarHBondContact O-N 3.43Å; Y617-H650 PolarHBondContact O-ND1 2.94Å
618	G	89.7	Confident	93.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	78.7	5	-173.2	0	0	0	0	0	112.3	Q614 D615 N649 H650	Q614-G618 WeakPolarHBondContact CG-O 3.39Å; Q614-G618 PolarHBondContact NE2-O 2.85Å; D615-G618 PolarHBondContact O-N 3.37Å; D615-G618 PolarHBondContact OD1-N 2.74Å; D615-G618 VanDerWaalsContact OD1-N 3.11Å; G618-N649 WeakPolarHBondContact O-CA 3.47Å; G618-N649 WeakPolarHBondContact O-CB 3.4Å; G618-H650 PolarHBondContact N-CE1 2.65Å; G618-H650 VanDerWaalsContact N-CE1 3.34Å; G618-H650 PolarHBondContact N-ND1 3.1Å
619	D	93.2	Very high	93.3	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.053	17%	0.171	C	C	.	.			trans	-80.1	134.7	-178.1	-76.4	-42.6	0	0	0	108.5	H590 Q614 D615 H623 N649 R651	H590-D619 PolarHBondContact NE2-O 2.77Å; Q614-D619 WeakPolarHBondContact CA-O 3.17Å; D615-D619 PolarHBondContact N-O 3.3Å; D615-D619 PolarHBondContact OD1-N 2.79Å; D619-H623 HydrophobicContact CB-CB 3.8Å; D619-H623 IonicContact OD1-CD2 3.38Å; D619-H623 IonicContact OD1-CG 3.39Å; D619-N649 VanDerWaalsContact OD1-CB 3.26Å; D619-N649 WeakPolarHBondContact OD1-CB 3.47Å; D619-N649 PolarHBondContact OD1-ND2 3.08Å; D619-R651 IonicContact OD1-NH2 2.7Å; D619-R651 IonicContact OD2-NH2 2.92Å; D619-R651 PolarHBondContact OD2-NH2 2.95Å
620	T	97	Very high	93.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	18%	0.181	C	C	.	.			trans	-85.7	165.6	171.2	71.4	0	0	0	0	109.2	Q614 L622 H623 D624 Q647	Q614-T620 HydrophobicContact CG-CG2 3.97Å; T620-L622 PolarHBondContact O-N 2.87Å; T620-H623 PolarHBondContact N-ND1 3.07Å; T620-H623 VanDerWaalsContact N-ND1 3.17Å; T620-H623 WeakPolarHBondContact O-CA 3.38Å; T620-H623 VanDerWaalsContact O-CB 3.29Å; T620-H623 WeakPolarHBondContact O-CB 3.25Å; T620-H623 PolarHBondContact O-N 2.82Å; T620-H623 PolarHBondContact OG1-ND1 3.33Å; T620-D624 PolarHBondContact O-N 3.45Å; T620-Q647 HydrophobicContact CG2-CG 4.23Å
621	P	97.3	Very high	92.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-54.9	-30	175.6	-26.5	35.2	0	0	0	113.4	L589 H590 V593 V611 L613 A625 L637	L589-P621 HydrophobicContact CD2-CB 4.04Å; L589-P621 HydrophobicContact CD2-CG 3.79Å; L589-P621 HydrophobicContact CG-CB 3.94Å; L589-P621 HydrophobicContact CG-CG 3.9Å; H590-P621 VanDerWaalsContact NE2-CD 3.32Å; H590-P621 WeakPolarHBondContact NE2-CD 3.15Å; V593-P621 WeakPolarHBondContact CG1-O 3.39Å; V593-P621 HydrophobicContact CG2-CB 4.01Å; V611-P621 WeakPolarHBondContact O-CD 3.41Å; L613-P621 WeakPolarHBondContact O-CD 3.44Å; P621-A625 WeakPolarHBondContact O-CB 3.42Å; P621-A625 PolarHBondContact O-N 3.41Å; P621-L637 HydrophobicContact CB-CD1 4.1Å
622	L	97.6	Very high	92.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-75.1	-31	175.4	-175.8	59.5	0	0	0	112.3	T620 D624 A625 I626 I634 L637 V638 I643 L655	T620-L622 PolarHBondContact O-N 2.87Å; L622-D624 VanDerWaalsContact C-N 3.35Å; L622-A625 HydrophobicContact CD1-CB 4.34Å; L622-A625 PolarHBondContact O-N 2.95Å; L622-I626 HydrophobicContact CD1-CD1 4.27Å; L622-I626 HydrophobicContact CD1-CG1 4.15Å; L622-I626 HydrophobicContact CG-CD1 3.94Å; L622-I626 HydrophobicContact CG-CG1 4.32Å; L622-I626 WeakPolarHBondContact O-CB 3.47Å; L622-I626 WeakPolarHBondContact O-CD1 3.34Å; L622-I626 WeakPolarHBondContact O-CG1 3.48Å; L622-I626 PolarHBondContact O-N 3.16Å; L622-I634 HydrophobicContact CD1-CB 4.4Å; L622-I634 HydrophobicContact CD1-CG1 4.25Å; L622-I634 HydrophobicContact CD1-CG2 4.3Å; L622-L637 HydrophobicContact CB-CB 4.43Å; L622-L637 HydrophobicContact CB-CD1 4.19Å; L622-L637 HydrophobicContact CD1-CB 4.04Å; L622-L637 HydrophobicContact CD1-CD1 4.34Å; L622-V638 HydrophobicContact CD1-CG2 3.97Å; L622-V638 HydrophobicContact CD2-CG2 3.66Å; L622-I643 HydrophobicContact CB-CD1 4.43Å; L622-I643 HydrophobicContact CD2-CD1 3.48Å; L622-I643 VanDerWaalsContact CD2-CD1 3.48Å; L622-L655 HydrophobicContact CB-CD1 4.43Å; L622-L655 HydrophobicContact CB-CD2 3.79Å; L622-L655 HydrophobicContact CD2-CD1 3.7Å; L622-L655 HydrophobicContact CD2-CD2 3.99Å; L622-L655 HydrophobicContact CD2-CG 4.37Å; L622-L655 HydrophobicContact CG-CD1 4.35Å; L622-L655 HydrophobicContact CG-CD2 3.74Å
623	H	95.4	Very high	92.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-47.8	170.6	-71.5	87.9	0	0	0	110.6	D619 T620 A625 I626 A627 F653 L655 H658	D619-H623 HydrophobicContact CB-CB 3.8Å; D619-H623 IonicContact OD1-CD2 3.38Å; D619-H623 IonicContact OD1-CG 3.39Å; T620-H623 PolarHBondContact N-ND1 3.07Å; T620-H623 VanDerWaalsContact N-ND1 3.17Å; T620-H623 WeakPolarHBondContact O-CA 3.38Å; T620-H623 VanDerWaalsContact O-CB 3.29Å; T620-H623 WeakPolarHBondContact O-CB 3.25Å; T620-H623 PolarHBondContact O-N 2.82Å; T620-H623 PolarHBondContact OG1-ND1 3.33Å; H623-A625 PolarHBondContact O-N 3.42Å; H623-I626 PolarHBondContact O-N 3.2Å; H623-A627 WeakPolarHBondContact O-CB 3.1Å; H623-A627 PolarHBondContact O-N 3.15Å; H623-F653 PolarHBondContact NE2-O 3.42Å; H623-L655 HydrophobicContact CB-CD2 4.47Å; H623-L655 VanDerWaalsContact CE1-CD2 3.47Å; H623-L655 WeakPolarHBondContact CE1-CD2 3.39Å; H623-L655 WeakPolarHBondContact ND1-CD2 3.31Å; H623-H658 AromaticContact CD2-CG 3.96Å
624	D	92.1	Very high	92.9	Very high	14 Å²	14	39.3 Å²	39.3	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-45.5	177.4	-72.3	-16.9	0	0	0	112.1	H590 V593 N594 T620 L622 I626 A627 K628	H590-D624 IonicContact CD2-OD2 2.74Å; V593-D624 HydrophobicContact CG1-CB 3.79Å; N594-D624 PolarHBondContact ND2-OD2 2.91Å; T620-D624 PolarHBondContact O-N 3.45Å; L622-D624 VanDerWaalsContact C-N 3.35Å; D624-I626 VanDerWaalsContact C-N 3.33Å; D624-I626 PolarHBondContact O-N 2.84Å; D624-A627 PolarHBondContact O-N 2.98Å; D624-K628 WeakPolarHBondContact O-CG 3.24Å; D624-K628 PolarHBondContact O-N 3.39Å
625	A	95.6	Very high	92.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-40.7	178.9	0	0	0	0	0	112.2	V593 P621 L622 H623 D629 F630 I633 I634 L637	V593-A625 HydrophobicContact CG1-CB 3.75Å; P621-A625 WeakPolarHBondContact O-CB 3.42Å; P621-A625 PolarHBondContact O-N 3.41Å; L622-A625 HydrophobicContact CD1-CB 4.34Å; L622-A625 PolarHBondContact O-N 2.95Å; H623-A625 PolarHBondContact O-N 3.42Å; A625-D629 PolarHBondContact O-N 3.4Å; A625-D629 VanDerWaalsContact O-N 3.08Å; A625-F630 PolarHBondContact O-N 3.23Å; A625-I633 HydrophobicContact CB-CB 4.35Å; A625-I633 HydrophobicContact CB-CG2 3.68Å; A625-I634 HydrophobicContact CB-CG1 3.91Å; A625-L637 HydrophobicContact CB-CD1 4.26Å
626	I	93.8	Very high	93.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-44.7	175.8	-69.3	168.1	0	0	0	110.6	L622 H623 D624 K628 D629 I634 L655 A659 K662 N664 A667 I671	L622-I626 HydrophobicContact CD1-CD1 4.27Å; L622-I626 HydrophobicContact CD1-CG1 4.15Å; L622-I626 HydrophobicContact CG-CD1 3.94Å; L622-I626 HydrophobicContact CG-CG1 4.32Å; L622-I626 WeakPolarHBondContact O-CB 3.47Å; L622-I626 WeakPolarHBondContact O-CD1 3.34Å; L622-I626 WeakPolarHBondContact O-CG1 3.48Å; L622-I626 PolarHBondContact O-N 3.16Å; H623-I626 PolarHBondContact O-N 3.2Å; D624-I626 VanDerWaalsContact C-N 3.33Å; D624-I626 PolarHBondContact O-N 2.84Å; I626-K628 VanDerWaalsContact C-N 3.28Å; I626-K628 PolarHBondContact O-N 3.45Å; I626-D629 PolarHBondContact O-N 3.43Å; I626-I634 HydrophobicContact CG1-CD1 4.46Å; I626-I634 HydrophobicContact CG1-CG1 4.43Å; I626-L655 HydrophobicContact CD1-CB 4.49Å; I626-L655 HydrophobicContact CD1-CD2 3.95Å; I626-A659 HydrophobicContact CD1-CB 4.42Å; I626-A659 HydrophobicContact CG2-CB 4.11Å; I626-K662 HydrophobicContact CG2-CB 4.42Å; I626-N664 HydrophobicContact CG2-CB 4.04Å; I626-N664 PolarHBondContact O-ND2 2.79Å; I626-A667 HydrophobicContact CD1-CB 4.08Å; I626-A667 HydrophobicContact CG1-CB 3.73Å; I626-A667 HydrophobicContact CG2-CB 4.47Å; I626-I671 HydrophobicContact CD1-CD1 4.04Å
627	A	90.1	Very high	93.3	Very high	43 Å²	43	38.6 Å²	38.6	36%	0.355	18%	0.184	S	C	.	.	H	α-helix	trans	-64.1	-31.8	-178.5	0	0	0	0	0	113.3	H623 D624	H623-A627 WeakPolarHBondContact O-CB 3.1Å; H623-A627 PolarHBondContact O-N 3.15Å; D624-A627 PolarHBondContact O-N 2.98Å
628	K	86.8	Confident	93.7	Very high	119 Å²	119	31.5 Å²	31.5	52%	0.517	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-4	178.4	-59.8	-66.7	-175.9	178.9	0	114	D624 I626 F630	D624-K628 WeakPolarHBondContact O-CG 3.24Å; D624-K628 PolarHBondContact O-N 3.39Å; I626-K628 VanDerWaalsContact C-N 3.28Å; I626-K628 PolarHBondContact O-N 3.45Å; K628-F630 VanDerWaalsContact C-N 3.31Å; K628-F630 HydrophobicContact CB-CD1 4.28Å; K628-F630 HydrophobicContact CB-CD2 3.61Å; K628-F630 HydrophobicContact CB-CE1 4.17Å; K628-F630 HydrophobicContact CB-CE2 3.47Å; K628-F630 VanDerWaalsContact CB-CE2 3.47Å; K628-F630 HydrophobicContact CB-CG 4.03Å; K628-F630 HydrophobicContact CB-CZ 3.79Å; K628-F630 HydrophobicContact CG-CD2 4.32Å; K628-F630 HydrophobicContact CG-CE2 3.87Å; K628-F630 HydrophobicContact CG-CZ 4.32Å; K628-F630 PolarHBondContact O-N 3.28Å
629	D	90.3	Very high	93.8	Very high	74 Å²	74	36.2 Å²	36.2	40%	0.396	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	40.2	-174.2	-164.3	31.2	0	0	0	114.3	A625 I626 R631 N664	A625-D629 PolarHBondContact O-N 3.4Å; A625-D629 VanDerWaalsContact O-N 3.08Å; I626-D629 PolarHBondContact O-N 3.43Å; D629-R631 VanDerWaalsContact C-N 3.34Å; D629-R631 PolarHBondContact O-N 3.25Å; D629-N664 PolarHBondContact OD1-ND2 3.45Å
630	F	91.6	Very high	93.7	Very high	64 Å²	64	37 Å²	37	28%	0.281	19%	0.19	S	C	.	.			trans	-80.7	80.9	176.9	-66.7	-33.9	0	0	0	111.4	V593 A625 K628 S632 I633 I634	V593-F630 WeakPolarHBondContact O-CD2 3.49Å; V593-F630 WeakPolarHBondContact O-CE2 3.31Å; A625-F630 PolarHBondContact O-N 3.23Å; K628-F630 VanDerWaalsContact C-N 3.31Å; K628-F630 HydrophobicContact CB-CD1 4.28Å; K628-F630 HydrophobicContact CB-CD2 3.61Å; K628-F630 HydrophobicContact CB-CE1 4.17Å; K628-F630 HydrophobicContact CB-CE2 3.47Å; K628-F630 VanDerWaalsContact CB-CE2 3.47Å; K628-F630 HydrophobicContact CB-CG 4.03Å; K628-F630 HydrophobicContact CB-CZ 3.79Å; K628-F630 HydrophobicContact CG-CD2 4.32Å; K628-F630 HydrophobicContact CG-CE2 3.87Å; K628-F630 HydrophobicContact CG-CZ 4.32Å; K628-F630 PolarHBondContact O-N 3.28Å; F630-S632 PolarHBondContact O-N 2.91Å; F630-I633 HydrophobicContact CB-CB 4Å; F630-I633 HydrophobicContact CB-CD1 4Å; F630-I633 HydrophobicContact CB-CG1 4.23Å; F630-I633 HydrophobicContact CD2-CD1 4.1Å; F630-I633 HydrophobicContact CG-CD1 4.3Å; F630-I633 WeakPolarHBondContact O-CB 3.44Å; F630-I633 PolarHBondContact O-N 3.49Å; F630-I634 WeakPolarHBondContact O-CG1 3.39Å; F630-I634 PolarHBondContact O-N 2.98Å
631	R	91.6	Very high	93.1	Very high	151 Å²	151	41.9 Å²	41.9	57%	0.57	22%	0.222	S	C	*	.	H	α-helix	trans	-45.6	-53	-176	-66.1	-169.1	159.1	142.2	-1.3	114.4	D629 I633 I634 E635 L666	D629-R631 VanDerWaalsContact C-N 3.34Å; D629-R631 PolarHBondContact O-N 3.25Å; R631-I633 VanDerWaalsContact C-N 3.26Å; R631-I633 PolarHBondContact O-N 3.11Å; R631-I634 WeakPolarHBondContact O-CB 3.39Å; R631-I634 PolarHBondContact O-N 3.18Å; R631-E635 WeakPolarHBondContact O-CG 3.49Å; R631-E635 PolarHBondContact O-N 3.03Å; R631-L666 HydrophobicContact CB-CD2 3.62Å; R631-L666 HydrophobicContact CG-CD2 3.62Å
632	S	94.9	Very high	92.5	Very high	65 Å²	65	48.3 Å²	48.3	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-34.2	-179.4	-50.5	0	0	0	0	113.1	F630 I636	F630-S632 PolarHBondContact O-N 2.91Å; S632-I636 WeakPolarHBondContact O-CD1 3.47Å; S632-I636 VanDerWaalsContact O-CG1 3.3Å; S632-I636 WeakPolarHBondContact O-CG1 3.4Å; S632-I636 PolarHBondContact O-N 2.92Å
633	I	94.5	Very high	92.3	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-76.3	-40.7	179.3	-66.3	178.6	0	0	0	110.2	V593 V601 A625 F630 R631 E635 I636 L637	V593-I633 HydrophobicContact CB-CG2 4.43Å; V593-I633 HydrophobicContact CG1-CG2 4.08Å; V593-I633 HydrophobicContact CG2-CG2 3.77Å; V601-I633 HydrophobicContact CG1-CG2 4.29Å; V601-I633 HydrophobicContact CG2-CD1 4.13Å; V601-I633 HydrophobicContact CG2-CG1 4.35Å; V601-I633 HydrophobicContact CG2-CG2 4.41Å; A625-I633 HydrophobicContact CB-CB 4.35Å; A625-I633 HydrophobicContact CB-CG2 3.68Å; F630-I633 HydrophobicContact CB-CB 4Å; F630-I633 HydrophobicContact CB-CD1 4Å; F630-I633 HydrophobicContact CB-CG1 4.23Å; F630-I633 HydrophobicContact CD2-CD1 4.1Å; F630-I633 HydrophobicContact CG-CD1 4.3Å; F630-I633 WeakPolarHBondContact O-CB 3.44Å; F630-I633 PolarHBondContact O-N 3.49Å; R631-I633 VanDerWaalsContact C-N 3.26Å; R631-I633 PolarHBondContact O-N 3.11Å; I633-E635 VanDerWaalsContact C-N 3.27Å; I633-E635 PolarHBondContact O-N 3.46Å; I633-I636 PolarHBondContact O-N 3.44Å; I633-L637 HydrophobicContact CG2-CD1 3.72Å; I633-L637 HydrophobicContact CG2-CG 4.14Å; I633-L637 WeakPolarHBondContact O-CB 3.41Å; I633-L637 WeakPolarHBondContact O-CG 3.35Å; I633-L637 PolarHBondContact O-N 2.78Å
634	I	96	Very high	92	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-46.4	172.4	-66	164.4	0	0	0	109.7	L622 A625 I626 F630 R631 I636 L637 V638 N664 A667	L622-I634 HydrophobicContact CD1-CB 4.4Å; L622-I634 HydrophobicContact CD1-CG1 4.25Å; L622-I634 HydrophobicContact CD1-CG2 4.3Å; A625-I634 HydrophobicContact CB-CG1 3.91Å; I626-I634 HydrophobicContact CG1-CD1 4.46Å; I626-I634 HydrophobicContact CG1-CG1 4.43Å; F630-I634 WeakPolarHBondContact O-CG1 3.39Å; F630-I634 PolarHBondContact O-N 2.98Å; R631-I634 WeakPolarHBondContact O-CB 3.39Å; R631-I634 PolarHBondContact O-N 3.18Å; I634-I636 VanDerWaalsContact C-N 3.32Å; I634-I636 PolarHBondContact O-N 3.42Å; I634-L637 PolarHBondContact O-N 3.23Å; I634-V638 HydrophobicContact CG2-CG2 3.99Å; I634-V638 WeakPolarHBondContact O-CB 3.5Å; I634-V638 WeakPolarHBondContact O-CG2 3.36Å; I634-V638 PolarHBondContact O-N 2.91Å; I634-N664 WeakPolarHBondContact CD1-ND2 3.39Å; I634-A667 HydrophobicContact CD1-CB 4.39Å; I634-A667 HydrophobicContact CG2-CB 4.14Å
635	E	94.4	Very high	92	Very high	89 Å²	89	51.8 Å²	51.8	42%	0.416	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-35.6	178.8	-70.8	-171	142	0	0	113.5	R631 I633 V639 L666 K670	R631-E635 WeakPolarHBondContact O-CG 3.49Å; R631-E635 PolarHBondContact O-N 3.03Å; I633-E635 VanDerWaalsContact C-N 3.27Å; I633-E635 PolarHBondContact O-N 3.46Å; E635-V639 WeakPolarHBondContact O-CG2 3.22Å; E635-L666 HydrophobicContact CG-CD2 4.4Å; E635-K670 IonicContact OE1-NZ 3.65Å; E635-K670 PolarHBondContact OE1-NZ 3.42Å
636	I	95.8	Very high	91.7	Very high	20 Å²	20	55.6 Å²	55.6	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-49.7	175.2	-67.9	164.9	0	0	0	110.9	T598 V601 T605 S632 I633 I634 V639	T598-I636 HydrophobicContact CG2-CD1 3.52Å; V601-I636 HydrophobicContact CG1-CG2 4.04Å; T605-I636 HydrophobicContact CG2-CG2 4.33Å; S632-I636 WeakPolarHBondContact O-CD1 3.47Å; S632-I636 VanDerWaalsContact O-CG1 3.3Å; S632-I636 WeakPolarHBondContact O-CG1 3.4Å; S632-I636 PolarHBondContact O-N 2.92Å; I633-I636 PolarHBondContact O-N 3.44Å; I634-I636 VanDerWaalsContact C-N 3.32Å; I634-I636 PolarHBondContact O-N 3.42Å; I636-V639 VanDerWaalsContact O-CG2 3.23Å; I636-V639 WeakPolarHBondContact O-CG2 3.41Å
637	L	96	Very high	91.5	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-70.6	-40	-172.3	-67.8	178.7	0	0	0	112.1	L589 V593 V601 T605 V611 P621 L622 A625 I633 I634 V639 V640 I643	L589-L637 HydrophobicContact CD1-CD2 4.46Å; L589-L637 HydrophobicContact CD2-CD2 4.36Å; V593-L637 HydrophobicContact CG2-CD1 4.09Å; V601-L637 HydrophobicContact CG1-CD2 4.21Å; T605-L637 HydrophobicContact CG2-CD2 3.92Å; V611-L637 HydrophobicContact CG1-CD2 3.87Å; P621-L637 HydrophobicContact CB-CD1 4.1Å; L622-L637 HydrophobicContact CB-CB 4.43Å; L622-L637 HydrophobicContact CB-CD1 4.19Å; L622-L637 HydrophobicContact CD1-CB 4.04Å; L622-L637 HydrophobicContact CD1-CD1 4.34Å; A625-L637 HydrophobicContact CB-CD1 4.26Å; I633-L637 HydrophobicContact CG2-CD1 3.72Å; I633-L637 HydrophobicContact CG2-CG 4.14Å; I633-L637 WeakPolarHBondContact O-CB 3.41Å; I633-L637 WeakPolarHBondContact O-CG 3.35Å; I633-L637 PolarHBondContact O-N 2.78Å; I634-L637 PolarHBondContact O-N 3.23Å; L637-V639 PolarHBondContact O-N 3.4Å; L637-V640 WeakPolarHBondContact O-CB 3Å; L637-V640 WeakPolarHBondContact O-CG2 3.33Å; L637-V640 PolarHBondContact O-N 3.46Å; L637-V640 VanDerWaalsContact O-N 3.15Å; L637-I643 WeakPolarHBondContact O-CD1 3.48Å
638	V	94	Very high	91.6	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.024	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-25.7	-177.6	173.4	0	0	0	0	112.6	L622 I634 F645 K670 R674	L622-V638 HydrophobicContact CD1-CG2 3.97Å; L622-V638 HydrophobicContact CD2-CG2 3.66Å; I634-V638 HydrophobicContact CG2-CG2 3.99Å; I634-V638 WeakPolarHBondContact O-CB 3.5Å; I634-V638 WeakPolarHBondContact O-CG2 3.36Å; I634-V638 PolarHBondContact O-N 2.91Å; V638-F645 HydrophobicContact CG1-CE1 4.21Å; V638-F645 HydrophobicContact CG1-CZ 4.06Å; V638-K670 HydrophobicContact CB-CB 4.48Å; V638-K670 HydrophobicContact CG1-CB 3.91Å; V638-K670 HydrophobicContact CG2-CB 4.42Å; V638-R674 VanDerWaalsContact O-CD 3.29Å; V638-R674 WeakPolarHBondContact O-CD 3.48Å; V638-R674 PolarHBondContact O-NH1 2.67Å
639	V	92.1	Very high	91.8	Very high	100 Å²	100	54 Å²	54	61%	0.606	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-5.5	179.4	-58.5	0	0	0	0	113.7	E635 I636 L637	E635-V639 WeakPolarHBondContact O-CG2 3.22Å; I636-V639 VanDerWaalsContact O-CG2 3.23Å; I636-V639 WeakPolarHBondContact O-CG2 3.41Å; L637-V639 PolarHBondContact O-N 3.4Å
640	V	90.4	Very high	91.9	Very high	25 Å²	25	56.9 Å²	56.9	15%	0.152	30%	0.295	C	S	.	.			trans	-61.1	130.4	177.1	176.9	0	0	0	0	109.5	T605 V611 L637 N642 I643 R674	T605-V640 HydrophobicContact CG2-CG2 4.23Å; V611-V640 HydrophobicContact CG1-CB 4.38Å; V611-V640 HydrophobicContact CG1-CG1 4.12Å; V611-V640 HydrophobicContact CG1-CG2 4.11Å; V611-V640 HydrophobicContact CG2-CB 4.32Å; V611-V640 HydrophobicContact CG2-CG1 4Å; L637-V640 WeakPolarHBondContact O-CB 3Å; L637-V640 WeakPolarHBondContact O-CG2 3.33Å; L637-V640 PolarHBondContact O-N 3.46Å; L637-V640 VanDerWaalsContact O-N 3.15Å; V640-N642 VanDerWaalsContact C-N 3.32Å; V640-N642 PolarHBondContact O-N 3.03Å; V640-I643 VanDerWaalsContact O-CG2 3.27Å; V640-I643 WeakPolarHBondContact O-CG2 3.48Å; V640-I643 PolarHBondContact O-N 2.91Å; V640-R674 PolarHBondContact O-NH1 3.25Å
641	P	83.9	Confident	91.6	Very high	106 Å²	106	60.4 Å²	60.4	69%	0.688	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-36.6	-173.4	-28.7	35.8	0	0	0	114.7
642	N	84.8	Confident	91.6	Very high	135 Å²	135	53.7 Å²	53.7	72%	0.722	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	15.1	-172.1	-60.3	-16.5	0	0	0	113.7	N612 V640	N612-N642 PolarHBondContact ND2-O 3.32Å; V640-N642 VanDerWaalsContact C-N 3.32Å; V640-N642 PolarHBondContact O-N 3.03Å
643	I	93.2	Very high	91.5	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.082	27%	0.269	C	S	.	.			trans	-69.1	133.7	179	-168	166.3	0	0	0	111.2	V611 L622 L637 V640 F645	V611-I643 HydrophobicContact CG2-CB 3.94Å; V611-I643 HydrophobicContact CG2-CD1 4.46Å; V611-I643 HydrophobicContact CG2-CG1 4.02Å; L622-I643 HydrophobicContact CB-CD1 4.43Å; L622-I643 HydrophobicContact CD2-CD1 3.48Å; L622-I643 VanDerWaalsContact CD2-CD1 3.48Å; L637-I643 WeakPolarHBondContact O-CD1 3.48Å; V640-I643 VanDerWaalsContact O-CG2 3.27Å; V640-I643 WeakPolarHBondContact O-CG2 3.48Å; V640-I643 PolarHBondContact O-N 2.91Å; I643-F645 HydrophobicContact CD1-CE1 4.19Å; I643-F645 HydrophobicContact CD1-CZ 4.44Å; I643-F645 HydrophobicContact CG2-CD2 4.16Å; I643-F645 HydrophobicContact CG2-CE1 4.17Å; I643-F645 HydrophobicContact CG2-CE2 3.44Å; I643-F645 VanDerWaalsContact CG2-CE2 3.44Å; I643-F645 HydrophobicContact CG2-CZ 3.43Å; I643-F645 VanDerWaalsContact CG2-CZ 3.43Å
644	D	89.1	Confident	91.5	Very high	57 Å²	57	51.9 Å²	51.9	31%	0.305	27%	0.269	S	S	.	.			trans	-100.6	108	174.8	-171.6	-8.3	0	0	0	110.3	N612 T646	N612-D644 PolarHBondContact OD1-N 3.15Å; D644-T646 VanDerWaalsContact C-N 3.28Å; D644-T646 PolarHBondContact O-N 3.24Å; D644-T646 WeakPolarHBondContact OD1-CA 3.18Å; D644-T646 WeakPolarHBondContact OD1-CB 3.23Å; D644-T646 PolarHBondContact OD1-N 3.24Å; D644-T646 PolarHBondContact OD1-OG1 3.42Å; D644-T646 PolarHBondContact OD2-OG1 2.86Å
645	F	92.5	Very high	91.5	Very high	16 Å²	16	51.9 Å²	51.9	7%	0.07	27%	0.269	C	S	.	.	S	Bend	trans	-77.9	-11.9	177.7	-62	-78.3	0	0	0	113.7	V638 I643 L655 I671 R674 A675 L678	V638-F645 HydrophobicContact CG1-CE1 4.21Å; V638-F645 HydrophobicContact CG1-CZ 4.06Å; I643-F645 HydrophobicContact CD1-CE1 4.19Å; I643-F645 HydrophobicContact CD1-CZ 4.44Å; I643-F645 HydrophobicContact CG2-CD2 4.16Å; I643-F645 HydrophobicContact CG2-CE1 4.17Å; I643-F645 HydrophobicContact CG2-CE2 3.44Å; I643-F645 VanDerWaalsContact CG2-CE2 3.44Å; I643-F645 HydrophobicContact CG2-CZ 3.43Å; I643-F645 VanDerWaalsContact CG2-CZ 3.43Å; F645-L655 HydrophobicContact CD1-CD1 4Å; F645-I671 HydrophobicContact CD1-CG1 4.13Å; F645-I671 HydrophobicContact CD1-CG2 3.95Å; F645-I671 HydrophobicContact CE1-CG1 4.01Å; F645-I671 HydrophobicContact CE1-CG2 4.4Å; F645-R674 HydrophobicContact CE2-CB 3.83Å; F645-R674 HydrophobicContact CZ-CB 3.98Å; F645-A675 HydrophobicContact CB-CB 3.8Å; F645-A675 HydrophobicContact CD1-CB 4.49Å; F645-A675 HydrophobicContact CD2-CB 3.64Å; F645-A675 HydrophobicContact CE2-CB 4.31Å; F645-A675 HydrophobicContact CG-CB 3.74Å; F645-L678 HydrophobicContact CB-CD1 3.42Å; F645-L678 VanDerWaalsContact CB-CD1 3.42Å; F645-L678 WeakPolarHBondContact O-CD1 3.3Å
646	T	89.8	Confident	91.7	Very high	79 Å²	79	47.6 Å²	47.6	49%	0.485	25%	0.249	S	C	.	.	S	Bend	trans	-86.8	-21.6	-177.3	73.4	0	0	0	0	112.9	D644 Q648 L678	D644-T646 VanDerWaalsContact C-N 3.28Å; D644-T646 PolarHBondContact O-N 3.24Å; D644-T646 WeakPolarHBondContact OD1-CA 3.18Å; D644-T646 WeakPolarHBondContact OD1-CB 3.23Å; D644-T646 PolarHBondContact OD1-N 3.24Å; D644-T646 PolarHBondContact OD1-OG1 3.42Å; D644-T646 PolarHBondContact OD2-OG1 2.86Å; T646-Q648 PolarHBondContact O-N 3.37Å; T646-L678 HydrophobicContact CG2-CD2 4.17Å
647	Q	89.6	Confident	91.7	Very high	63 Å²	63	46.7 Å²	46.7	29%	0.294	24%	0.244	S	C	.	.			trans	-57	133	-177.8	-170.1	66.3	35.3	0	0	111.3	Q614 T620 N654	Q614-Q647 HydrophobicContact CG-CG 4.48Å; T620-Q647 HydrophobicContact CG2-CG 4.23Å; Q647-N654 WeakPolarHBondContact O-CA 3.49Å
648	Q	92.4	Very high	91.8	Very high	61 Å²	61	46.8 Å²	46.8	29%	0.285	25%	0.245	S	C	.	.			trans	-110.8	142.7	-179.8	-60.9	-177.8	4.6	0	0	111.4	Q614 T646 F653 N654	Q614-Q648 PolarHBondContact NE2-O 3.42Å; T646-Q648 PolarHBondContact O-N 3.37Å; Q648-F653 VanDerWaalsContact CA-O 3.27Å; Q648-F653 WeakPolarHBondContact CA-O 3.28Å; Q648-N654 HydrophobicContact CG-CB 4.2Å
649	N	91.4	Very high	91.9	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.032	24%	0.244	C	C	.	.			trans	-73.8	176.6	170.2	70.7	7.7	0	0	0	112.9	G618 D619 R651 G652 F653	G618-N649 WeakPolarHBondContact O-CA 3.47Å; G618-N649 WeakPolarHBondContact O-CB 3.4Å; D619-N649 VanDerWaalsContact OD1-CB 3.26Å; D619-N649 WeakPolarHBondContact OD1-CB 3.47Å; D619-N649 PolarHBondContact OD1-ND2 3.08Å; N649-R651 PolarHBondContact O-N 2.94Å; N649-R651 WeakPolarHBondContact OD1-CA 3.42Å; N649-R651 WeakPolarHBondContact OD1-CB 3.34Å; N649-R651 PolarHBondContact OD1-N 3.04Å; N649-G652 PolarHBondContact O-N 3.36Å; N649-G652 PolarHBondContact OD1-N 3.48Å; N649-F653 PolarHBondContact N-O 2.78Å; N649-F653 PolarHBondContact OD1-N 2.55Å
650	H	91.1	Very high	92.2	Very high	135 Å²	135	41.9 Å²	41.9	63%	0.625	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.5	179.9	-62.8	160.1	0	0	0	113.7	S616 Y617 G618	S616-H650 PolarHBondContact O-CE1 3.09Å; S616-H650 VanDerWaalsContact O-CE1 3.22Å; S616-H650 PolarHBondContact O-ND1 2.81Å; Y617-H650 WeakPolarHBondContact O-CB 3.35Å; Y617-H650 PolarHBondContact O-N 3.43Å; Y617-H650 PolarHBondContact O-ND1 2.94Å; G618-H650 PolarHBondContact N-CE1 2.65Å; G618-H650 VanDerWaalsContact N-CE1 3.34Å; G618-H650 PolarHBondContact N-ND1 3.1Å
651	R	86.9	Confident	92.4	Very high	138 Å²	138	42.6 Å²	42.6	52%	0.521	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3	175.2	-63.1	176	-81.1	-171.4	-9.5	112.8	D619 N649 F653	D619-R651 IonicContact OD1-NH2 2.7Å; D619-R651 IonicContact OD2-NH2 2.92Å; D619-R651 PolarHBondContact OD2-NH2 2.95Å; N649-R651 PolarHBondContact O-N 2.94Å; N649-R651 WeakPolarHBondContact OD1-CA 3.42Å; N649-R651 WeakPolarHBondContact OD1-CB 3.34Å; N649-R651 PolarHBondContact OD1-N 3.04Å; R651-F653 VanDerWaalsContact C-N 3.35Å; R651-F653 HydrophobicContact CB-CD2 3.55Å; R651-F653 HydrophobicContact CB-CE2 3.77Å; R651-F653 WeakPolarHBondContact O-CD2 3.4Å; R651-F653 WeakPolarHBondContact O-CE2 3.32Å
652	G	89.9	Confident	92.9	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	21%	0.206	C	C	.	.	S	Bend	trans	76.9	14	-179.6	0	0	0	0	0	114.7	N649 K683	N649-G652 PolarHBondContact O-N 3.36Å; N649-G652 PolarHBondContact OD1-N 3.48Å; G652-K683 VanDerWaalsContact O-CB 3.23Å; G652-K683 WeakPolarHBondContact O-CB 3.48Å
653	F	93.3	Very high	93.3	Very high	25 Å²	25	37 Å²	37	11%	0.11	18%	0.184	C	C	.	.			trans	-88.7	123.2	176.7	-66.6	-97.8	0	0	0	109.3	H623 Q648 N649 R651 H657 H658 L661 K683 L692	H623-F653 PolarHBondContact NE2-O 3.42Å; Q648-F653 VanDerWaalsContact CA-O 3.27Å; Q648-F653 WeakPolarHBondContact CA-O 3.28Å; N649-F653 PolarHBondContact N-O 2.78Å; N649-F653 PolarHBondContact OD1-N 2.55Å; R651-F653 VanDerWaalsContact C-N 3.35Å; R651-F653 HydrophobicContact CB-CD2 3.55Å; R651-F653 HydrophobicContact CB-CE2 3.77Å; R651-F653 WeakPolarHBondContact O-CD2 3.4Å; R651-F653 WeakPolarHBondContact O-CE2 3.32Å; F653-H657 HydrophobicContact CB-CB 4.17Å; F653-H657 HydrophobicContact CD1-CB 3.77Å; F653-H657 HydrophobicContact CG-CB 4.41Å; F653-H658 HydrophobicContact CB-CB 4.44Å; F653-L661 HydrophobicContact CD1-CD2 4.17Å; F653-L661 HydrophobicContact CE1-CB 4.3Å; F653-L661 HydrophobicContact CE1-CD1 4.35Å; F653-L661 HydrophobicContact CE1-CD2 3.75Å; F653-L661 HydrophobicContact CE1-CG 4.36Å; F653-L661 HydrophobicContact CZ-CD2 4.02Å; F653-K683 HydrophobicContact CE1-CD 4.36Å; F653-K683 HydrophobicContact CZ-CD 4.38Å; F653-L692 HydrophobicContact CD1-CD1 4.02Å; F653-L692 HydrophobicContact CE1-CD1 3.74Å; F653-L692 HydrophobicContact CE1-CD2 4.01Å
654	N	95.2	Very high	93.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	18%	0.181	C	C	.	.			trans	-77.9	175	159.8	69.2	36.8	0	0	0	110	Q647 Q648 L656 H657 H658	Q647-N654 WeakPolarHBondContact O-CA 3.49Å; Q648-N654 HydrophobicContact CG-CB 4.2Å; N654-L656 VanDerWaalsContact C-N 3.32Å; N654-L656 PolarHBondContact O-N 3.1Å; N654-L656 PolarHBondContact OD1-N 2.95Å; N654-H657 PolarHBondContact ND2-CE1 3.41Å; N654-H657 VanDerWaalsContact ND2-CE1 3.25Å; N654-H657 PolarHBondContact ND2-ND1 3.22Å; N654-H657 WeakPolarHBondContact O-CB 3.31Å; N654-H657 PolarHBondContact O-N 2.86Å; N654-H657 VanDerWaalsContact OD1-CG 3.26Å; N654-H657 PolarHBondContact OD1-N 2.86Å; N654-H658 WeakPolarHBondContact O-CB 3.34Å; N654-H658 PolarHBondContact O-N 2.89Å
655	L	96.6	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-37.6	-176.9	-72.1	167.5	0	0	0	113.6	L622 H623 I626 F645 H658 A659 I671	L622-L655 HydrophobicContact CB-CD1 4.43Å; L622-L655 HydrophobicContact CB-CD2 3.79Å; L622-L655 HydrophobicContact CD2-CD1 3.7Å; L622-L655 HydrophobicContact CD2-CD2 3.99Å; L622-L655 HydrophobicContact CD2-CG 4.37Å; L622-L655 HydrophobicContact CG-CD1 4.35Å; L622-L655 HydrophobicContact CG-CD2 3.74Å; H623-L655 HydrophobicContact CB-CD2 4.47Å; H623-L655 VanDerWaalsContact CE1-CD2 3.47Å; H623-L655 WeakPolarHBondContact CE1-CD2 3.39Å; H623-L655 WeakPolarHBondContact ND1-CD2 3.31Å; I626-L655 HydrophobicContact CD1-CB 4.49Å; I626-L655 HydrophobicContact CD1-CD2 3.95Å; F645-L655 HydrophobicContact CD1-CD1 4Å; L655-H658 PolarHBondContact O-N 3.41Å; L655-A659 WeakPolarHBondContact O-CB 3.11Å; L655-A659 PolarHBondContact O-N 3.25Å; L655-I671 HydrophobicContact CB-CD1 3.95Å
656	L	97.3	Very high	94	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.9	-39.6	178.2	-171.4	61.9	0	0	0	111.7	N654 H658 A659 A660 T668 I671 L672 L678 A689 L705	N654-L656 VanDerWaalsContact C-N 3.32Å; N654-L656 PolarHBondContact O-N 3.1Å; N654-L656 PolarHBondContact OD1-N 2.95Å; L656-H658 VanDerWaalsContact C-N 3.29Å; L656-H658 PolarHBondContact O-N 3.15Å; L656-A659 PolarHBondContact O-N 2.95Å; L656-A660 WeakPolarHBondContact O-CB 3.33Å; L656-A660 PolarHBondContact O-N 2.99Å; L656-T668 HydrophobicContact CD1-CG2 3.94Å; L656-I671 HydrophobicContact CB-CG2 4.15Å; L656-I671 HydrophobicContact CD1-CB 4.38Å; L656-I671 HydrophobicContact CD1-CG2 4.13Å; L656-L672 HydrophobicContact CD1-CD2 4.34Å; L656-L672 HydrophobicContact CD1-CG 4.29Å; L656-L672 HydrophobicContact CD2-CD2 3.89Å; L656-L678 HydrophobicContact CD2-CB 3.93Å; L656-A689 HydrophobicContact CD2-CB 4.23Å; L656-A689 HydrophobicContact CG-CB 3.96Å; L656-L705 HydrophobicContact CD1-CD2 4.18Å; L656-L705 HydrophobicContact CD2-CD2 4.27Å; L656-L705 HydrophobicContact CG-CD2 4.38Å
657	H	97	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-42.2	171.2	-65.6	160.6	0	0	0	110.9	F653 N654 A660 L661 V681 A689 L692	F653-H657 HydrophobicContact CB-CB 4.17Å; F653-H657 HydrophobicContact CD1-CB 3.77Å; F653-H657 HydrophobicContact CG-CB 4.41Å; N654-H657 PolarHBondContact ND2-CE1 3.41Å; N654-H657 VanDerWaalsContact ND2-CE1 3.25Å; N654-H657 PolarHBondContact ND2-ND1 3.22Å; N654-H657 WeakPolarHBondContact O-CB 3.31Å; N654-H657 PolarHBondContact O-N 2.86Å; N654-H657 VanDerWaalsContact OD1-CG 3.26Å; N654-H657 PolarHBondContact OD1-N 2.86Å; H657-A660 PolarHBondContact O-N 2.84Å; H657-L661 VanDerWaalsContact O-CB 3.3Å; H657-L661 WeakPolarHBondContact O-CB 2.91Å; H657-L661 PolarHBondContact O-N 3.24Å; H657-V681 PolarHBondContact NE2-O 3.34Å; H657-A689 PolarHBondContact CD2-N 2.79Å; H657-L692 HydrophobicContact CB-CD1 3.67Å; H657-L692 WeakPolarHBondContact O-CD1 3.21Å
658	H	96.5	Very high	94.7	Very high	4 Å²	4	32 Å²	32	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-68.1	-42.8	178.8	-153.8	81.6	0	0	0	111.8	H623 F653 N654 L655 L656 A660 L661 K662	H623-H658 AromaticContact CD2-CG 3.96Å; F653-H658 HydrophobicContact CB-CB 4.44Å; N654-H658 WeakPolarHBondContact O-CB 3.34Å; N654-H658 PolarHBondContact O-N 2.89Å; L655-H658 PolarHBondContact O-N 3.41Å; L656-H658 VanDerWaalsContact C-N 3.29Å; L656-H658 PolarHBondContact O-N 3.15Å; H658-A660 VanDerWaalsContact C-N 3.33Å; H658-A660 PolarHBondContact O-N 2.77Å; H658-L661 PolarHBondContact O-N 3.13Å; H658-K662 WeakPolarHBondContact NE2-CE 3.35Å; H658-K662 WeakPolarHBondContact O-CB 3.35Å; H658-K662 VanDerWaalsContact O-CG 3.3Å; H658-K662 WeakPolarHBondContact O-CG 3.17Å; H658-K662 PolarHBondContact O-N 2.84Å
659	A	97.3	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-44.4	173.9	0	0	0	0	0	111.7	I626 L655 L656 K662 G663 N664 A667 I671	I626-A659 HydrophobicContact CD1-CB 4.42Å; I626-A659 HydrophobicContact CG2-CB 4.11Å; L655-A659 WeakPolarHBondContact O-CB 3.11Å; L655-A659 PolarHBondContact O-N 3.25Å; L656-A659 PolarHBondContact O-N 2.95Å; A659-K662 PolarHBondContact O-N 2.76Å; A659-G663 PolarHBondContact O-N 2.87Å; A659-N664 PolarHBondContact O-N 3.38Å; A659-A667 HydrophobicContact CB-CB 3.91Å; A659-I671 HydrophobicContact CB-CD1 4.34Å
660	A	97.1	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-37.9	176.3	0	0	0	0	0	113.3	L656 H657 H658 K662 A689 L692 A693 H698 V701 L705	L656-A660 WeakPolarHBondContact O-CB 3.33Å; L656-A660 PolarHBondContact O-N 2.99Å; H657-A660 PolarHBondContact O-N 2.84Å; H658-A660 VanDerWaalsContact C-N 3.33Å; H658-A660 PolarHBondContact O-N 2.77Å; A660-K662 VanDerWaalsContact C-N 3.34Å; A660-A689 HydrophobicContact CB-CB 3.96Å; A660-A689 VanDerWaalsContact CB-O 3.3Å; A660-A689 WeakPolarHBondContact CB-O 3.5Å; A660-L692 HydrophobicContact CB-CB 4.22Å; A660-A693 HydrophobicContact CB-CB 4.43Å; A660-H698 PolarHBondContact O-CD2 2.78Å; A660-V701 HydrophobicContact CB-CG1 4.2Å; A660-L705 HydrophobicContact CB-CD1 4.45Å
661	L	95.5	Very high	95.3	Very high	41 Å²	41	29.1 Å²	29.1	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-40.1	174.2	179.5	70.7	0	0	0	111.8	F653 H657 H658 L692 H698	F653-L661 HydrophobicContact CD1-CD2 4.17Å; F653-L661 HydrophobicContact CE1-CB 4.3Å; F653-L661 HydrophobicContact CE1-CD1 4.35Å; F653-L661 HydrophobicContact CE1-CD2 3.75Å; F653-L661 HydrophobicContact CE1-CG 4.36Å; F653-L661 HydrophobicContact CZ-CD2 4.02Å; H657-L661 VanDerWaalsContact O-CB 3.3Å; H657-L661 WeakPolarHBondContact O-CB 2.91Å; H657-L661 PolarHBondContact O-N 3.24Å; H658-L661 PolarHBondContact O-N 3.13Å; L661-L692 HydrophobicContact CD1-CD2 4.47Å; L661-H698 PolarHBondContact O-NE2 3.4Å
662	K	94	Very high	95.5	Very high	99 Å²	99	23 Å²	23	43%	0.43	12%	0.115	S	C	.	.	H	α-helix	trans	-87.3	-9.6	-176	-63.8	-63.5	-178.3	-178.4	0	114.4	I626 H658 A659 A660 N664	I626-K662 HydrophobicContact CG2-CB 4.42Å; H658-K662 WeakPolarHBondContact NE2-CE 3.35Å; H658-K662 WeakPolarHBondContact O-CB 3.35Å; H658-K662 VanDerWaalsContact O-CG 3.3Å; H658-K662 WeakPolarHBondContact O-CG 3.17Å; H658-K662 PolarHBondContact O-N 2.84Å; A659-K662 PolarHBondContact O-N 2.76Å; A660-K662 VanDerWaalsContact C-N 3.34Å; K662-N664 VanDerWaalsContact C-N 3.32Å
663	G	94.4	Very high	95.4	Very high	25 Å²	25	25.2 Å²	25.2	26%	0.258	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	22.1	-176.8	0	0	0	0	0	113.5	A659 K665 H698	A659-G663 PolarHBondContact O-N 2.87Å; G663-K665 PolarHBondContact O-N 3.39Å; G663-K665 VanDerWaalsContact O-N 3.08Å; G663-H698 VanDerWaalsContact CA-ND1 3.31Å; G663-H698 WeakPolarHBondContact CA-ND1 3.47Å; G663-H698 PolarHBondContact N-CD2 3.14Å; G663-H698 PolarHBondContact N-NE2 3.1Å
664	N	96.1	Very high	95.1	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	15%	0.153	C	C	.	.			trans	-82.4	92.2	-176.2	-162.4	-47.2	0	0	0	110.8	I626 D629 I634 A659 K662 L666 A667 T668	I626-N664 HydrophobicContact CG2-CB 4.04Å; I626-N664 PolarHBondContact O-ND2 2.79Å; D629-N664 PolarHBondContact OD1-ND2 3.45Å; I634-N664 WeakPolarHBondContact CD1-ND2 3.39Å; A659-N664 PolarHBondContact O-N 3.38Å; K662-N664 VanDerWaalsContact C-N 3.32Å; N664-L666 PolarHBondContact OD1-N 3.22Å; N664-A667 HydrophobicContact CB-CB 3.97Å; N664-A667 PolarHBondContact O-N 3.03Å; N664-A667 WeakPolarHBondContact OD1-CB 3.41Å; N664-A667 PolarHBondContact OD1-N 3.34Å; N664-T668 PolarHBondContact O-N 2.94Å; N664-T668 PolarHBondContact O-OG1 3.37Å
665	K	96.2	Very high	94.6	Very high	92 Å²	92	29.5 Å²	29.5	40%	0.4	15%	0.153	S	C	.	.	H	α-helix	trans	-56.8	-49	178.1	-179.7	-178.9	174.7	168.8	0	112.4	G663 A667 T668 E669 D700 V701 V704	G663-K665 PolarHBondContact O-N 3.39Å; G663-K665 VanDerWaalsContact O-N 3.08Å; K665-A667 PolarHBondContact O-N 3.3Å; K665-T668 WeakPolarHBondContact O-CB 3.3Å; K665-T668 PolarHBondContact O-N 3.09Å; K665-T668 VanDerWaalsContact O-N 3.12Å; K665-E669 WeakPolarHBondContact CE-OE1 3.28Å; K665-E669 HydrophobicContact CG-CG 4.43Å; K665-E669 IonicContact NZ-OE1 3.23Å; K665-E669 WeakPolarHBondContact O-CG 3.35Å; K665-E669 PolarHBondContact O-N 3.44Å; K665-D700 HydrophobicContact CD-CB 4.14Å; K665-V701 HydrophobicContact CB-CG2 4.43Å; K665-V704 HydrophobicContact CG-CG2 4.16Å
666	L	96.3	Very high	94.1	Very high	26 Å²	26	35.3 Å²	35.3	14%	0.136	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-48.7	-177.9	177.4	68.8	0	0	0	111.2	R631 E635 N664 T668 E669 K670	R631-L666 HydrophobicContact CB-CD2 3.62Å; R631-L666 HydrophobicContact CG-CD2 3.62Å; E635-L666 HydrophobicContact CG-CD2 4.4Å; N664-L666 PolarHBondContact OD1-N 3.22Å; L666-T668 VanDerWaalsContact C-N 3.28Å; L666-T668 PolarHBondContact O-N 3.35Å; L666-E669 PolarHBondContact O-N 3.22Å; L666-K670 HydrophobicContact CD1-CG 4.03Å; L666-K670 HydrophobicContact CG-CG 4.31Å; L666-K670 WeakPolarHBondContact O-CB 3.11Å; L666-K670 WeakPolarHBondContact O-CG 3.47Å; L666-K670 PolarHBondContact O-N 3.12Å
667	A	96.3	Very high	93.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-41.5	177	0	0	0	0	0	111.3	I626 I634 A659 N664 K665 K670 I671	I626-A667 HydrophobicContact CD1-CB 4.08Å; I626-A667 HydrophobicContact CG1-CB 3.73Å; I626-A667 HydrophobicContact CG2-CB 4.47Å; I634-A667 HydrophobicContact CD1-CB 4.39Å; I634-A667 HydrophobicContact CG2-CB 4.14Å; A659-A667 HydrophobicContact CB-CB 3.91Å; N664-A667 HydrophobicContact CB-CB 3.97Å; N664-A667 PolarHBondContact O-N 3.03Å; N664-A667 WeakPolarHBondContact OD1-CB 3.41Å; N664-A667 PolarHBondContact OD1-N 3.34Å; K665-A667 PolarHBondContact O-N 3.3Å; A667-K670 PolarHBondContact O-N 2.77Å; A667-I671 HydrophobicContact CB-CD1 4.36Å; A667-I671 VanDerWaalsContact O-CB 3.24Å; A667-I671 WeakPolarHBondContact O-CB 2.82Å; A667-I671 WeakPolarHBondContact O-CD1 3.26Å; A667-I671 WeakPolarHBondContact O-CG1 3.36Å; A667-I671 PolarHBondContact O-N 2.98Å
668	T	97.7	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-52.6	177.4	-54.6	0	0	0	0	111.2	L656 N664 K665 L666 K670 I671 L672 V701 V704 L705	L656-T668 HydrophobicContact CD1-CG2 3.94Å; N664-T668 PolarHBondContact O-N 2.94Å; N664-T668 PolarHBondContact O-OG1 3.37Å; K665-T668 WeakPolarHBondContact O-CB 3.3Å; K665-T668 PolarHBondContact O-N 3.09Å; K665-T668 VanDerWaalsContact O-N 3.12Å; L666-T668 VanDerWaalsContact C-N 3.28Å; L666-T668 PolarHBondContact O-N 3.35Å; T668-K670 PolarHBondContact O-N 3.47Å; T668-I671 PolarHBondContact O-N 2.77Å; T668-L672 HydrophobicContact CG2-CD1 3.91Å; T668-L672 HydrophobicContact CG2-CG 4.42Å; T668-L672 WeakPolarHBondContact O-CB 3.19Å; T668-L672 VanDerWaalsContact O-CG 3.25Å; T668-L672 WeakPolarHBondContact O-CG 3.47Å; T668-L672 PolarHBondContact O-N 3.04Å; T668-V701 HydrophobicContact CG2-CG1 3.95Å; T668-V701 WeakPolarHBondContact OG1-CG1 3.39Å; T668-V704 HydrophobicContact CG2-CB 4.39Å; T668-V704 HydrophobicContact CG2-CG1 3.76Å; T668-L705 HydrophobicContact CG2-CD2 3.93Å; T668-L705 HydrophobicContact CG2-CG 4.05Å
669	E	96.5	Very high	92.7	Very high	57 Å²	57	41.9 Å²	41.9	27%	0.266	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-48.3	178.3	-68.6	172.6	170.3	0	0	111.5	K665 L666 L672 G673 V704	K665-E669 WeakPolarHBondContact CE-OE1 3.28Å; K665-E669 HydrophobicContact CG-CG 4.43Å; K665-E669 IonicContact NZ-OE1 3.23Å; K665-E669 WeakPolarHBondContact O-CG 3.35Å; K665-E669 PolarHBondContact O-N 3.44Å; L666-E669 PolarHBondContact O-N 3.22Å; E669-L672 PolarHBondContact O-N 3.08Å; E669-G673 PolarHBondContact O-N 2.76Å; E669-V704 HydrophobicContact CG-CG1 3.74Å; E669-V704 HydrophobicContact CG-CG2 3.92Å
670	K	95.8	Very high	92.4	Very high	84 Å²	84	44.6 Å²	44.6	37%	0.365	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-40.2	-177.5	-62.8	-73.5	-174.1	174.1	0	112	E635 V638 L666 A667 T668	E635-K670 IonicContact OE1-NZ 3.65Å; E635-K670 PolarHBondContact OE1-NZ 3.42Å; V638-K670 HydrophobicContact CB-CB 4.48Å; V638-K670 HydrophobicContact CG1-CB 3.91Å; V638-K670 HydrophobicContact CG2-CB 4.42Å; L666-K670 HydrophobicContact CD1-CG 4.03Å; L666-K670 HydrophobicContact CG-CG 4.31Å; L666-K670 WeakPolarHBondContact O-CB 3.11Å; L666-K670 WeakPolarHBondContact O-CG 3.47Å; L666-K670 PolarHBondContact O-N 3.12Å; A667-K670 PolarHBondContact O-N 2.77Å; T668-K670 PolarHBondContact O-N 3.47Å
671	I	95	Very high	92	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-47.6	176.2	-68.3	164	0	0	0	109.8	I626 F645 L655 L656 A659 A667 T668 G673 R674 A675	I626-I671 HydrophobicContact CD1-CD1 4.04Å; F645-I671 HydrophobicContact CD1-CG1 4.13Å; F645-I671 HydrophobicContact CD1-CG2 3.95Å; F645-I671 HydrophobicContact CE1-CG1 4.01Å; F645-I671 HydrophobicContact CE1-CG2 4.4Å; L655-I671 HydrophobicContact CB-CD1 3.95Å; L656-I671 HydrophobicContact CB-CG2 4.15Å; L656-I671 HydrophobicContact CD1-CB 4.38Å; L656-I671 HydrophobicContact CD1-CG2 4.13Å; A659-I671 HydrophobicContact CB-CD1 4.34Å; A667-I671 HydrophobicContact CB-CD1 4.36Å; A667-I671 VanDerWaalsContact O-CB 3.24Å; A667-I671 WeakPolarHBondContact O-CB 2.82Å; A667-I671 WeakPolarHBondContact O-CD1 3.26Å; A667-I671 WeakPolarHBondContact O-CG1 3.36Å; A667-I671 PolarHBondContact O-N 2.98Å; T668-I671 PolarHBondContact O-N 2.77Å; I671-G673 VanDerWaalsContact C-N 3.28Å; I671-G673 PolarHBondContact O-N 3.34Å; I671-R674 PolarHBondContact O-N 3.15Å; I671-A675 HydrophobicContact CG2-CB 4.45Å; I671-A675 WeakPolarHBondContact O-CA 3.46Å; I671-A675 PolarHBondContact O-N 2.87Å
672	L	90.9	Very high	91.8	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-36.5	178.8	-71.7	174.4	0	0	0	112.6	L656 T668 E669 R674 R676 V679 V704 L705	L656-L672 HydrophobicContact CD1-CD2 4.34Å; L656-L672 HydrophobicContact CD1-CG 4.29Å; L656-L672 HydrophobicContact CD2-CD2 3.89Å; T668-L672 HydrophobicContact CG2-CD1 3.91Å; T668-L672 HydrophobicContact CG2-CG 4.42Å; T668-L672 WeakPolarHBondContact O-CB 3.19Å; T668-L672 VanDerWaalsContact O-CG 3.25Å; T668-L672 WeakPolarHBondContact O-CG 3.47Å; T668-L672 PolarHBondContact O-N 3.04Å; E669-L672 PolarHBondContact O-N 3.08Å; L672-R674 PolarHBondContact O-N 3.29Å; L672-R676 WeakPolarHBondContact O-CB 3.25Å; L672-R676 PolarHBondContact O-N 3.42Å; L672-R676 VanDerWaalsContact O-N 3.16Å; L672-V679 HydrophobicContact CD2-CB 4Å; L672-V679 HydrophobicContact CD2-CG2 3.91Å; L672-V704 HydrophobicContact CD1-CG1 3.77Å; L672-L705 HydrophobicContact CD1-CD2 4.29Å
673	G	89.4	Confident	91.6	Very high	57 Å²	57	46 Å²	46	59%	0.588	23%	0.229	S	C	*	.	H	α-helix	trans	-60.3	-23.8	175.1	0	0	0	0	0	114.3	E669 I671	E669-G673 PolarHBondContact O-N 2.76Å; I671-G673 VanDerWaalsContact C-N 3.28Å; I671-G673 PolarHBondContact O-N 3.34Å
674	R	87.2	Confident	91.3	Very high	117 Å²	117	52.3 Å²	52.3	44%	0.442	25%	0.252	S	S	.	.	H	α-helix	trans	-110.8	-27	178.1	-66.2	-160	67.5	-163.6	-4	114.6	V638 V640 F645 I671 L672	V638-R674 VanDerWaalsContact O-CD 3.29Å; V638-R674 WeakPolarHBondContact O-CD 3.48Å; V638-R674 PolarHBondContact O-NH1 2.67Å; V640-R674 PolarHBondContact O-NH1 3.25Å; F645-R674 HydrophobicContact CE2-CB 3.83Å; F645-R674 HydrophobicContact CZ-CB 3.98Å; I671-R674 PolarHBondContact O-N 3.15Å; L672-R674 PolarHBondContact O-N 3.29Å
675	A	82.9	Confident	90.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-141.2	47.7	-169.2	0	0	0	0	0	112.4	F645 I671 Q677 L678	F645-A675 HydrophobicContact CB-CB 3.8Å; F645-A675 HydrophobicContact CD1-CB 4.49Å; F645-A675 HydrophobicContact CD2-CB 3.64Å; F645-A675 HydrophobicContact CE2-CB 4.31Å; F645-A675 HydrophobicContact CG-CB 3.74Å; I671-A675 HydrophobicContact CG2-CB 4.45Å; I671-A675 WeakPolarHBondContact O-CA 3.46Å; I671-A675 PolarHBondContact O-N 2.87Å; A675-Q677 VanDerWaalsContact CA-OE1 3.29Å; A675-Q677 PolarHBondContact O-N 2.99Å; A675-L678 HydrophobicContact CB-CD1 3.89Å; A675-L678 HydrophobicContact CB-CG 4.26Å; A675-L678 WeakPolarHBondContact O-CB 3.24Å; A675-L678 PolarHBondContact O-N 3.21Å; A675-L678 VanDerWaalsContact O-N 3.07Å
676	R	87.7	Confident	90.6	Very high	122 Å²	122	50.9 Å²	50.9	46%	0.46	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-52.9	-29.4	179.5	-162.2	-169.8	65.6	73.8	3.9	114	L672 L678 V679 G709	L672-R676 WeakPolarHBondContact O-CB 3.25Å; L672-R676 PolarHBondContact O-N 3.42Å; L672-R676 VanDerWaalsContact O-N 3.16Å; R676-L678 PolarHBondContact O-N 3.32Å; R676-L678 VanDerWaalsContact O-N 3.07Å; R676-V679 WeakPolarHBondContact O-CB 3.2Å; R676-V679 WeakPolarHBondContact O-CG1 3.3Å; R676-V679 PolarHBondContact O-N 3.19Å; R676-V679 VanDerWaalsContact O-N 3.15Å; R676-G709 PolarHBondContact NH1-O 3.21Å
677	Q	83.9	Confident	90.6	Very high	132 Å²	132	51 Å²	51	62%	0.617	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-60.3	-16.4	178.7	71.2	-79.9	7.8	0	0	114.2	A675 V679	A675-Q677 VanDerWaalsContact CA-OE1 3.29Å; A675-Q677 PolarHBondContact O-N 2.99Å; Q677-V679 VanDerWaalsContact C-N 3.29Å
678	L	86.3	Confident	90.6	Very high	7 Å²	7	51 Å²	51	4%	0.037	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-78.4	-12.4	178.3	-66	-179.9	0	0	0	114.1	F645 T646 L656 A675 R676 D680 V681	F645-L678 HydrophobicContact CB-CD1 3.42Å; F645-L678 VanDerWaalsContact CB-CD1 3.42Å; F645-L678 WeakPolarHBondContact O-CD1 3.3Å; T646-L678 HydrophobicContact CG2-CD2 4.17Å; L656-L678 HydrophobicContact CD2-CB 3.93Å; A675-L678 HydrophobicContact CB-CD1 3.89Å; A675-L678 HydrophobicContact CB-CG 4.26Å; A675-L678 WeakPolarHBondContact O-CB 3.24Å; A675-L678 PolarHBondContact O-N 3.21Å; A675-L678 VanDerWaalsContact O-N 3.07Å; R676-L678 PolarHBondContact O-N 3.32Å; R676-L678 VanDerWaalsContact O-N 3.07Å; L678-D680 VanDerWaalsContact C-N 3.27Å; L678-D680 PolarHBondContact O-N 3.2Å; L678-V681 HydrophobicContact CD2-CG2 4.09Å; L678-V681 WeakPolarHBondContact O-CB 3.48Å; L678-V681 PolarHBondContact O-N 3.46Å; L678-V681 VanDerWaalsContact O-N 3.11Å
679	V	90.6	Very high	90.6	Very high	3 Å²	3	51 Å²	51	2%	0.018	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-36.9	-166.6	75.6	0	0	0	0	113.7	L672 R676 Q677 L705 C711	L672-V679 HydrophobicContact CD2-CB 4Å; L672-V679 HydrophobicContact CD2-CG2 3.91Å; R676-V679 WeakPolarHBondContact O-CB 3.2Å; R676-V679 WeakPolarHBondContact O-CG1 3.3Å; R676-V679 PolarHBondContact O-N 3.19Å; R676-V679 VanDerWaalsContact O-N 3.15Å; Q677-V679 VanDerWaalsContact C-N 3.29Å; V679-L705 HydrophobicContact CG2-CD2 3.87Å; V679-C711 HydrophobicContact CB-CB 4.49Å; V679-C711 HydrophobicContact CG1-CB 4.24Å; V679-C711 HydrophobicContact CG2-CB 3.59Å
680	D	90.7	Very high	90.6	Very high	57 Å²	57	48.4 Å²	48.4	31%	0.305	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	6.6	-179.2	-65.3	-40.7	0	0	0	113.4	L678 K682 C711 D712 I715	L678-D680 VanDerWaalsContact C-N 3.27Å; L678-D680 PolarHBondContact O-N 3.2Å; D680-K682 PolarHBondContact O-N 2.97Å; D680-C711 WeakPolarHBondContact OD1-CA 3.11Å; D680-C711 WeakPolarHBondContact OD1-CB 3.3Å; D680-D712 PolarHBondContact OD1-N 2.86Å; D680-D712 PolarHBondContact OD2-N 3.46Å; D680-I715 HydrophobicContact CB-CD1 3.93Å; D680-I715 WeakPolarHBondContact O-CD1 3.43Å
681	V	89.3	Confident	90.7	Very high	51 Å²	51	44.4 Å²	44.4	31%	0.309	22%	0.219	S	C	.	.			trans	-63.2	138	174.8	173.8	0	0	0	0	108.6	H657 L678 S688	H657-V681 PolarHBondContact NE2-O 3.34Å; L678-V681 HydrophobicContact CD2-CG2 4.09Å; L678-V681 WeakPolarHBondContact O-CB 3.48Å; L678-V681 PolarHBondContact O-N 3.46Å; L678-V681 VanDerWaalsContact O-N 3.11Å; V681-S688 WeakPolarHBondContact O-CA 3.41Å
682	K	91.6	Very high	90.9	Very high	97 Å²	97	44.7 Å²	44.7	42%	0.422	22%	0.22	S	C	.	.			trans	-105.4	142.2	177.3	-63.9	176.4	-172.4	177.3	0	109.4	D680 G686 F687 I715 R716	D680-K682 PolarHBondContact O-N 2.97Å; K682-G686 WeakPolarHBondContact CD-O 3.46Å; K682-G686 WeakPolarHBondContact CG-O 3.34Å; K682-F687 WeakPolarHBondContact CA-O 3.46Å; K682-I715 VanDerWaalsContact CE-CG1 3.46Å; K682-I715 HydrophobicContact CG-CD1 4.38Å; K682-R716 WeakPolarHBondContact CE-O 3.44Å; K682-R716 PolarHBondContact NZ-O 3.28Å
683	K	88.8	Confident	91.2	Very high	21 Å²	21	44.2 Å²	44.2	9%	0.091	22%	0.218	C	C	.	.			trans	-80.6	178.4	166.5	79	-179.1	-156.6	-68.8	0	111	G652 F653 D685 G686 F687	G652-K683 VanDerWaalsContact O-CB 3.23Å; G652-K683 WeakPolarHBondContact O-CB 3.48Å; F653-K683 HydrophobicContact CE1-CD 4.36Å; F653-K683 HydrophobicContact CZ-CD 4.38Å; K683-D685 VanDerWaalsContact CE-CG 3.47Å; K683-D685 WeakPolarHBondContact CE-OD1 3.46Å; K683-D685 VanDerWaalsContact CE-OD2 3.23Å; K683-D685 WeakPolarHBondContact CE-OD2 3.26Å; K683-D685 WeakPolarHBondContact CG-OD1 3.3Å; K683-D685 IonicContact NZ-OD1 3.27Å; K683-D685 PolarHBondContact NZ-OD1 3.07Å; K683-D685 IonicContact NZ-OD2 2.79Å; K683-D685 PolarHBondContact NZ-OD2 3.46Å; K683-D685 PolarHBondContact O-N 2.85Å; K683-D685 VanDerWaalsContact O-N 3.1Å; K683-G686 WeakPolarHBondContact O-CA 3.33Å; K683-G686 PolarHBondContact O-N 3.45Å; K683-F687 HydrophobicContact CG-CB 4.4Å; K683-F687 PolarHBondContact N-O 3.44Å
684	E	88.8	Confident	91.5	Very high	158 Å²	158	41.5 Å²	41.5	74%	0.738	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-34.8	-174.4	-62.3	-57.9	140.3	0	0	115	G686 N718	E684-G686 VanDerWaalsContact C-N 3.27Å; E684-G686 PolarHBondContact O-N 2.94Å; E684-N718 PolarHBondContact O-ND2 3.4Å; E684-N718 VanDerWaalsContact O-ND2 3.09Å
685	D	85.7	Confident	91.9	Very high	68 Å²	68	38.4 Å²	38.4	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	7.8	177.2	68.5	-0.8	0	0	0	114.2	K683 F687 N718	K683-D685 VanDerWaalsContact CE-CG 3.47Å; K683-D685 WeakPolarHBondContact CE-OD1 3.46Å; K683-D685 VanDerWaalsContact CE-OD2 3.23Å; K683-D685 WeakPolarHBondContact CE-OD2 3.26Å; K683-D685 WeakPolarHBondContact CG-OD1 3.3Å; K683-D685 IonicContact NZ-OD1 3.27Å; K683-D685 PolarHBondContact NZ-OD1 3.07Å; K683-D685 IonicContact NZ-OD2 2.79Å; K683-D685 PolarHBondContact NZ-OD2 3.46Å; K683-D685 PolarHBondContact O-N 2.85Å; K683-D685 VanDerWaalsContact O-N 3.1Å; D685-F687 HydrophobicContact CB-CD2 4.37Å; D685-F687 VanDerWaalsContact CG-CD2 3.45Å; D685-F687 WeakPolarHBondContact OD1-CB 3.16Å; D685-F687 VanDerWaalsContact OD1-CD2 3.26Å; D685-F687 WeakPolarHBondContact OD1-CD2 3.21Å; D685-F687 PolarHBondContact OD1-N 3.31Å; D685-N718 VanDerWaalsContact C-ND2 3.26Å
686	G	90.9	Very high	92.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.01	20%	0.198	C	C	.	.	S	Bend	trans	85.6	-1	177.5	0	0	0	0	0	115	K682 K683 E684 N717 N718	K682-G686 WeakPolarHBondContact CD-O 3.46Å; K682-G686 WeakPolarHBondContact CG-O 3.34Å; K683-G686 WeakPolarHBondContact O-CA 3.33Å; K683-G686 PolarHBondContact O-N 3.45Å; E684-G686 VanDerWaalsContact C-N 3.27Å; E684-G686 PolarHBondContact O-N 2.94Å; G686-N717 VanDerWaalsContact O-CA 3.3Å; G686-N717 WeakPolarHBondContact O-CA 3.3Å; G686-N717 WeakPolarHBondContact O-CB 3.49Å; G686-N718 VanDerWaalsContact CA-OD1 3.22Å; G686-N718 WeakPolarHBondContact CA-OD1 3.37Å; G686-N718 PolarHBondContact N-ND2 2.97Å
687	F	95.7	Very high	92.6	Very high	29 Å²	29	39.3 Å²	39.3	13%	0.127	20%	0.196	C	C	.	.			trans	-76.4	131.9	-179.9	-78.1	-114.3	0	0	0	111.6	K682 K683 D685 H691 L692 L695 N717 L726	K682-F687 WeakPolarHBondContact CA-O 3.46Å; K683-F687 HydrophobicContact CG-CB 4.4Å; K683-F687 PolarHBondContact N-O 3.44Å; D685-F687 HydrophobicContact CB-CD2 4.37Å; D685-F687 VanDerWaalsContact CG-CD2 3.45Å; D685-F687 WeakPolarHBondContact OD1-CB 3.16Å; D685-F687 VanDerWaalsContact OD1-CD2 3.26Å; D685-F687 WeakPolarHBondContact OD1-CD2 3.21Å; D685-F687 PolarHBondContact OD1-N 3.31Å; F687-H691 HydrophobicContact CB-CB 4.26Å; F687-H691 HydrophobicContact CD1-CB 3.52Å; F687-H691 HydrophobicContact CE1-CB 4.2Å; F687-H691 HydrophobicContact CG-CB 4.18Å; F687-L692 HydrophobicContact CB-CD2 4.34Å; F687-L692 HydrophobicContact CB-CG 4.44Å; F687-L692 HydrophobicContact CD1-CD2 4.04Å; F687-L695 HydrophobicContact CE1-CD2 4.27Å; F687-N717 HydrophobicContact CD2-CB 4.16Å; F687-N717 HydrophobicContact CE2-CB 4.32Å; F687-N717 VanDerWaalsContact CE2-ND2 3.34Å; F687-N717 WeakPolarHBondContact CE2-ND2 3.47Å; F687-N717 WeakPolarHBondContact CZ-ND2 3.43Å; F687-L726 HydrophobicContact CD1-CD1 4.24Å; F687-L726 HydrophobicContact CE1-CD1 3.55Å; F687-L726 HydrophobicContact CZ-CD1 4.24Å
688	S	96.8	Very high	93.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.			trans	-93.9	173.9	166	70	0	0	0	0	111.7	V681 L690 H691 L692	V681-S688 WeakPolarHBondContact O-CA 3.41Å; S688-L690 VanDerWaalsContact C-N 3.27Å; S688-L690 PolarHBondContact O-N 3.18Å; S688-H691 PolarHBondContact N-ND1 2.59Å; S688-H691 WeakPolarHBondContact O-CB 3.42Å; S688-H691 PolarHBondContact O-N 2.76Å; S688-H691 PolarHBondContact OG-ND1 3.24Å; S688-L692 PolarHBondContact O-N 2.93Å
689	A	97.6	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56	-41.1	175.5	0	0	0	0	0	112.4	L656 H657 A660 H691 L692 A693 L705	L656-A689 HydrophobicContact CD2-CB 4.23Å; L656-A689 HydrophobicContact CG-CB 3.96Å; H657-A689 PolarHBondContact CD2-N 2.79Å; A660-A689 HydrophobicContact CB-CB 3.96Å; A660-A689 VanDerWaalsContact CB-O 3.3Å; A660-A689 WeakPolarHBondContact CB-O 3.5Å; A689-H691 PolarHBondContact O-N 3.18Å; A689-L692 PolarHBondContact O-N 2.97Å; A689-A693 PolarHBondContact O-N 3.31Å; A689-L705 HydrophobicContact CB-CD1 3.97Å; A689-L705 HydrophobicContact CB-CD2 3.88Å
690	L	98.1	Very high	93.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-37.8	179.4	-174.6	61.6	0	0	0	112.1	S688 L692 A693 A694 A702 L705 I706 P723 L739	S688-L690 VanDerWaalsContact C-N 3.27Å; S688-L690 PolarHBondContact O-N 3.18Å; L690-L692 VanDerWaalsContact C-N 3.32Å; L690-L692 PolarHBondContact O-N 3.03Å; L690-A693 PolarHBondContact O-N 3.46Å; L690-A694 WeakPolarHBondContact O-CB 3.36Å; L690-A694 PolarHBondContact O-N 3.13Å; L690-A702 HydrophobicContact CD1-CB 3.86Å; L690-L705 HydrophobicContact CB-CD1 4.42Å; L690-L705 HydrophobicContact CD1-CB 4.47Å; L690-L705 HydrophobicContact CD1-CD1 4.41Å; L690-I706 HydrophobicContact CD1-CD1 4.22Å; L690-I706 HydrophobicContact CD1-CG1 4.13Å; L690-I706 HydrophobicContact CD2-CG1 4.35Å; L690-P723 HydrophobicContact CB-CG 4.23Å; L690-P723 HydrophobicContact CD2-CB 4.02Å; L690-P723 HydrophobicContact CD2-CG 3.66Å; L690-P723 HydrophobicContact CG-CB 3.83Å; L690-P723 HydrophobicContact CG-CG 3.7Å; L690-L739 HydrophobicContact CD1-CD2 4.27Å; L690-L739 HydrophobicContact CD2-CD2 4.24Å
691	H	97.9	Very high	94.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-41	173.8	-69.2	101.6	0	0	0	112.2	F687 S688 A689 A694 L695 I715 N717 Q721 L726	F687-H691 HydrophobicContact CB-CB 4.26Å; F687-H691 HydrophobicContact CD1-CB 3.52Å; F687-H691 HydrophobicContact CE1-CB 4.2Å; F687-H691 HydrophobicContact CG-CB 4.18Å; S688-H691 PolarHBondContact N-ND1 2.59Å; S688-H691 WeakPolarHBondContact O-CB 3.42Å; S688-H691 PolarHBondContact O-N 2.76Å; S688-H691 PolarHBondContact OG-ND1 3.24Å; A689-H691 PolarHBondContact O-N 3.18Å; H691-A694 PolarHBondContact O-N 3.41Å; H691-L695 WeakPolarHBondContact O-CB 3.46Å; H691-L695 PolarHBondContact O-N 3.03Å; H691-I715 PolarHBondContact CE1-O 3.07Å; H691-I715 VanDerWaalsContact CE1-O 3.25Å; H691-I715 PolarHBondContact NE2-O 3.21Å; H691-I715 VanDerWaalsContact NE2-O 3.13Å; H691-N717 PolarHBondContact NE2-N 3.17Å; H691-Q721 PolarHBondContact NE2-O 2.9Å; H691-L726 HydrophobicContact CB-CD1 3.77Å
692	L	97.3	Very high	94.5	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-41.6	-179.8	-65	170.9	0	0	0	111.7	F653 H657 A660 L661 F687 S688 A689 L690 L695 N696	F653-L692 HydrophobicContact CD1-CD1 4.02Å; F653-L692 HydrophobicContact CE1-CD1 3.74Å; F653-L692 HydrophobicContact CE1-CD2 4.01Å; H657-L692 HydrophobicContact CB-CD1 3.67Å; H657-L692 WeakPolarHBondContact O-CD1 3.21Å; A660-L692 HydrophobicContact CB-CB 4.22Å; L661-L692 HydrophobicContact CD1-CD2 4.47Å; F687-L692 HydrophobicContact CB-CD2 4.34Å; F687-L692 HydrophobicContact CB-CG 4.44Å; F687-L692 HydrophobicContact CD1-CD2 4.04Å; S688-L692 PolarHBondContact O-N 2.93Å; A689-L692 PolarHBondContact O-N 2.97Å; L690-L692 VanDerWaalsContact C-N 3.32Å; L690-L692 PolarHBondContact O-N 3.03Å; L692-L695 PolarHBondContact O-N 2.71Å; L692-N696 PolarHBondContact O-N 2.72Å; L692-N696 PolarHBondContact O-ND2 2.89Å
693	A	97.6	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-43.6	173.6	0	0	0	0	0	111.3	A660 A689 L690 N696 N697 H698 V701 A702 L705	A660-A693 HydrophobicContact CB-CB 4.43Å; A689-A693 PolarHBondContact O-N 3.31Å; L690-A693 PolarHBondContact O-N 3.46Å; A693-N696 PolarHBondContact O-N 3.48Å; A693-N697 PolarHBondContact O-N 2.96Å; A693-H698 HydrophobicContact CB-CB 4.26Å; A693-H698 PolarHBondContact O-N 2.8Å; A693-V701 HydrophobicContact CB-CB 4.43Å; A693-V701 HydrophobicContact CB-CG1 4.18Å; A693-A702 HydrophobicContact CB-CB 4.2Å; A693-L705 HydrophobicContact CB-CD1 4.15Å
694	A	96.4	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-43.5	176	0	0	0	0	0	112.8	L690 H691 N696 P723 L726 A727 H732	L690-A694 WeakPolarHBondContact O-CB 3.36Å; L690-A694 PolarHBondContact O-N 3.13Å; H691-A694 PolarHBondContact O-N 3.41Å; A694-N696 VanDerWaalsContact C-N 3.32Å; A694-N696 PolarHBondContact O-N 3.27Å; A694-P723 HydrophobicContact CB-CB 3.88Å; A694-P723 WeakPolarHBondContact CB-O 3.25Å; A694-L726 HydrophobicContact CB-CB 4.46Å; A694-A727 HydrophobicContact CB-CB 4.39Å; A694-H732 PolarHBondContact O-CD2 3.23Å
695	L	94.9	Very high	95.5	Very high	52 Å²	52	27.6 Å²	27.6	27%	0.272	14%	0.136	S	C	.	.	H	α-helix	trans	-66.8	-32.9	-179.8	-173.4	67	0	0	0	112.7	F687 H691 L692 Q730 H732	F687-L695 HydrophobicContact CE1-CD2 4.27Å; H691-L695 WeakPolarHBondContact O-CB 3.46Å; H691-L695 PolarHBondContact O-N 3.03Å; L692-L695 PolarHBondContact O-N 2.71Å; L695-Q730 HydrophobicContact CD1-CG 3.94Å; L695-H732 PolarHBondContact O-NE2 3.23Å; L695-H732 VanDerWaalsContact O-NE2 3.15Å
696	N	91.6	Very high	95.9	Very high	66 Å²	66	25 Å²	25	35%	0.353	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.4	-171.6	-66.1	-84	0	0	0	114.6	L692 A693 A694 H698	L692-N696 PolarHBondContact O-N 2.72Å; L692-N696 PolarHBondContact O-ND2 2.89Å; A693-N696 PolarHBondContact O-N 3.48Å; A694-N696 VanDerWaalsContact C-N 3.32Å; A694-N696 PolarHBondContact O-N 3.27Å; N696-H698 VanDerWaalsContact C-N 3.34Å; N696-H698 VanDerWaalsContact CB-CD2 3.42Å; N696-H698 WeakPolarHBondContact CB-CD2 3.39Å; N696-H698 WeakPolarHBondContact CB-NE2 3.24Å; N696-H698 PolarHBondContact O-N 2.91Å
697	N	93.6	Very high	95.9	Very high	76 Å²	76	29 Å²	29	41%	0.406	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	32.5	-179	-156.8	20.9	0	0	0	115.3	A693 R699 H732	A693-N697 PolarHBondContact O-N 2.96Å; N697-R699 VanDerWaalsContact C-N 3.28Å; N697-R699 PolarHBondContact O-N 3.4Å; N697-H732 HydrophobicContact CB-CB 4.42Å; N697-H732 PolarHBondContact N-NE2 3.42Å; N697-H732 WeakPolarHBondContact OD1-CB 3.34Å
698	H	96.2	Very high	95.5	Very high	50 Å²	50	31.9 Å²	31.9	23%	0.231	15%	0.153	C	C	.	.			trans	-88.3	69.4	179.6	-62.7	-49.6	0	0	0	110.6	A660 L661 G663 A693 N696 D700 V701 A702	A660-H698 PolarHBondContact O-CD2 2.78Å; L661-H698 PolarHBondContact O-NE2 3.4Å; G663-H698 VanDerWaalsContact CA-ND1 3.31Å; G663-H698 WeakPolarHBondContact CA-ND1 3.47Å; G663-H698 PolarHBondContact N-CD2 3.14Å; G663-H698 PolarHBondContact N-NE2 3.1Å; A693-H698 HydrophobicContact CB-CB 4.26Å; A693-H698 PolarHBondContact O-N 2.8Å; N696-H698 VanDerWaalsContact C-N 3.34Å; N696-H698 VanDerWaalsContact CB-CD2 3.42Å; N696-H698 WeakPolarHBondContact CB-CD2 3.39Å; N696-H698 WeakPolarHBondContact CB-NE2 3.24Å; N696-H698 PolarHBondContact O-N 2.91Å; H698-D700 VanDerWaalsContact C-N 3.33Å; H698-D700 PolarHBondContact O-N 3.26Å; H698-V701 HydrophobicContact CB-CB 4.04Å; H698-V701 HydrophobicContact CB-CG2 4.21Å; H698-V701 PolarHBondContact O-N 3.46Å; H698-V701 VanDerWaalsContact O-N 3.14Å; H698-A702 PolarHBondContact O-N 3.1Å
699	R	95	Very high	94.7	Very high	89 Å²	89	31.9 Å²	31.9	34%	0.336	15%	0.153	S	C	.	.	H	α-helix	trans	-53.1	-47.3	-174.8	-177	-169.1	171.9	-73.3	-6.4	112.8	N697 V701 A702 E703 L738	N697-R699 VanDerWaalsContact C-N 3.28Å; N697-R699 PolarHBondContact O-N 3.4Å; R699-V701 VanDerWaalsContact C-N 3.3Å; R699-V701 PolarHBondContact O-N 3.04Å; R699-A702 WeakPolarHBondContact O-CB 3.01Å; R699-A702 PolarHBondContact O-N 3.24Å; R699-E703 IonicContact CZ-OE2 3.66Å; R699-E703 IonicContact NH1-OE2 3.63Å; R699-E703 PolarHBondContact NH1-OE2 3.42Å; R699-E703 IonicContact NH2-OE2 3.84Å; R699-E703 WeakPolarHBondContact O-CB 3.49Å; R699-E703 PolarHBondContact O-N 3.3Å; R699-L738 HydrophobicContact CG-CD2 3.88Å
700	D	95.9	Very high	94.2	Very high	85 Å²	85	36.5 Å²	36.5	46%	0.455	17%	0.171	S	C	.	.	H	α-helix	trans	-67.3	-33.8	-176.7	-59.3	-20.8	0	0	0	112.1	K665 H698 V704	K665-D700 HydrophobicContact CD-CB 4.14Å; H698-D700 VanDerWaalsContact C-N 3.33Å; H698-D700 PolarHBondContact O-N 3.26Å; D700-V704 WeakPolarHBondContact O-CG2 3.42Å; D700-V704 PolarHBondContact O-N 3.23Å; D700-V704 VanDerWaalsContact O-N 3.07Å
701	V	97.6	Very high	93.7	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-43.1	173.7	175.9	0	0	0	0	110.7	A660 K665 T668 A693 H698 R699 E703 V704 L705	A660-V701 HydrophobicContact CB-CG1 4.2Å; K665-V701 HydrophobicContact CB-CG2 4.43Å; T668-V701 HydrophobicContact CG2-CG1 3.95Å; T668-V701 WeakPolarHBondContact OG1-CG1 3.39Å; A693-V701 HydrophobicContact CB-CB 4.43Å; A693-V701 HydrophobicContact CB-CG1 4.18Å; H698-V701 HydrophobicContact CB-CB 4.04Å; H698-V701 HydrophobicContact CB-CG2 4.21Å; H698-V701 PolarHBondContact O-N 3.46Å; H698-V701 VanDerWaalsContact O-N 3.14Å; R699-V701 VanDerWaalsContact C-N 3.3Å; R699-V701 PolarHBondContact O-N 3.04Å; V701-E703 VanDerWaalsContact C-N 3.3Å; V701-E703 PolarHBondContact O-N 3.44Å; V701-V704 PolarHBondContact O-N 2.87Å; V701-L705 HydrophobicContact CG1-CD1 3.86Å; V701-L705 HydrophobicContact CG1-CG 4.21Å; V701-L705 WeakPolarHBondContact O-CB 3.3Å; V701-L705 VanDerWaalsContact O-CG 3.25Å; V701-L705 WeakPolarHBondContact O-CG 3.41Å; V701-L705 PolarHBondContact O-N 3.49Å
702	A	97.6	Very high	93.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-42.1	174.5	0	0	0	0	0	111.5	L690 A693 H698 R699 V704 L705 I706 L735 L738	L690-A702 HydrophobicContact CD1-CB 3.86Å; A693-A702 HydrophobicContact CB-CB 4.2Å; H698-A702 PolarHBondContact O-N 3.1Å; R699-A702 WeakPolarHBondContact O-CB 3.01Å; R699-A702 PolarHBondContact O-N 3.24Å; A702-V704 PolarHBondContact O-N 2.8Å; A702-L705 PolarHBondContact O-N 3.14Å; A702-I706 WeakPolarHBondContact O-CB 3.15Å; A702-I706 WeakPolarHBondContact O-CD1 3.34Å; A702-I706 WeakPolarHBondContact O-CG1 3.43Å; A702-I706 PolarHBondContact O-N 2.92Å; A702-L735 HydrophobicContact CB-CD1 3.52Å; A702-L738 HydrophobicContact CB-CD2 4.28Å
703	E	96.6	Very high	93.2	Very high	49 Å²	49	41.2 Å²	41.2	23%	0.229	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-44.8	175.9	-175.4	164	-162.5	0	0	111.8	R699 V701 I706 K707 L738	R699-E703 IonicContact CZ-OE2 3.66Å; R699-E703 IonicContact NH1-OE2 3.63Å; R699-E703 PolarHBondContact NH1-OE2 3.42Å; R699-E703 IonicContact NH2-OE2 3.84Å; R699-E703 WeakPolarHBondContact O-CB 3.49Å; R699-E703 PolarHBondContact O-N 3.3Å; V701-E703 VanDerWaalsContact C-N 3.3Å; V701-E703 PolarHBondContact O-N 3.44Å; E703-I706 PolarHBondContact O-N 2.94Å; E703-K707 HydrophobicContact CG-CD 3.81Å; E703-K707 HydrophobicContact CG-CG 4.44Å; E703-K707 VanDerWaalsContact O-CB 3.3Å; E703-K707 WeakPolarHBondContact O-CB 3.36Å; E703-K707 WeakPolarHBondContact O-CG 2.9Å; E703-K707 PolarHBondContact O-N 3.47Å; E703-K707 IonicContact OE1-NZ 3.74Å; E703-K707 PolarHBondContact OE1-NZ 2.91Å; E703-L738 HydrophobicContact CB-CD1 4.5Å; E703-L738 HydrophobicContact CB-CD2 3.85Å; E703-L738 HydrophobicContact CG-CD1 4.45Å
704	V	97	Very high	93	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-45.9	175	168.3	0	0	0	0	111.6	K665 T668 E669 L672 D700 V701 A702 I706 E708 G709	K665-V704 HydrophobicContact CG-CG2 4.16Å; T668-V704 HydrophobicContact CG2-CB 4.39Å; T668-V704 HydrophobicContact CG2-CG1 3.76Å; E669-V704 HydrophobicContact CG-CG1 3.74Å; E669-V704 HydrophobicContact CG-CG2 3.92Å; L672-V704 HydrophobicContact CD1-CG1 3.77Å; D700-V704 WeakPolarHBondContact O-CG2 3.42Å; D700-V704 PolarHBondContact O-N 3.23Å; D700-V704 VanDerWaalsContact O-N 3.07Å; V701-V704 PolarHBondContact O-N 2.87Å; A702-V704 PolarHBondContact O-N 2.8Å; V704-I706 VanDerWaalsContact C-N 3.28Å; V704-I706 PolarHBondContact O-N 3.05Å; V704-E708 HydrophobicContact CG1-CB 4.32Å; V704-E708 HydrophobicContact CG1-CG 4.42Å; V704-E708 WeakPolarHBondContact O-CA 3.45Å; V704-E708 VanDerWaalsContact O-CB 3.3Å; V704-E708 WeakPolarHBondContact O-CB 3.41Å; V704-E708 PolarHBondContact O-N 3.39Å; V704-G709 PolarHBondContact O-N 3.22Å
705	L	96.6	Very high	92.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.5	-40.9	178.4	-72.3	168	0	0	0	111.7	L656 A660 T668 L672 V679 A689 L690 A693 V701 A702 G709 R710 C711	L656-L705 HydrophobicContact CD1-CD2 4.18Å; L656-L705 HydrophobicContact CD2-CD2 4.27Å; L656-L705 HydrophobicContact CG-CD2 4.38Å; A660-L705 HydrophobicContact CB-CD1 4.45Å; T668-L705 HydrophobicContact CG2-CD2 3.93Å; T668-L705 HydrophobicContact CG2-CG 4.05Å; L672-L705 HydrophobicContact CD1-CD2 4.29Å; V679-L705 HydrophobicContact CG2-CD2 3.87Å; A689-L705 HydrophobicContact CB-CD1 3.97Å; A689-L705 HydrophobicContact CB-CD2 3.88Å; L690-L705 HydrophobicContact CB-CD1 4.42Å; L690-L705 HydrophobicContact CD1-CB 4.47Å; L690-L705 HydrophobicContact CD1-CD1 4.41Å; A693-L705 HydrophobicContact CB-CD1 4.15Å; V701-L705 HydrophobicContact CG1-CD1 3.86Å; V701-L705 HydrophobicContact CG1-CG 4.21Å; V701-L705 WeakPolarHBondContact O-CB 3.3Å; V701-L705 VanDerWaalsContact O-CG 3.25Å; V701-L705 WeakPolarHBondContact O-CG 3.41Å; V701-L705 PolarHBondContact O-N 3.49Å; A702-L705 PolarHBondContact O-N 3.14Å; L705-G709 CarbonylContact O-C 3.59Å; L705-G709 WeakPolarHBondContact O-CA 3.41Å; L705-G709 PolarHBondContact O-N 3.46Å; L705-R710 PolarHBondContact O-N 2.87Å; L705-R710 VanDerWaalsContact O-N 3.09Å; L705-C711 VanDerWaalsContact C-SG 3.56Å; L705-C711 PolarHBondContact O-N 2.94Å; L705-C711 PolarHBondContact O-SG 3.42Å; L705-C711 VanDerWaalsContact O-SG 3.35Å
706	I	93.9	Very high	92.8	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-74.4	-53.8	-179.9	-64.4	165.5	0	0	0	111	L690 A702 E703 V704 R710 V713 L739 E742	L690-I706 HydrophobicContact CD1-CD1 4.22Å; L690-I706 HydrophobicContact CD1-CG1 4.13Å; L690-I706 HydrophobicContact CD2-CG1 4.35Å; A702-I706 WeakPolarHBondContact O-CB 3.15Å; A702-I706 WeakPolarHBondContact O-CD1 3.34Å; A702-I706 WeakPolarHBondContact O-CG1 3.43Å; A702-I706 PolarHBondContact O-N 2.92Å; E703-I706 PolarHBondContact O-N 2.94Å; V704-I706 VanDerWaalsContact C-N 3.28Å; V704-I706 PolarHBondContact O-N 3.05Å; I706-R710 VanDerWaalsContact O-CA 3.28Å; I706-R710 WeakPolarHBondContact O-CA 3.45Å; I706-R710 PolarHBondContact O-N 3.46Å; I706-V713 HydrophobicContact CG1-CG2 4.21Å; I706-V713 HydrophobicContact CG2-CG2 4.08Å; I706-L739 HydrophobicContact CD1-CD2 3.88Å; I706-E742 HydrophobicContact CD1-CB 4.38Å; I706-E742 HydrophobicContact CD1-CG 4.44Å; I706-E742 HydrophobicContact CG2-CB 3.74Å; I706-E742 HydrophobicContact CG2-CG 3.83Å
707	K	90.1	Very high	92.9	Very high	85 Å²	85	42 Å²	42	37%	0.37	20%	0.196	S	C	.	.	H	α-helix	trans	-78.1	-43.8	-171.2	-66.3	-176.2	178.2	174.5	0	113	E703 E742	E703-K707 HydrophobicContact CG-CD 3.81Å; E703-K707 HydrophobicContact CG-CG 4.44Å; E703-K707 VanDerWaalsContact O-CB 3.3Å; E703-K707 WeakPolarHBondContact O-CB 3.36Å; E703-K707 WeakPolarHBondContact O-CG 2.9Å; E703-K707 PolarHBondContact O-N 3.47Å; E703-K707 IonicContact OE1-NZ 3.74Å; E703-K707 PolarHBondContact OE1-NZ 2.91Å; K707-E742 WeakPolarHBondContact CE-OE1 3.48Å; K707-E742 IonicContact NZ-OE1 2.69Å
708	E	87.5	Confident	93	Very high	90 Å²	90	43 Å²	43	42%	0.421	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-45.4	-178.3	-57	-175.1	-167.4	0	0	111.5	V704 R710	V704-E708 HydrophobicContact CG1-CB 4.32Å; V704-E708 HydrophobicContact CG1-CG 4.42Å; V704-E708 WeakPolarHBondContact O-CA 3.45Å; V704-E708 VanDerWaalsContact O-CB 3.3Å; V704-E708 WeakPolarHBondContact O-CB 3.41Å; V704-E708 PolarHBondContact O-N 3.39Å; E708-R710 VanDerWaalsContact C-N 3.3Å; E708-R710 PolarHBondContact O-N 2.87Å
709	G	79.3	Confident	92.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-29.3	179.5	0	0	0	0	0	113.1	R676 V704 L705 C711	R676-G709 PolarHBondContact NH1-O 3.21Å; V704-G709 PolarHBondContact O-N 3.22Å; L705-G709 CarbonylContact O-C 3.59Å; L705-G709 WeakPolarHBondContact O-CA 3.41Å; L705-G709 PolarHBondContact O-N 3.46Å; G709-C711 VanDerWaalsContact C-N 3.28Å
710	R	88	Confident	92.7	Very high	97 Å²	97	47.1 Å²	47.1	37%	0.366	22%	0.219	S	C	.	.			trans	56	44	-172.9	-51.4	-177.2	-172.2	-162.6	3.2	111.2	D165 L705 I706 E708	D165-R710 IonicContact OD2-NH2 3.39Å; L705-R710 PolarHBondContact O-N 2.87Å; L705-R710 VanDerWaalsContact O-N 3.09Å; I706-R710 VanDerWaalsContact O-CA 3.28Å; I706-R710 WeakPolarHBondContact O-CA 3.45Å; I706-R710 PolarHBondContact O-N 3.46Å; E708-R710 VanDerWaalsContact C-N 3.3Å; E708-R710 PolarHBondContact O-N 2.87Å
711	C	86.9	Confident	92.6	Very high	13 Å²	13	44.5 Å²	44.5	9%	0.088	21%	0.205	C	C	.	.			trans	-66.3	160.2	177.3	61.4	0	0	0	0	112.4	V679 D680 L705 G709 V713	V679-C711 HydrophobicContact CB-CB 4.49Å; V679-C711 HydrophobicContact CG1-CB 4.24Å; V679-C711 HydrophobicContact CG2-CB 3.59Å; D680-C711 WeakPolarHBondContact OD1-CA 3.11Å; D680-C711 WeakPolarHBondContact OD1-CB 3.3Å; L705-C711 VanDerWaalsContact C-SG 3.56Å; L705-C711 PolarHBondContact O-N 2.94Å; L705-C711 PolarHBondContact O-SG 3.42Å; L705-C711 VanDerWaalsContact O-SG 3.35Å; G709-C711 VanDerWaalsContact C-N 3.28Å; C711-V713 PolarHBondContact O-N 3.29Å
712	D	89.9	Confident	92.6	Very high	80 Å²	80	44.5 Å²	44.5	43%	0.428	21%	0.205	S	C	.	.			trans	-71.9	106.9	165.6	179	11	0	0	0	109.5	D680 N714 I715	D680-D712 PolarHBondContact OD1-N 2.86Å; D680-D712 PolarHBondContact OD2-N 3.46Å; D712-N714 PolarHBondContact O-N 2.92Å; D712-N714 WeakPolarHBondContact OD1-CA 3.49Å; D712-N714 WeakPolarHBondContact OD1-CB 3.33Å; D712-N714 PolarHBondContact OD1-N 3.05Å; D712-I715 HydrophobicContact CB-CB 4.16Å; D712-I715 VanDerWaalsContact O-CB 3.32Å; D712-I715 WeakPolarHBondContact O-CB 3.32Å; D712-I715 WeakPolarHBondContact O-CG2 3.4Å; D712-I715 PolarHBondContact O-N 3.27Å; D712-I715 PolarHBondContact OD2-N 3.07Å
713	V	94.5	Very high	92.6	Very high	14 Å²	14	44.5 Å²	44.5	9%	0.085	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.3	178	-176.7	0	0	0	0	111.7	I706 C711 L739 A744	I706-V713 HydrophobicContact CG1-CG2 4.21Å; I706-V713 HydrophobicContact CG2-CG2 4.08Å; C711-V713 PolarHBondContact O-N 3.29Å; V713-L739 HydrophobicContact CG1-CD2 4.02Å; V713-A744 HydrophobicContact CG1-CB 3.72Å
714	N	94.1	Very high	92.6	Very high	45 Å²	45	42.2 Å²	42.2	24%	0.241	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	12.6	-174.6	-73.9	-39.1	0	0	0	113.1	D712 R716 G743 A744 D745 M748	D712-N714 PolarHBondContact O-N 2.92Å; D712-N714 WeakPolarHBondContact OD1-CA 3.49Å; D712-N714 WeakPolarHBondContact OD1-CB 3.33Å; D712-N714 PolarHBondContact OD1-N 3.05Å; N714-R716 PolarHBondContact O-N 3.37Å; N714-G743 PolarHBondContact ND2-O 2.77Å; N714-A744 WeakPolarHBondContact OD1-CA 3.31Å; N714-D745 PolarHBondContact OD1-N 3.47Å; N714-M748 HydrophobicContact CB-CE 3.43Å; N714-M748 VanDerWaalsContact CB-CE 3.43Å
715	I	93.5	Very high	92.5	Very high	8 Å²	8	42 Å²	42	4%	0.041	19%	0.192	C	C	.	.			trans	-55.4	136.4	178.1	-170.7	162.6	0	0	0	111.3	D680 K682 H691 D712 P723	D680-I715 HydrophobicContact CB-CD1 3.93Å; D680-I715 WeakPolarHBondContact O-CD1 3.43Å; K682-I715 VanDerWaalsContact CE-CG1 3.46Å; K682-I715 HydrophobicContact CG-CD1 4.38Å; H691-I715 PolarHBondContact CE1-O 3.07Å; H691-I715 VanDerWaalsContact CE1-O 3.25Å; H691-I715 PolarHBondContact NE2-O 3.21Å; H691-I715 VanDerWaalsContact NE2-O 3.13Å; D712-I715 HydrophobicContact CB-CB 4.16Å; D712-I715 VanDerWaalsContact O-CB 3.32Å; D712-I715 WeakPolarHBondContact O-CB 3.32Å; D712-I715 WeakPolarHBondContact O-CG2 3.4Å; D712-I715 PolarHBondContact O-N 3.27Å; D712-I715 PolarHBondContact OD2-N 3.07Å; I715-P723 HydrophobicContact CG2-CG 3.84Å; I715-P723 WeakPolarHBondContact O-CD 3.31Å
716	R	94.2	Very high	92.4	Very high	76 Å²	76	42.3 Å²	42.3	29%	0.287	19%	0.194	S	C	.	.			trans	-108.3	137.9	-178.5	-64.7	174.1	85	-177.5	10.3	112.5	K682 N714 N720 Q721 M748 E749	K682-R716 WeakPolarHBondContact CE-O 3.44Å; K682-R716 PolarHBondContact NZ-O 3.28Å; N714-R716 PolarHBondContact O-N 3.37Å; R716-N720 PolarHBondContact NE-O 3.32Å; R716-N720 VanDerWaalsContact NH2-CB 3.28Å; R716-Q721 WeakPolarHBondContact CA-O 3.11Å; R716-M748 HydrophobicContact CG-SD 3.79Å; R716-E749 PolarHBondContact NH2-O 2.92Å
717	N	93.6	Very high	92.4	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	19%	0.191	C	C	.	.			trans	-80.2	-175.2	170.7	73.3	9.1	0	0	0	112.1	G686 F687 H691 R719 N720 Q721	G686-N717 VanDerWaalsContact O-CA 3.3Å; G686-N717 WeakPolarHBondContact O-CA 3.3Å; G686-N717 WeakPolarHBondContact O-CB 3.49Å; F687-N717 HydrophobicContact CD2-CB 4.16Å; F687-N717 HydrophobicContact CE2-CB 4.32Å; F687-N717 VanDerWaalsContact CE2-ND2 3.34Å; F687-N717 WeakPolarHBondContact CE2-ND2 3.47Å; F687-N717 WeakPolarHBondContact CZ-ND2 3.43Å; H691-N717 PolarHBondContact NE2-N 3.17Å; N717-R719 PolarHBondContact O-N 3.44Å; N717-R719 WeakPolarHBondContact OD1-CA 3.39Å; N717-R719 WeakPolarHBondContact OD1-CB 3.13Å; N717-R719 PolarHBondContact OD1-N 2.94Å; N717-N720 WeakPolarHBondContact O-CA 3.46Å; N717-N720 PolarHBondContact O-N 2.85Å; N717-N720 PolarHBondContact OD1-N 3.14Å; N717-Q721 PolarHBondContact N-O 3.22Å; N717-Q721 PolarHBondContact ND2-OE1 3.21Å; N717-Q721 WeakPolarHBondContact OD1-CB 3.39Å; N717-Q721 PolarHBondContact OD1-N 2.74Å
718	N	94.3	Very high	92.5	Very high	97 Å²	97	37.6 Å²	37.6	52%	0.519	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.7	-178.8	-69.3	-2.4	0	0	0	113.4	E684 D685 G686 N720 E751	E684-N718 PolarHBondContact O-ND2 3.4Å; E684-N718 VanDerWaalsContact O-ND2 3.09Å; D685-N718 VanDerWaalsContact C-ND2 3.26Å; G686-N718 VanDerWaalsContact CA-OD1 3.22Å; G686-N718 WeakPolarHBondContact CA-OD1 3.37Å; G686-N718 PolarHBondContact N-ND2 2.97Å; N718-N720 VanDerWaalsContact C-N 3.26Å; N718-E751 VanDerWaalsContact O-OE1 3.1Å
719	R	91.9	Very high	92.6	Very high	166 Å²	166	33.8 Å²	33.8	63%	0.626	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	16.6	172.6	-63.8	-175.6	-177.8	177.8	-0.4	112.7	N717 Q721 E751	N717-R719 PolarHBondContact O-N 3.44Å; N717-R719 WeakPolarHBondContact OD1-CA 3.39Å; N717-R719 WeakPolarHBondContact OD1-CB 3.13Å; N717-R719 PolarHBondContact OD1-N 2.94Å; R719-Q721 HydrophobicContact CB-CG 3.94Å; R719-Q721 WeakPolarHBondContact O-CG 3.34Å; R719-Q721 PolarHBondContact O-N 2.79Å; R719-E751 WeakPolarHBondContact CA-OE2 3.22Å; R719-E751 WeakPolarHBondContact O-CG 3.49Å; R719-E751 PolarHBondContact O-N 3.24Å
720	N	92.9	Very high	93	Very high	60 Å²	60	38 Å²	38	32%	0.321	18%	0.176	S	C	.	.			trans	59.2	15.5	-176.4	-81.1	-23.2	0	0	0	114.9	R716 N717 N718 E751	R716-N720 PolarHBondContact NE-O 3.32Å; R716-N720 VanDerWaalsContact NH2-CB 3.28Å; N717-N720 WeakPolarHBondContact O-CA 3.46Å; N717-N720 PolarHBondContact O-N 2.85Å; N717-N720 PolarHBondContact OD1-N 3.14Å; N718-N720 VanDerWaalsContact C-N 3.26Å; N720-E751 HydrophobicContact CB-CG 4.05Å
721	Q	94.6	Very high	92.9	Very high	31 Å²	31	34.1 Å²	34.1	15%	0.145	17%	0.166	C	C	.	.			trans	-83.6	138.6	-178.4	-56.5	178.5	-56.6	0	0	110.6	H691 R716 N717 R719 L726 D750	H691-Q721 PolarHBondContact NE2-O 2.9Å; R716-Q721 WeakPolarHBondContact CA-O 3.11Å; N717-Q721 PolarHBondContact N-O 3.22Å; N717-Q721 PolarHBondContact ND2-OE1 3.21Å; N717-Q721 WeakPolarHBondContact OD1-CB 3.39Å; N717-Q721 PolarHBondContact OD1-N 2.74Å; R719-Q721 HydrophobicContact CB-CG 3.94Å; R719-Q721 WeakPolarHBondContact O-CG 3.34Å; R719-Q721 PolarHBondContact O-N 2.79Å; Q721-L726 HydrophobicContact CB-CD2 4.34Å; Q721-D750 HydrophobicContact CG-CB 3.93Å
722	S	96.8	Very high	93	Very high	1 Å²	1	35 Å²	35	1%	0.007	17%	0.169	C	C	.	.			trans	-89.2	161.7	171.8	72	0	0	0	0	112.2	L724 Q725 L726	S722-L724 PolarHBondContact O-N 3Å; S722-Q725 PolarHBondContact O-N 3.02Å; S722-Q725 VanDerWaalsContact O-N 3.13Å; S722-Q725 PolarHBondContact OG-N 3.13Å; S722-Q725 PolarHBondContact OG-OE1 2.88Å; S722-L726 PolarHBondContact O-N 3.47Å; S722-L726 VanDerWaalsContact O-N 3.12Å
723	P	97.6	Very high	92.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-53.1	-37.4	171	-28.3	33.7	0	0	0	113	L690 A694 I715 L726 A727 L739	L690-P723 HydrophobicContact CB-CG 4.23Å; L690-P723 HydrophobicContact CD2-CB 4.02Å; L690-P723 HydrophobicContact CD2-CG 3.66Å; L690-P723 HydrophobicContact CG-CB 3.83Å; L690-P723 HydrophobicContact CG-CG 3.7Å; A694-P723 HydrophobicContact CB-CB 3.88Å; A694-P723 WeakPolarHBondContact CB-O 3.25Å; I715-P723 HydrophobicContact CG2-CG 3.84Å; I715-P723 WeakPolarHBondContact O-CD 3.31Å; P723-L726 PolarHBondContact O-N 3.44Å; P723-A727 PolarHBondContact O-N 3.37Å; P723-L739 HydrophobicContact CB-CD1 4.27Å; P723-L739 HydrophobicContact CB-CD2 4.25Å
724	L	97.3	Very high	92.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-48.9	176.5	177.6	63.2	0	0	0	111.2	S722 L726 A727 V728 V736 L739 V740 A744 V746 A756 L807	S722-L724 PolarHBondContact O-N 3Å; L724-L726 VanDerWaalsContact C-N 3.29Å; L724-L726 PolarHBondContact O-N 3.21Å; L724-A727 PolarHBondContact O-N 3.43Å; L724-V728 HydrophobicContact CD1-CG2 4.21Å; L724-V728 HydrophobicContact CG-CG2 4.49Å; L724-V728 WeakPolarHBondContact O-CB 3.42Å; L724-V728 VanDerWaalsContact O-CG2 3.3Å; L724-V728 WeakPolarHBondContact O-CG2 3.44Å; L724-V728 PolarHBondContact O-N 3.44Å; L724-V736 HydrophobicContact CD1-CB 4.41Å; L724-V736 HydrophobicContact CD1-CG1 3.93Å; L724-V736 HydrophobicContact CD1-CG2 4.46Å; L724-L739 HydrophobicContact CD1-CB 4.27Å; L724-V740 HydrophobicContact CD1-CG2 3.81Å; L724-V740 HydrophobicContact CD2-CG2 4.11Å; L724-A744 HydrophobicContact CB-CB 4.12Å; L724-A744 HydrophobicContact CD2-CB 3.95Å; L724-A744 HydrophobicContact CG-CB 4.48Å; L724-V746 HydrophobicContact CD2-CG1 4.16Å; L724-A756 HydrophobicContact CD2-CB 4.2Å; L724-A756 HydrophobicContact CG-CB 4.24Å; L724-L807 HydrophobicContact CD2-CD2 4.49Å
725	Q	94.1	Very high	92.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-38.5	178.1	-75.1	164.4	-44.3	0	0	111.6	S722 V728 T729 M748 D754 A756	S722-Q725 PolarHBondContact O-N 3.02Å; S722-Q725 VanDerWaalsContact O-N 3.13Å; S722-Q725 PolarHBondContact OG-N 3.13Å; S722-Q725 PolarHBondContact OG-OE1 2.88Å; Q725-V728 PolarHBondContact O-N 3.34Å; Q725-T729 VanDerWaalsContact O-CB 3.23Å; Q725-T729 WeakPolarHBondContact O-CB 3.45Å; Q725-T729 PolarHBondContact O-N 3.13Å; Q725-T729 PolarHBondContact O-OG1 2.72Å; Q725-M748 PolarHBondContact NE2-O 2.87Å; Q725-M748 VanDerWaalsContact NE2-O 3.08Å; Q725-D754 PolarHBondContact NE2-O 2.9Å; Q725-A756 HydrophobicContact CG-CB 4.18Å
726	L	94.6	Very high	92.2	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-41.1	175.7	-64.3	-176.4	0	0	0	112.9	F687 H691 A694 Q721 S722 P723 L724 T729 Q730	F687-L726 HydrophobicContact CD1-CD1 4.24Å; F687-L726 HydrophobicContact CE1-CD1 3.55Å; F687-L726 HydrophobicContact CZ-CD1 4.24Å; H691-L726 HydrophobicContact CB-CD1 3.77Å; A694-L726 HydrophobicContact CB-CB 4.46Å; Q721-L726 HydrophobicContact CB-CD2 4.34Å; S722-L726 PolarHBondContact O-N 3.47Å; S722-L726 VanDerWaalsContact O-N 3.12Å; P723-L726 PolarHBondContact O-N 3.44Å; L724-L726 VanDerWaalsContact C-N 3.29Å; L724-L726 PolarHBondContact O-N 3.21Å; L726-T729 WeakPolarHBondContact O-CB 3.49Å; L726-T729 PolarHBondContact O-N 2.66Å; L726-Q730 WeakPolarHBondContact O-CG 3.38Å; L726-Q730 PolarHBondContact O-N 2.96Å
727	A	94.5	Very high	92	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-42.3	175.6	0	0	0	0	0	111.3	A694 P723 L724 Q730 G731 H732 L735 V736 L739	A694-A727 HydrophobicContact CB-CB 4.39Å; P723-A727 PolarHBondContact O-N 3.37Å; L724-A727 PolarHBondContact O-N 3.43Å; A727-Q730 PolarHBondContact O-N 2.96Å; A727-G731 PolarHBondContact O-N 3.34Å; A727-H732 HydrophobicContact CB-CB 4.47Å; A727-H732 PolarHBondContact O-N 3.38Å; A727-L735 HydrophobicContact CB-CG 4.29Å; A727-V736 HydrophobicContact CB-CG2 3.8Å; A727-L739 HydrophobicContact CB-CD1 3.97Å
728	V	92.9	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-43.5	175	170.5	0	0	0	0	111.4	L724 Q725 Q730 G731 V736 A756 V759 A760 L766 I803 L807	L724-V728 HydrophobicContact CD1-CG2 4.21Å; L724-V728 HydrophobicContact CG-CG2 4.49Å; L724-V728 WeakPolarHBondContact O-CB 3.42Å; L724-V728 VanDerWaalsContact O-CG2 3.3Å; L724-V728 WeakPolarHBondContact O-CG2 3.44Å; L724-V728 PolarHBondContact O-N 3.44Å; Q725-V728 PolarHBondContact O-N 3.34Å; V728-Q730 PolarHBondContact O-N 3.05Å; V728-Q730 VanDerWaalsContact O-N 3.12Å; V728-G731 PolarHBondContact O-N 2.93Å; V728-V736 HydrophobicContact CB-CG2 4.47Å; V728-V736 HydrophobicContact CG2-CG1 4.17Å; V728-V736 HydrophobicContact CG2-CG2 3.62Å; V728-A756 WeakPolarHBondContact CG1-O 3.18Å; V728-A756 HydrophobicContact CG2-CB 4.31Å; V728-V759 HydrophobicContact CG1-CB 4.47Å; V728-V759 HydrophobicContact CG1-CG1 4.3Å; V728-A760 HydrophobicContact CG1-CB 3.67Å; V728-L766 VanDerWaalsContact O-CD1 3.28Å; V728-L766 WeakPolarHBondContact O-CD1 3.43Å; V728-I803 HydrophobicContact CG1-CG2 3.99Å; V728-I803 HydrophobicContact CG2-CG2 3.92Å; V728-L807 HydrophobicContact CG2-CD1 4.41Å
729	T	90.1	Very high	91.9	Very high	10 Å²	10	25.9 Å²	25.9	6%	0.061	13%	0.125	C	C	.	.	H	α-helix	trans	-53.1	-34.3	177.7	-67.6	0	0	0	0	112.8	Q725 L726 V759 R763	Q725-T729 VanDerWaalsContact O-CB 3.23Å; Q725-T729 WeakPolarHBondContact O-CB 3.45Å; Q725-T729 PolarHBondContact O-N 3.13Å; Q725-T729 PolarHBondContact O-OG1 2.72Å; L726-T729 WeakPolarHBondContact O-CB 3.49Å; L726-T729 PolarHBondContact O-N 2.66Å; T729-V759 WeakPolarHBondContact OG1-CG1 3.34Å; T729-R763 VanDerWaalsContact CG2-NH2 3.29Å; T729-R763 PolarHBondContact O-NH1 3.35Å
730	Q	87	Confident	92	Very high	88 Å²	88	18.1 Å²	18.1	41%	0.411	10%	0.096	S	C	.	.	H	α-helix	trans	-99.1	-7.9	-178.8	-59.4	-64.3	-21	0	0	113.5	L695 L726 A727 V728 H732	L695-Q730 HydrophobicContact CD1-CG 3.94Å; L726-Q730 WeakPolarHBondContact O-CG 3.38Å; L726-Q730 PolarHBondContact O-N 2.96Å; A727-Q730 PolarHBondContact O-N 2.96Å; V728-Q730 PolarHBondContact O-N 3.05Å; V728-Q730 VanDerWaalsContact O-N 3.12Å; Q730-H732 VanDerWaalsContact CB-CE1 3.49Å; Q730-H732 WeakPolarHBondContact CB-CE1 3.34Å; Q730-H732 WeakPolarHBondContact CB-NE2 3.48Å
731	G	85.6	Confident	91.9	Very high	15 Å²	15	19.3 Å²	19.3	16%	0.155	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	24.4	179.5	0	0	0	0	0	114.9	A727 V728 T733	A727-G731 PolarHBondContact O-N 3.34Å; V728-G731 PolarHBondContact O-N 2.93Å; G731-T733 VanDerWaalsContact C-N 3.34Å; G731-T733 PolarHBondContact O-N 3.45Å
732	H	88.8	Confident	91.7	Very high	33 Å²	33	21.3 Å²	21.3	15%	0.153	11%	0.112	C	C	.	.			trans	-79.5	76.1	-176	-62	-28.8	0	0	0	111.8	A694 L695 N697 A727 Q730 D734 L735 V736	A694-H732 PolarHBondContact O-CD2 3.23Å; L695-H732 PolarHBondContact O-NE2 3.23Å; L695-H732 VanDerWaalsContact O-NE2 3.15Å; N697-H732 HydrophobicContact CB-CB 4.42Å; N697-H732 PolarHBondContact N-NE2 3.42Å; N697-H732 WeakPolarHBondContact OD1-CB 3.34Å; A727-H732 HydrophobicContact CB-CB 4.47Å; A727-H732 PolarHBondContact O-N 3.38Å; Q730-H732 VanDerWaalsContact CB-CE1 3.49Å; Q730-H732 WeakPolarHBondContact CB-CE1 3.34Å; Q730-H732 WeakPolarHBondContact CB-NE2 3.48Å; H732-D734 PolarHBondContact O-N 2.89Å; H732-L735 HydrophobicContact CB-CB 4.06Å; H732-L735 PolarHBondContact O-N 2.84Å; H732-L735 VanDerWaalsContact O-N 3.1Å; H732-V736 WeakPolarHBondContact O-CG2 3.5Å; H732-V736 PolarHBondContact O-N 3.27Å
733	T	85.9	Confident	91.2	Very high	39 Å²	39	22.6 Å²	22.6	24%	0.239	13%	0.125	C	C	.	.	H	α-helix	trans	-53.6	-44.5	-169.3	54.6	0	0	0	0	114.6	G731 L735 V736 Q737 V799 I803	G731-T733 VanDerWaalsContact C-N 3.34Å; G731-T733 PolarHBondContact O-N 3.45Å; T733-L735 VanDerWaalsContact C-N 3.29Å; T733-L735 PolarHBondContact O-N 3.21Å; T733-V736 PolarHBondContact O-N 3.4Å; T733-Q737 PolarHBondContact O-N 2.7Å; T733-V799 HydrophobicContact CG2-CG1 4.02Å; T733-I803 HydrophobicContact CG2-CD1 4.25Å; T733-I803 HydrophobicContact CG2-CG1 4.17Å
734	D	86.9	Confident	91.1	Very high	44 Å²	44	23 Å²	23	24%	0.235	13%	0.129	C	C	.	.	H	α-helix	trans	-71.4	-28.4	-176.4	-59.3	-23.7	0	0	0	112.1	H732 L738	H732-D734 PolarHBondContact O-N 2.89Å; D734-L738 PolarHBondContact O-N 3.43Å; D734-L738 VanDerWaalsContact O-N 3.16Å
735	L	89.8	Confident	90.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-81.2	-36.5	176.2	-174.6	45.8	0	0	0	111.7	A702 A727 H732 T733 Q737 L738 L739	A702-L735 HydrophobicContact CB-CD1 3.52Å; A727-L735 HydrophobicContact CB-CG 4.29Å; H732-L735 HydrophobicContact CB-CB 4.06Å; H732-L735 PolarHBondContact O-N 2.84Å; H732-L735 VanDerWaalsContact O-N 3.1Å; T733-L735 VanDerWaalsContact C-N 3.29Å; T733-L735 PolarHBondContact O-N 3.21Å; L735-Q737 VanDerWaalsContact C-N 3.31Å; L735-Q737 PolarHBondContact O-N 2.83Å; L735-L738 HydrophobicContact CD1-CB 4.5Å; L735-L738 HydrophobicContact CD1-CD2 3.99Å; L735-L738 PolarHBondContact O-N 2.97Å; L735-L739 HydrophobicContact CD1-CD1 4.31Å; L735-L739 HydrophobicContact CD1-CG 4.23Å; L735-L739 HydrophobicContact CG-CD1 4.23Å; L735-L739 WeakPolarHBondContact O-CB 3.5Å; L735-L739 VanDerWaalsContact O-CG 3.28Å; L735-L739 WeakPolarHBondContact O-CG 3.37Å; L735-L739 PolarHBondContact O-N 3.33Å
736	V	93.3	Very high	90.8	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-57	-47.2	169.3	168.7	0	0	0	0	110.2	L724 A727 V728 H732 T733 L739 V740 F806	L724-V736 HydrophobicContact CD1-CB 4.41Å; L724-V736 HydrophobicContact CD1-CG1 3.93Å; L724-V736 HydrophobicContact CD1-CG2 4.46Å; A727-V736 HydrophobicContact CB-CG2 3.8Å; V728-V736 HydrophobicContact CB-CG2 4.47Å; V728-V736 HydrophobicContact CG2-CG1 4.17Å; V728-V736 HydrophobicContact CG2-CG2 3.62Å; H732-V736 WeakPolarHBondContact O-CG2 3.5Å; H732-V736 PolarHBondContact O-N 3.27Å; T733-V736 PolarHBondContact O-N 3.4Å; V736-L739 PolarHBondContact O-N 3.34Å; V736-V740 WeakPolarHBondContact O-CG2 3.36Å; V736-V740 PolarHBondContact O-N 3.34Å; V736-F806 HydrophobicContact CG1-CD1 4.14Å; V736-F806 HydrophobicContact CG1-CE1 4.09Å
737	Q	89.3	Confident	90.7	Very high	39 Å²	39	29 Å²	29	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-57.9	-52.5	175.5	-177.2	68.2	46.2	0	0	111.4	T733 L735 L739 V740 D741 F806	T733-Q737 PolarHBondContact O-N 2.7Å; L735-Q737 VanDerWaalsContact C-N 3.31Å; L735-Q737 PolarHBondContact O-N 2.83Å; Q737-L739 VanDerWaalsContact C-N 3.31Å; Q737-L739 PolarHBondContact O-N 3.09Å; Q737-V740 PolarHBondContact O-N 2.81Å; Q737-D741 WeakPolarHBondContact CG-OD2 3.13Å; Q737-D741 VanDerWaalsContact NE2-CG 3.26Å; Q737-D741 PolarHBondContact NE2-OD1 2.91Å; Q737-D741 PolarHBondContact NE2-OD2 2.86Å; Q737-D741 VanDerWaalsContact NE2-OD2 3.07Å; Q737-D741 WeakPolarHBondContact O-CB 3.37Å; Q737-D741 VanDerWaalsContact O-CG 3.26Å; Q737-D741 PolarHBondContact O-N 2.94Å; Q737-F806 VanDerWaalsContact CD-CZ 3.49Å
738	L	92.4	Very high	90.5	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-55.2	-46.3	179.2	174.8	66.8	0	0	0	111.8	R699 A702 E703 D734 L735 D741 E742	R699-L738 HydrophobicContact CG-CD2 3.88Å; A702-L738 HydrophobicContact CB-CD2 4.28Å; E703-L738 HydrophobicContact CB-CD1 4.5Å; E703-L738 HydrophobicContact CB-CD2 3.85Å; E703-L738 HydrophobicContact CG-CD1 4.45Å; D734-L738 PolarHBondContact O-N 3.43Å; D734-L738 VanDerWaalsContact O-N 3.16Å; L735-L738 HydrophobicContact CD1-CB 4.5Å; L735-L738 HydrophobicContact CD1-CD2 3.99Å; L735-L738 PolarHBondContact O-N 2.97Å; L738-D741 PolarHBondContact O-N 3.32Å; L738-E742 HydrophobicContact CD1-CG 3.99Å; L738-E742 WeakPolarHBondContact O-CB 3.25Å; L738-E742 WeakPolarHBondContact O-CG 3.09Å; L738-E742 PolarHBondContact O-N 2.86Å
739	L	94.6	Very high	90.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-42.8	-179.3	-72.5	166.8	0	0	0	111.7	L690 I706 V713 P723 L724 A727 L735 V736 Q737 E742 G743 A744	L690-L739 HydrophobicContact CD1-CD2 4.27Å; L690-L739 HydrophobicContact CD2-CD2 4.24Å; I706-L739 HydrophobicContact CD1-CD2 3.88Å; V713-L739 HydrophobicContact CG1-CD2 4.02Å; P723-L739 HydrophobicContact CB-CD1 4.27Å; P723-L739 HydrophobicContact CB-CD2 4.25Å; L724-L739 HydrophobicContact CD1-CB 4.27Å; A727-L739 HydrophobicContact CB-CD1 3.97Å; L735-L739 HydrophobicContact CD1-CD1 4.31Å; L735-L739 HydrophobicContact CD1-CG 4.23Å; L735-L739 HydrophobicContact CG-CD1 4.23Å; L735-L739 WeakPolarHBondContact O-CB 3.5Å; L735-L739 VanDerWaalsContact O-CG 3.28Å; L735-L739 WeakPolarHBondContact O-CG 3.37Å; L735-L739 PolarHBondContact O-N 3.33Å; V736-L739 PolarHBondContact O-N 3.34Å; Q737-L739 VanDerWaalsContact C-N 3.31Å; Q737-L739 PolarHBondContact O-N 3.09Å; L739-E742 CarbonylContact O-C 3.57Å; L739-E742 PolarHBondContact O-N 2.77Å; L739-G743 PolarHBondContact O-N 2.9Å; L739-A744 HydrophobicContact CB-CB 4.08Å; L739-A744 WeakPolarHBondContact O-CB 3.37Å; L739-A744 PolarHBondContact O-N 2.89Å
740	V	93	Very high	90.5	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-41.2	178.7	176.6	0	0	0	0	111.7	L724 V736 Q737 E742 G743 V746 F806 L807 E810	L724-V740 HydrophobicContact CD1-CG2 3.81Å; L724-V740 HydrophobicContact CD2-CG2 4.11Å; V736-V740 WeakPolarHBondContact O-CG2 3.36Å; V736-V740 PolarHBondContact O-N 3.34Å; Q737-V740 PolarHBondContact O-N 2.81Å; V740-E742 PolarHBondContact O-N 3.23Å; V740-G743 PolarHBondContact O-N 2.92Å; V740-V746 HydrophobicContact CG1-CG1 4.16Å; V740-V746 HydrophobicContact CG2-CG1 3.9Å; V740-F806 HydrophobicContact CB-CE1 4.03Å; V740-F806 HydrophobicContact CB-CZ 4.08Å; V740-F806 HydrophobicContact CG1-CE1 4.26Å; V740-F806 HydrophobicContact CG1-CZ 4.06Å; V740-F806 HydrophobicContact CG2-CE1 3.95Å; V740-F806 HydrophobicContact CG2-CZ 4.49Å; V740-L807 HydrophobicContact CG2-CD2 4.38Å; V740-E810 HydrophobicContact CG1-CB 3.88Å; V740-E810 HydrophobicContact CG1-CG 3.75Å
741	D	89.9	Confident	90.8	Very high	85 Å²	85	34.5 Å²	34.5	46%	0.455	19%	0.187	S	C	.	.	H	α-helix	trans	-60	-37.2	175.6	-73.5	-19.7	0	0	0	111.7	Q737 L738 G743	Q737-D741 WeakPolarHBondContact CG-OD2 3.13Å; Q737-D741 VanDerWaalsContact NE2-CG 3.26Å; Q737-D741 PolarHBondContact NE2-OD1 2.91Å; Q737-D741 PolarHBondContact NE2-OD2 2.86Å; Q737-D741 VanDerWaalsContact NE2-OD2 3.07Å; Q737-D741 WeakPolarHBondContact O-CB 3.37Å; Q737-D741 VanDerWaalsContact O-CG 3.26Å; Q737-D741 PolarHBondContact O-N 2.94Å; L738-D741 PolarHBondContact O-N 3.32Å; D741-G743 VanDerWaalsContact C-N 3.27Å; D741-G743 PolarHBondContact O-N 2.7Å
742	E	91.2	Very high	91	Very high	72 Å²	72	37.6 Å²	37.6	34%	0.336	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	8.4	177.8	-61.3	-68.7	162.9	0	0	113.4	I706 K707 L738 L739 V740	I706-E742 HydrophobicContact CD1-CB 4.38Å; I706-E742 HydrophobicContact CD1-CG 4.44Å; I706-E742 HydrophobicContact CG2-CB 3.74Å; I706-E742 HydrophobicContact CG2-CG 3.83Å; K707-E742 WeakPolarHBondContact CE-OE1 3.48Å; K707-E742 IonicContact NZ-OE1 2.69Å; L738-E742 HydrophobicContact CD1-CG 3.99Å; L738-E742 WeakPolarHBondContact O-CB 3.25Å; L738-E742 WeakPolarHBondContact O-CG 3.09Å; L738-E742 PolarHBondContact O-N 2.86Å; L739-E742 CarbonylContact O-C 3.57Å; L739-E742 PolarHBondContact O-N 2.77Å; V740-E742 PolarHBondContact O-N 3.23Å
743	G	87.1	Confident	91.1	Very high	28 Å²	28	36 Å²	36	29%	0.289	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	24.1	168	0	0	0	0	0	116.4	N714 L739 V740 D741	N714-G743 PolarHBondContact ND2-O 2.77Å; L739-G743 PolarHBondContact O-N 2.9Å; V740-G743 PolarHBondContact O-N 2.92Å; D741-G743 VanDerWaalsContact C-N 3.27Å; D741-G743 PolarHBondContact O-N 2.7Å
744	A	93.9	Very high	91.4	Very high	9 Å²	9	34.6 Å²	34.6	7%	0.074	18%	0.184	C	C	.	.			trans	-60.1	136.1	168.7	0	0	0	0	0	111.4	V713 N714 L724 L739 V746	V713-A744 HydrophobicContact CG1-CB 3.72Å; N714-A744 WeakPolarHBondContact OD1-CA 3.31Å; L724-A744 HydrophobicContact CB-CB 4.12Å; L724-A744 HydrophobicContact CD2-CB 3.95Å; L724-A744 HydrophobicContact CG-CB 4.48Å; L739-A744 HydrophobicContact CB-CB 4.08Å; L739-A744 WeakPolarHBondContact O-CB 3.37Å; L739-A744 PolarHBondContact O-N 2.89Å; A744-V746 PolarHBondContact O-N 2.93Å
745	D	92.1	Very high	91.8	Very high	73 Å²	73	32.6 Å²	32.6	39%	0.39	17%	0.173	S	C	.	.			trans	-77.4	109.7	174.3	-173.9	-5.5	0	0	0	110.1	N714 N747 M748	N714-D745 PolarHBondContact OD1-N 3.47Å; D745-N747 PolarHBondContact O-N 3.4Å; D745-N747 PolarHBondContact OD1-N 3.26Å; D745-M748 HydrophobicContact CB-CB 4.41Å; D745-M748 HydrophobicContact CB-CE 3.79Å; D745-M748 PolarHBondContact O-N 3.11Å
746	V	93.6	Very high	91.9	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.055	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.8	179.7	-61.9	0	0	0	0	113.4	L724 V740 A744 L807 E810 A812	L724-V746 HydrophobicContact CD2-CG1 4.16Å; V740-V746 HydrophobicContact CG1-CG1 4.16Å; V740-V746 HydrophobicContact CG2-CG1 3.9Å; A744-V746 PolarHBondContact O-N 2.93Å; V746-L807 HydrophobicContact CB-CD2 4.14Å; V746-L807 HydrophobicContact CG1-CD2 3.77Å; V746-E810 HydrophobicContact CG1-CB 4.35Å; V746-A812 HydrophobicContact CB-CB 4.47Å; V746-A812 HydrophobicContact CG2-CB 4.21Å
747	N	93.1	Very high	91.9	Very high	51 Å²	51	32.6 Å²	32.6	27%	0.273	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5.7	-176.6	-67.3	-51	0	0	0	113.5	D745 E749 G811 A812 D813	D745-N747 PolarHBondContact O-N 3.4Å; D745-N747 PolarHBondContact OD1-N 3.26Å; N747-E749 PolarHBondContact O-N 2.9Å; N747-G811 PolarHBondContact ND2-O 2.79Å; N747-A812 VanDerWaalsContact OD1-CA 3.26Å; N747-A812 WeakPolarHBondContact OD1-CA 3.49Å; N747-D813 PolarHBondContact OD1-N 2.94Å
748	M	90.2	Very high	92	Very high	28 Å²	28	30.7 Å²	30.7	14%	0.138	16%	0.164	C	C	.	.			trans	-64	134.9	177	-155.3	173.4	-66.9	0	0	110.8	N714 R716 Q725 D745 T755	N714-M748 HydrophobicContact CB-CE 3.43Å; N714-M748 VanDerWaalsContact CB-CE 3.43Å; R716-M748 HydrophobicContact CG-SD 3.79Å; Q725-M748 PolarHBondContact NE2-O 2.87Å; Q725-M748 VanDerWaalsContact NE2-O 3.08Å; D745-M748 HydrophobicContact CB-CB 4.41Å; D745-M748 HydrophobicContact CB-CE 3.79Å; D745-M748 PolarHBondContact O-N 3.11Å; M748-T755 WeakPolarHBondContact O-CA 3.24Å
749	E	91.8	Very high	91.9	Very high	65 Å²	65	31 Å²	31	30%	0.304	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-95.6	151.7	-179.8	64.4	-174.7	-177	0	0	111.9	R716 N747 Y816	R716-E749 PolarHBondContact NH2-O 2.92Å; N747-E749 PolarHBondContact O-N 2.9Å; E749-Y816 PolarHBondContact OE2-OH 3.48Å
750	D	91.5	Very high	91.7	Very high	14 Å²	14	31 Å²	31	8%	0.075	17%	0.166	C	C	.	.			trans	-94	-167.8	167.2	68.6	9.6	0	0	0	112	Q721 D752 G753 D754	Q721-D750 HydrophobicContact CG-CB 3.93Å; D750-D752 PolarHBondContact O-N 2.92Å; D750-D752 WeakPolarHBondContact OD1-CA 2.93Å; D750-D752 PolarHBondContact OD1-N 2.85Å; D750-G753 PolarHBondContact O-N 2.78Å; D750-G753 VanDerWaalsContact O-N 3.11Å; D750-G753 PolarHBondContact OD1-N 2.78Å; D750-D754 PolarHBondContact N-O 3.03Å; D750-D754 VanDerWaalsContact N-O 3.12Å; D750-D754 WeakPolarHBondContact OD1-CB 3.31Å; D750-D754 PolarHBondContact OD1-N 3.45Å
751	E	93.4	Very high	91.4	Very high	107 Å²	107	32.1 Å²	32.1	50%	0.5	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.9	177	-82.5	-178.3	154.5	0	0	114.3	N718 R719 N720 G753 H819	N718-E751 VanDerWaalsContact O-OE1 3.1Å; R719-E751 WeakPolarHBondContact CA-OE2 3.22Å; R719-E751 WeakPolarHBondContact O-CG 3.49Å; R719-E751 PolarHBondContact O-N 3.24Å; N720-E751 HydrophobicContact CB-CG 4.05Å; E751-G753 VanDerWaalsContact C-N 3.3Å; E751-H819 PolarHBondContact O-CE1 3.38Å; E751-H819 VanDerWaalsContact O-CE1 3.29Å; E751-H819 PolarHBondContact O-ND1 3.48Å
752	D	90.1	Very high	91.2	Very high	81 Å²	81	31.9 Å²	31.9	43%	0.433	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1	178.8	-77.6	-36.3	0	0	0	112.3	D750 H819 K820	D750-D752 PolarHBondContact O-N 2.92Å; D750-D752 WeakPolarHBondContact OD1-CA 2.93Å; D750-D752 PolarHBondContact OD1-N 2.85Å; D752-H819 VanDerWaalsContact O-CB 3.25Å; D752-H819 WeakPolarHBondContact O-CB 3.21Å; D752-H819 VanDerWaalsContact O-CG 3.32Å; D752-H819 PolarHBondContact O-N 2.7Å; D752-H819 VanDerWaalsContact O-N 3.1Å; D752-H819 PolarHBondContact O-ND1 3.33Å; D752-K820 IonicContact OD2-NZ 3.14Å
753	G	90.4	Very high	90.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	75.3	12.2	-172.7	0	0	0	0	0	112.4	D750 E751 Y816 N818 H819	D750-G753 PolarHBondContact O-N 2.78Å; D750-G753 VanDerWaalsContact O-N 3.11Å; D750-G753 PolarHBondContact OD1-N 2.78Å; E751-G753 VanDerWaalsContact C-N 3.3Å; G753-Y816 WeakPolarHBondContact O-CE1 3.34Å; G753-N818 WeakPolarHBondContact O-CA 3.37Å; G753-N818 VanDerWaalsContact O-CB 3.32Å; G753-N818 WeakPolarHBondContact O-CB 3.27Å; G753-H819 PolarHBondContact N-CE1 3.18Å; G753-H819 PolarHBondContact N-ND1 2.92Å
754	D	92.6	Very high	89.2	Confident	9 Å²	9	35.5 Å²	35.5	5%	0.048	18%	0.184	C	C	.	.			trans	-82.3	121.8	-177.5	-77	-36.8	0	0	0	110	Q725 D750 H758 V759 N818	Q725-D754 PolarHBondContact NE2-O 2.9Å; D750-D754 PolarHBondContact N-O 3.03Å; D750-D754 VanDerWaalsContact N-O 3.12Å; D750-D754 WeakPolarHBondContact OD1-CB 3.31Å; D750-D754 PolarHBondContact OD1-N 3.45Å; D754-H758 HydrophobicContact CB-CB 3.79Å; D754-H758 WeakPolarHBondContact OD1-CB 3.49Å; D754-H758 IonicContact OD1-CD2 2.87Å; D754-H758 IonicContact OD1-CG 2.92Å; D754-V759 HydrophobicContact CB-CG2 4.19Å; D754-N818 WeakPolarHBondContact OD1-CB 3.37Å; D754-N818 PolarHBondContact OD1-ND2 2.86Å
755	T	94.5	Very high	87.6	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-77.9	168.6	170.9	68.5	0	0	0	0	111.3	M748 M757 H758 V759 Y816	M748-T755 WeakPolarHBondContact O-CA 3.24Å; T755-M757 PolarHBondContact O-N 2.89Å; T755-H758 PolarHBondContact N-ND1 2.86Å; T755-H758 WeakPolarHBondContact O-CB 3.37Å; T755-H758 PolarHBondContact O-N 2.88Å; T755-H758 PolarHBondContact OG1-ND1 2.96Å; T755-V759 WeakPolarHBondContact O-CG2 3.47Å; T755-V759 PolarHBondContact O-N 3.37Å; T755-Y816 HydrophobicContact CG2-CD1 3.76Å; T755-Y816 HydrophobicContact CG2-CE1 4.14Å
756	A	93.2	Very high	86.1	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-51	-35	174.1	0	0	0	0	0	112.6	L724 Q725 V728 V759 A760 L807	L724-A756 HydrophobicContact CD2-CB 4.2Å; L724-A756 HydrophobicContact CG-CB 4.24Å; Q725-A756 HydrophobicContact CG-CB 4.18Å; V728-A756 WeakPolarHBondContact CG1-O 3.18Å; V728-A756 HydrophobicContact CG2-CB 4.31Å; A756-V759 PolarHBondContact O-N 2.72Å; A756-A760 PolarHBondContact O-N 3.48Å; A756-L807 HydrophobicContact CB-CD1 3.88Å
757	M	92.2	Very high	84.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.7	-38.9	177.3	-163.4	177.5	-172.9	0	0	113.4	T755 V759 A760 L761 A804 L807 A808 A812 I814 P824 I837	T755-M757 PolarHBondContact O-N 2.89Å; M757-V759 VanDerWaalsContact C-N 3.34Å; M757-A760 PolarHBondContact O-N 3.23Å; M757-L761 HydrophobicContact CG-CD1 4.33Å; M757-L761 WeakPolarHBondContact O-CG 3.28Å; M757-L761 PolarHBondContact O-N 3.42Å; M757-A804 HydrophobicContact CE-CB 4.17Å; M757-A804 HydrophobicContact CG-CB 4.4Å; M757-L807 HydrophobicContact CB-CD1 4.33Å; M757-A808 HydrophobicContact CE-CB 4.13Å; M757-A812 HydrophobicContact CB-CB 4.45Å; M757-A812 HydrophobicContact SD-CB 4.01Å; M757-I814 HydrophobicContact CE-CG2 3.86Å; M757-I814 HydrophobicContact SD-CG2 3.97Å; M757-P824 HydrophobicContact CB-CB 4.44Å; M757-P824 HydrophobicContact CB-CG 4.29Å; M757-P824 HydrophobicContact CE-CB 4.3Å; M757-P824 HydrophobicContact CG-CB 3.9Å; M757-P824 HydrophobicContact CG-CG 4.23Å; M757-P824 HydrophobicContact SD-CB 3.8Å; M757-P824 HydrophobicContact SD-CG 4.06Å; M757-I837 HydrophobicContact CE-CB 4.46Å; M757-I837 HydrophobicContact CE-CD1 4.03Å; M757-I837 HydrophobicContact CE-CG1 4.28Å; M757-I837 HydrophobicContact CE-CG2 3.38Å
758	H	91.9	Very high	82.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-48.2	172	-70.7	85.9	0	0	0	110.5	D754 T755 A760 L761 L762 Y816 K822 P824 L827	D754-H758 HydrophobicContact CB-CB 3.79Å; D754-H758 WeakPolarHBondContact OD1-CB 3.49Å; D754-H758 IonicContact OD1-CD2 2.87Å; D754-H758 IonicContact OD1-CG 2.92Å; T755-H758 PolarHBondContact N-ND1 2.86Å; T755-H758 WeakPolarHBondContact O-CB 3.37Å; T755-H758 PolarHBondContact O-N 2.88Å; T755-H758 PolarHBondContact OG1-ND1 2.96Å; H758-A760 VanDerWaalsContact C-N 3.33Å; H758-A760 PolarHBondContact O-N 2.82Å; H758-L761 PolarHBondContact O-N 2.88Å; H758-L761 VanDerWaalsContact O-N 3.13Å; H758-L762 HydrophobicContact CB-CD1 4.41Å; H758-L762 WeakPolarHBondContact O-CB 3.26Å; H758-L762 VanDerWaalsContact O-CG 3.28Å; H758-L762 WeakPolarHBondContact O-CG 3.3Å; H758-L762 PolarHBondContact O-N 3.04Å; H758-Y816 AromaticContact CE1-CD1 3.95Å; H758-Y816 PolarHBondContact CE1-O 3.43Å; H758-Y816 VanDerWaalsContact CE1-O 3.25Å; H758-Y816 PolarHBondContact NE2-O 3.07Å; H758-K822 PolarHBondContact NE2-O 2.91Å; H758-P824 WeakPolarHBondContact CE1-CD 3.44Å; H758-P824 WeakPolarHBondContact NE2-CD 3.4Å; H758-L827 HydrophobicContact CB-CD1 4.4Å
759	V	90.1	Very high	81.3	Confident	13 Å²	13	46.4 Å²	46.4	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-42	-179.3	175.8	0	0	0	0	111.7	V728 T729 D754 T755 A756 M757 L761 R763	V728-V759 HydrophobicContact CG1-CB 4.47Å; V728-V759 HydrophobicContact CG1-CG1 4.3Å; T729-V759 WeakPolarHBondContact OG1-CG1 3.34Å; D754-V759 HydrophobicContact CB-CG2 4.19Å; T755-V759 WeakPolarHBondContact O-CG2 3.47Å; T755-V759 PolarHBondContact O-N 3.37Å; A756-V759 PolarHBondContact O-N 2.72Å; M757-V759 VanDerWaalsContact C-N 3.34Å; V759-L761 VanDerWaalsContact C-N 3.31Å; V759-L761 PolarHBondContact O-N 3.41Å; V759-R763 WeakPolarHBondContact O-CG 3.41Å
760	A	89.6	Confident	79.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-42	176.4	0	0	0	0	0	112.1	V728 A756 M757 H758 A800 I803	V728-A760 HydrophobicContact CG1-CB 3.67Å; A756-A760 PolarHBondContact O-N 3.48Å; M757-A760 PolarHBondContact O-N 3.23Å; H758-A760 VanDerWaalsContact C-N 3.33Å; H758-A760 PolarHBondContact O-N 2.82Å; A760-A800 VanDerWaalsContact O-CB 3.3Å; A760-A800 WeakPolarHBondContact O-CB 3.4Å; A760-I803 HydrophobicContact CB-CB 4.49Å; A760-I803 HydrophobicContact CB-CG2 4.07Å
761	L	87.7	Confident	77.9	Confident	28 Å²	28	50 Å²	50	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-86.4	-24.4	-173.7	-63.7	173.1	0	0	0	113.7	M757 H758 V759 M801 A804 P824 L827 V828 I837	M757-L761 HydrophobicContact CG-CD1 4.33Å; M757-L761 WeakPolarHBondContact O-CG 3.28Å; M757-L761 PolarHBondContact O-N 3.42Å; H758-L761 PolarHBondContact O-N 2.88Å; H758-L761 VanDerWaalsContact O-N 3.13Å; V759-L761 VanDerWaalsContact C-N 3.31Å; V759-L761 PolarHBondContact O-N 3.41Å; L761-M801 HydrophobicContact CD2-SD 3.77Å; L761-A804 HydrophobicContact CD1-CB 4.46Å; L761-A804 HydrophobicContact CD2-CB 3.78Å; L761-A804 HydrophobicContact CG-CB 4.13Å; L761-P824 HydrophobicContact CD1-CB 3.94Å; L761-P824 VanDerWaalsContact CD1-O 3.27Å; L761-P824 WeakPolarHBondContact CD1-O 3.33Å; L761-L827 HydrophobicContact CB-CB 4.17Å; L761-L827 HydrophobicContact CB-CD1 4.3Å; L761-V828 HydrophobicContact CD1-CG2 3.81Å; L761-V828 HydrophobicContact CD2-CG2 4.02Å; L761-V828 HydrophobicContact CG-CG2 4.46Å; L761-I837 HydrophobicContact CD1-CD1 4.43Å
762	L	84.4	Confident	75.7	Confident	79 Å²	79	50 Å²	50	41%	0.414	27%	0.271	S	S	.	.	H	α-helix	trans	-77.1	-17.8	178.9	-76.7	171.2	0	0	0	114.1	H758 P764 L827	H758-L762 HydrophobicContact CB-CD1 4.41Å; H758-L762 WeakPolarHBondContact O-CB 3.26Å; H758-L762 VanDerWaalsContact O-CG 3.28Å; H758-L762 WeakPolarHBondContact O-CG 3.3Å; H758-L762 PolarHBondContact O-N 3.04Å; L762-P764 VanDerWaalsContact O-CD 3.27Å; L762-P764 WeakPolarHBondContact O-CD 3.41Å; L762-L827 HydrophobicContact CD1-CD1 4.33Å; L762-L827 HydrophobicContact CD2-CD1 3.8Å; L762-L827 HydrophobicContact CD2-CD2 3.59Å; L762-L827 HydrophobicContact CD2-CG 4.27Å; L762-L827 HydrophobicContact CG-CD1 3.67Å; L762-L827 HydrophobicContact CG-CD2 4.42Å
763	R	76.6	Confident	73.4	Confident	89 Å²	89	52.4 Å²	52.4	34%	0.336	29%	0.291	S	S	.	.			trans	-92.4	107.7	-169.7	-81.1	-89.3	172.5	132.4	-5.1	112.3	T729 V759 Q765 L766 A767	T729-R763 VanDerWaalsContact CG2-NH2 3.29Å; T729-R763 PolarHBondContact O-NH1 3.35Å; V759-R763 WeakPolarHBondContact O-CG 3.41Å; R763-Q765 VanDerWaalsContact C-N 3.26Å; R763-Q765 PolarHBondContact O-N 2.79Å; R763-L766 HydrophobicContact CB-CB 4.42Å; R763-L766 HydrophobicContact CB-CD1 3.92Å; R763-L766 HydrophobicContact CB-CG 4.11Å; R763-L766 PolarHBondContact O-N 2.99Å; R763-A767 PolarHBondContact O-N 3.29Å
764	P	60.4	Low	70.6	Confident	88 Å²	88	56.5 Å²	56.5	57%	0.571	32%	0.32	S	S	*	.	H	α-helix	trans	-66.6	-26.6	-178.4	-19.3	33.6	0	0	0	113.5	L762 L766 A767 N768	L762-P764 VanDerWaalsContact O-CD 3.27Å; L762-P764 WeakPolarHBondContact O-CD 3.41Å; P764-L766 VanDerWaalsContact C-N 3.29Å; P764-L766 PolarHBondContact O-N 3.39Å; P764-A767 PolarHBondContact O-N 2.9Å; P764-N768 PolarHBondContact O-N 2.79Å
765	Q	61.1	Low	68.1	Low	129 Å²	129	61.2 Å²	61.2	60%	0.603	36%	0.36	S	S	*	.	H	α-helix	trans	-65.3	-32.9	178.6	-64.1	120.7	-2.7	0	0	112.3	R763	R763-Q765 VanDerWaalsContact C-N 3.26Å; R763-Q765 PolarHBondContact O-N 2.79Å
766	L	60.3	Low	65.4	Low	14 Å²	14	65.3 Å²	65.3	7%	0.073	40%	0.403	C	S	.	.	H	α-helix	trans	-80.1	-23.8	176.9	-61.9	177	0	0	0	112.3	V728 R763 P764 N768 V799 A800	V728-L766 VanDerWaalsContact O-CD1 3.28Å; V728-L766 WeakPolarHBondContact O-CD1 3.43Å; R763-L766 HydrophobicContact CB-CB 4.42Å; R763-L766 HydrophobicContact CB-CD1 3.92Å; R763-L766 HydrophobicContact CB-CG 4.11Å; R763-L766 PolarHBondContact O-N 2.99Å; P764-L766 VanDerWaalsContact C-N 3.29Å; P764-L766 PolarHBondContact O-N 3.39Å; L766-N768 VanDerWaalsContact C-N 3.35Å; L766-V799 HydrophobicContact CD2-CG1 4.49Å; L766-A800 HydrophobicContact CB-CB 3.8Å; L766-A800 PolarHBondContact O-N 3.33Å
767	A	60.4	Low	62.6	Low	40 Å²	40	67.5 Å²	67.5	33%	0.331	43%	0.425	S	S	.	.	H	α-helix	trans	-73.8	-24.9	177.5	0	0	0	0	0	113.3	R763 P764 N798	R763-A767 PolarHBondContact O-N 3.29Å; P764-A767 PolarHBondContact O-N 2.9Å; A767-N798 WeakPolarHBondContact CA-ND2 3.42Å; A767-N798 WeakPolarHBondContact O-CB 3.3Å; A767-N798 PolarHBondContact O-ND2 3.47Å
768	N	57.3	Low	60.1	Low	137 Å²	137	72.1 Å²	72.1	73%	0.733	46%	0.458	S	S	*	.	S	Bend	trans	-91.9	-7.2	-177.4	-68.7	-15.2	0	0	0	114.3	P764 L766	P764-N768 PolarHBondContact O-N 2.79Å; L766-N768 VanDerWaalsContact C-N 3.35Å
769	V	58.8	Low	57.9	Low	79 Å²	79	75.8 Å²	75.8	48%	0.479	48%	0.484	S	S	.	.			trans	-94.6	106.4	177.5	-178.9	0	0	0	0	109	N798 V799	V769-N798 WeakPolarHBondContact O-CA 3.2Å; V769-N798 WeakPolarHBondContact O-CB 3.49Å; V769-V799 HydrophobicContact CB-CG2 4.13Å; V769-V799 HydrophobicContact CG1-CG2 3.87Å; V769-V799 PolarHBondContact O-N 3.29Å
770	M	56.6	Low	55.9	Low	100 Å²	100	77.1 Å²	77.1	49%	0.493	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-78.5	138.1	175	-61.3	-116.1	87.5	0	0	110.3	T772 N798	M770-T772 PolarHBondContact O-N 3.23Å; M770-N798 HydrophobicContact CE-CB 4.45Å
771	L	54.7	Low	53.9	Low	53 Å²	53	84.2 Å²	84.2	28%	0.277	52%	0.52	S	S	.	.			trans	-78.3	101.2	173.7	-72.4	161.8	0	0	0	109.2	V783 L797 V799 A802	L771-V783 HydrophobicContact CD1-CG2 3.76Å; L771-V783 HydrophobicContact CD2-CG2 4.19Å; L771-V783 HydrophobicContact CG-CG2 4.41Å; L771-L797 WeakPolarHBondContact CB-O 3.44Å; L771-L797 HydrophobicContact CD1-CB 4.44Å; L771-L797 WeakPolarHBondContact CD1-O 3.37Å; L771-L797 PolarHBondContact N-O 3.36Å; L771-V799 HydrophobicContact CD2-CG2 3.97Å; L771-V799 HydrophobicContact CG-CG2 4.12Å; L771-A802 HydrophobicContact CD1-CB 3.7Å
772	T	46.2	Very low	52	Low	107 Å²	107	84 Å²	84	66%	0.656	52%	0.524	S	S	*	.			trans	-87.7	133.8	174.9	58.6	0	0	0	0	110.7	M770 S774	M770-T772 PolarHBondContact O-N 3.23Å; T772-S774 PolarHBondContact O-N 3.24Å
773	P	42.5	Very low	50.4	Low	132 Å²	132	82.5 Å²	82.5	86%	0.857	52%	0.518	S	S	*	.			trans	-77.7	76.7	170.8	30.7	-30.3	0	0	0	108.9
774	S	32.3	Very low	49.2	Very low	87 Å²	87	85.1 Å²	85.1	61%	0.608	53%	0.528	S	S	*	.			trans	-90.4	131.7	171	-170.5	0	0	0	0	110.4	T772 G776	T772-S774 PolarHBondContact O-N 3.24Å; S774-G776 PolarHBondContact O-N 2.93Å
775	A	38.8	Very low	48.6	Very low	107 Å²	107	84.3 Å²	84.3	88%	0.884	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	112.4	174.6	0	0	0	0	0	110
776	G	38.5	Very low	48.3	Very low	88 Å²	88	78.3 Å²	78.3	91%	0.907	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.8	13.9	156.4	0	0	0	0	0	119.8	S774	S774-G776 PolarHBondContact O-N 2.93Å
777	G	34.9	Very low	48	Very low	47 Å²	47	81.9 Å²	81.9	49%	0.485	51%	0.51	S	S	.	.	S	Bend	trans	-137.5	142.7	173.8	0	0	0	0	0	112.8	S779	G777-S779 PolarHBondContact O-N 3.3Å
778	S	39.6	Very low	47.4	Very low	97 Å²	97	84.4 Å²	84.4	68%	0.678	53%	0.525	S	S	*	.	S	Bend	trans	-53.4	-1.6	-168.1	-72.6	0	0	0	0	119	T780	S778-T780 PolarHBondContact O-N 3.44Å
779	S	44.3	Very low	47.4	Very low	78 Å²	78	78.7 Å²	78.7	55%	0.545	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	28.8	-173.4	65.1	0	0	0	0	115.5	G777	G777-S779 PolarHBondContact O-N 3.3Å
780	T	48.2	Very low	47.2	Very low	40 Å²	40	78.2 Å²	78.2	25%	0.245	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	3.9	-166.6	55	0	0	0	0	115.7	S778 R784	S778-T780 PolarHBondContact O-N 3.44Å; T780-R784 VanDerWaalsContact O-CG 3.29Å; T780-R784 WeakPolarHBondContact O-CG 3.12Å; T780-R784 PolarHBondContact O-N 3.2Å
781	Y	49	Very low	47.2	Very low	150 Å²	150	76.5 Å²	76.5	59%	0.588	50%	0.499	S	S	*	.	H	α-helix	trans	-79.7	-40.7	-176.3	-77.5	-81.6	0	0	0	114.2	V783 R784 L785	Y781-V783 VanDerWaalsContact C-N 3.34Å; Y781-V783 PolarHBondContact O-N 3.09Å; Y781-R784 WeakPolarHBondContact O-CB 3.1Å; Y781-R784 PolarHBondContact O-N 2.99Å; Y781-R784 VanDerWaalsContact O-N 3.15Å; Y781-L785 PolarHBondContact O-N 2.86Å
782	G	47.2	Very low	47.3	Very low	24 Å²	24	75 Å²	75	25%	0.247	49%	0.491	C	S	.	.	H	α-helix	trans	-62.8	-36.4	177.8	0	0	0	0	0	113.8	L785 L786	G782-L785 PolarHBondContact O-N 2.66Å; G782-L786 PolarHBondContact O-N 3.46Å
783	V	51.8	Low	47.9	Very low	46 Å²	46	72.5 Å²	72.5	28%	0.279	49%	0.487	S	S	.	.	H	α-helix	trans	-69.7	-33.1	175.3	-178.3	0	0	0	0	111.7	L771 Y781 L785 L786 N787	L771-V783 HydrophobicContact CD1-CG2 3.76Å; L771-V783 HydrophobicContact CD2-CG2 4.19Å; L771-V783 HydrophobicContact CG-CG2 4.41Å; Y781-V783 VanDerWaalsContact C-N 3.34Å; Y781-V783 PolarHBondContact O-N 3.09Å; V783-L785 VanDerWaalsContact C-N 3.34Å; V783-L785 PolarHBondContact O-N 3.12Å; V783-L786 PolarHBondContact O-N 3.08Å; V783-N787 VanDerWaalsContact O-CB 3.29Å; V783-N787 WeakPolarHBondContact O-CB 3.38Å; V783-N787 PolarHBondContact O-N 2.85Å
784	R	50.9	Low	48.4	Very low	145 Å²	145	74.7 Å²	74.7	55%	0.547	49%	0.492	S	S	.	.	H	α-helix	trans	-65.9	-33.6	176.1	-76.1	173.4	-176.3	-175.3	2.3	112.5	T780 Y781 S788	T780-R784 VanDerWaalsContact O-CG 3.29Å; T780-R784 WeakPolarHBondContact O-CG 3.12Å; T780-R784 PolarHBondContact O-N 3.2Å; Y781-R784 WeakPolarHBondContact O-CB 3.1Å; Y781-R784 PolarHBondContact O-N 2.99Å; Y781-R784 VanDerWaalsContact O-N 3.15Å; R784-S788 WeakPolarHBondContact O-CB 3.45Å; R784-S788 PolarHBondContact O-N 3.13Å; R784-S788 PolarHBondContact O-OG 3.12Å
785	L	47.6	Very low	49.5	Very low	70 Å²	70	73.9 Å²	73.9	37%	0.366	48%	0.483	S	S	.	.	H	α-helix	trans	-73.3	-38.1	176.9	-137.6	84.4	0	0	0	112.3	Y781 G782 V783 S788 S789 F806	Y781-L785 PolarHBondContact O-N 2.86Å; G782-L785 PolarHBondContact O-N 2.66Å; V783-L785 VanDerWaalsContact C-N 3.34Å; V783-L785 PolarHBondContact O-N 3.12Å; L785-S788 VanDerWaalsContact CA-OG 3.3Å; L785-S788 WeakPolarHBondContact CA-OG 3.42Å; L785-S788 PolarHBondContact O-OG 3.39Å; L785-S789 PolarHBondContact O-OG 3.47Å; L785-F806 HydrophobicContact CD2-CE2 4.37Å
786	L	54.8	Low	50.6	Low	3 Å²	3	75.8 Å²	75.8	2%	0.016	47%	0.474	C	S	.	.	H	α-helix	trans	-70.2	-39	173.9	-63.1	166.8	0	0	0	111.2	G782 V783 S789 L792 L797 A802 C805 F840	G782-L786 PolarHBondContact O-N 3.46Å; V783-L786 PolarHBondContact O-N 3.08Å; L786-S789 WeakPolarHBondContact O-CB 3.38Å; L786-S789 PolarHBondContact O-N 3.32Å; L786-S789 VanDerWaalsContact O-N 3.12Å; L786-L792 HydrophobicContact CB-CD1 3.4Å; L786-L797 HydrophobicContact CD1-CD1 4.38Å; L786-A802 HydrophobicContact CD1-CB 3.96Å; L786-C805 HydrophobicContact CD2-CB 3.83Å; L786-F840 HydrophobicContact CB-CZ 4.29Å; L786-F840 HydrophobicContact CD2-CD1 4.1Å; L786-F840 HydrophobicContact CD2-CE1 3.5Å; L786-F840 VanDerWaalsContact CD2-CE1 3.5Å; L786-F840 HydrophobicContact CD2-CE2 4.37Å; L786-F840 HydrophobicContact CD2-CZ 3.66Å
787	N	53	Low	52	Low	90 Å²	90	72.2 Å²	72.2	48%	0.481	43%	0.434	S	S	.	.	H	α-helix	trans	-67.7	-34.5	176.6	-81.3	-4.2	0	0	0	113	V783 S789 G790 L792	V783-N787 VanDerWaalsContact O-CB 3.29Å; V783-N787 WeakPolarHBondContact O-CB 3.38Å; V783-N787 PolarHBondContact O-N 2.85Å; N787-S789 PolarHBondContact O-N 2.84Å; N787-G790 PolarHBondContact O-N 2.63Å; N787-L792 WeakPolarHBondContact OD1-CD1 3.28Å
788	S	49.4	Very low	53.9	Low	92 Å²	92	71.5 Å²	71.5	64%	0.643	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.3	173.7	43.5	0	0	0	0	113.2	R784 L785	R784-S788 WeakPolarHBondContact O-CB 3.45Å; R784-S788 PolarHBondContact O-N 3.13Å; R784-S788 PolarHBondContact O-OG 3.12Å; L785-S788 VanDerWaalsContact CA-OG 3.3Å; L785-S788 WeakPolarHBondContact CA-OG 3.42Å; L785-S788 PolarHBondContact O-OG 3.39Å
789	S	55.8	Low	55.8	Low	18 Å²	18	67.6 Å²	67.6	13%	0.126	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.5	173.7	-64.4	0	0	0	0	114.8	L785 L786 N787 L791 K843	L785-S789 PolarHBondContact O-OG 3.47Å; L786-S789 WeakPolarHBondContact O-CB 3.38Å; L786-S789 PolarHBondContact O-N 3.32Å; L786-S789 VanDerWaalsContact O-N 3.12Å; N787-S789 PolarHBondContact O-N 2.84Å; S789-L791 PolarHBondContact O-N 3.2Å; S789-L791 VanDerWaalsContact O-N 3.1Å; S789-K843 PolarHBondContact OG-NZ 3.28Å
790	G	55.8	Low	57.5	Low	69 Å²	69	64 Å²	64	71%	0.711	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	1.4	180	0	0	0	0	0	115.2	N787	N787-G790 PolarHBondContact O-N 2.63Å
791	L	56.2	Low	59.2	Low	63 Å²	63	62.8 Å²	62.8	33%	0.33	36%	0.358	S	S	.	.			trans	-90.9	-16.7	-179.4	-72.4	168	0	0	0	113	S789 N839 F840 K843	S789-L791 PolarHBondContact O-N 3.2Å; S789-L791 VanDerWaalsContact O-N 3.1Å; L791-N839 HydrophobicContact CD1-CB 4.25Å; L791-N839 HydrophobicContact CD2-CB 4.19Å; L791-F840 HydrophobicContact CB-CE2 4.25Å; L791-F840 HydrophobicContact CB-CZ 4.13Å; L791-F840 HydrophobicContact CD1-CD1 4.32Å; L791-F840 HydrophobicContact CD1-CE1 4.31Å; L791-F840 HydrophobicContact CD1-CG 4.43Å; L791-F840 HydrophobicContact CD1-CZ 4.4Å; L791-K843 HydrophobicContact CD1-CD 4.26Å
792	L	57.6	Low	60.8	Low	21 Å²	21	56 Å²	56	11%	0.11	33%	0.333	C	S	.	.			trans	-92.1	107.2	172.4	-75.1	168.4	0	0	0	108.3	L786 N787 L797 L836 F840	L786-L792 HydrophobicContact CB-CD1 3.4Å; N787-L792 WeakPolarHBondContact OD1-CD1 3.28Å; L792-L797 HydrophobicContact CD1-CD1 3.97Å; L792-L797 HydrophobicContact CD2-CD1 3.54Å; L792-L797 HydrophobicContact CD2-CD2 4.32Å; L792-L797 HydrophobicContact CD2-CG 3.86Å; L792-L797 HydrophobicContact CG-CD1 4.4Å; L792-L836 HydrophobicContact CD2-CD1 4.48Å; L792-L836 HydrophobicContact CD2-CD2 4.11Å; L792-F840 HydrophobicContact CG-CZ 4.42Å
793	G	57.3	Low	62.7	Low	56 Å²	56	55.2 Å²	55.2	58%	0.577	32%	0.323	S	S	*	.	S	Bend	trans	-73.1	-138.3	163.5	0	0	0	0	0	110.5	T795	G793-T795 PolarHBondContact O-N 3.15Å
794	N	53.5	Low	64.5	Low	178 Å²	178	53 Å²	53	95%	0.952	31%	0.31	S	S	*	.	S	Bend	trans	-77	27.8	172.7	-68.7	-2.8	0	0	0	113.4	E796	N794-E796 PolarHBondContact O-N 3.46Å
795	T	56.5	Low	66.2	Low	70 Å²	70	46.1 Å²	46.1	43%	0.429	28%	0.283	S	S	.	.			trans	-87.2	114	-170.9	-35.1	0	0	0	0	110.1	G793 L797 M833	G793-T795 PolarHBondContact O-N 3.15Å; T795-L797 PolarHBondContact O-N 3.21Å; T795-M833 HydrophobicContact CG2-CE 4.06Å
796	E	60.4	Low	68.1	Low	147 Å²	147	43.4 Å²	43.4	69%	0.687	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-72.6	122	174.4	-66.8	-175.6	168.6	0	0	110.2	N794	N794-E796 PolarHBondContact O-N 3.46Å
797	L	67.4	Low	69.8	Low	13 Å²	13	43.2 Å²	43.2	7%	0.068	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-99.9	142.3	175.6	-66.5	178.1	0	0	0	110.7	L771 L786 L792 T795 M801 A802 M833 L836	L771-L797 WeakPolarHBondContact CB-O 3.44Å; L771-L797 HydrophobicContact CD1-CB 4.44Å; L771-L797 WeakPolarHBondContact CD1-O 3.37Å; L771-L797 PolarHBondContact N-O 3.36Å; L786-L797 HydrophobicContact CD1-CD1 4.38Å; L792-L797 HydrophobicContact CD1-CD1 3.97Å; L792-L797 HydrophobicContact CD2-CD1 3.54Å; L792-L797 HydrophobicContact CD2-CD2 4.32Å; L792-L797 HydrophobicContact CD2-CG 3.86Å; L792-L797 HydrophobicContact CG-CD1 4.4Å; T795-L797 PolarHBondContact O-N 3.21Å; L797-M801 HydrophobicContact CD2-CB 4.08Å; L797-A802 HydrophobicContact CD1-CB 4.45Å; L797-M833 HydrophobicContact CD2-SD 4.09Å; L797-L836 HydrophobicContact CD1-CD2 4.44Å; L797-L836 HydrophobicContact CD2-CD2 3.6Å
798	N	75.5	Confident	71.5	Confident	32 Å²	32	39 Å²	39	17%	0.171	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-81.2	164.6	162.2	64.7	27.1	0	0	0	110.4	A767 V769 M770 A800 M801 A802	A767-N798 WeakPolarHBondContact CA-ND2 3.42Å; A767-N798 WeakPolarHBondContact O-CB 3.3Å; A767-N798 PolarHBondContact O-ND2 3.47Å; V769-N798 WeakPolarHBondContact O-CA 3.2Å; V769-N798 WeakPolarHBondContact O-CB 3.49Å; M770-N798 HydrophobicContact CE-CB 4.45Å; N798-A800 VanDerWaalsContact C-N 3.3Å; N798-A800 PolarHBondContact O-N 3.4Å; N798-M801 PolarHBondContact O-N 3.07Å; N798-M801 WeakPolarHBondContact OD1-CB 3.44Å; N798-M801 WeakPolarHBondContact OD1-CG 3.23Å; N798-M801 PolarHBondContact OD1-N 3.31Å; N798-A802 PolarHBondContact O-N 3.1Å
799	V	79	Confident	73.3	Confident	14 Å²	14	35.3 Å²	35.3	9%	0.085	22%	0.218	C	C	.	.	H	α-helix	trans	-58.9	-41.2	-176.2	177.6	0	0	0	0	111.8	T733 L766 V769 L771 M801 A802 I803	T733-V799 HydrophobicContact CG2-CG1 4.02Å; L766-V799 HydrophobicContact CD2-CG1 4.49Å; V769-V799 HydrophobicContact CB-CG2 4.13Å; V769-V799 HydrophobicContact CG1-CG2 3.87Å; V769-V799 PolarHBondContact O-N 3.29Å; L771-V799 HydrophobicContact CD2-CG2 3.97Å; L771-V799 HydrophobicContact CG-CG2 4.12Å; V799-M801 PolarHBondContact O-N 3.11Å; V799-A802 PolarHBondContact O-N 2.94Å; V799-I803 HydrophobicContact CG1-CD1 3.82Å; V799-I803 HydrophobicContact CG1-CG1 4.4Å; V799-I803 WeakPolarHBondContact O-CG1 3.36Å; V799-I803 PolarHBondContact O-N 3.29Å
800	A	81.6	Confident	74.8	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-49.4	176.5	0	0	0	0	0	112.4	A760 L766 N798 I803 A804	A760-A800 VanDerWaalsContact O-CB 3.3Å; A760-A800 WeakPolarHBondContact O-CB 3.4Å; L766-A800 HydrophobicContact CB-CB 3.8Å; L766-A800 PolarHBondContact O-N 3.33Å; N798-A800 VanDerWaalsContact C-N 3.3Å; N798-A800 PolarHBondContact O-N 3.4Å; A800-I803 PolarHBondContact O-N 2.92Å; A800-A804 WeakPolarHBondContact O-CB 3.36Å; A800-A804 PolarHBondContact O-N 2.87Å
801	M	83.1	Confident	76.2	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.069	20%	0.2	C	C	.	.	H	α-helix	trans	-69.4	-36.3	-179.5	-72.3	-56.2	-50.1	0	0	112.2	L761 L797 N798 V799 A804 C805 M833 I837	L761-M801 HydrophobicContact CD2-SD 3.77Å; L797-M801 HydrophobicContact CD2-CB 4.08Å; N798-M801 PolarHBondContact O-N 3.07Å; N798-M801 WeakPolarHBondContact OD1-CB 3.44Å; N798-M801 WeakPolarHBondContact OD1-CG 3.23Å; N798-M801 PolarHBondContact OD1-N 3.31Å; V799-M801 PolarHBondContact O-N 3.11Å; M801-A804 PolarHBondContact O-N 3.1Å; M801-C805 WeakPolarHBondContact O-CB 3.35Å; M801-C805 PolarHBondContact O-N 3.36Å; M801-C805 PolarHBondContact O-SG 3.45Å; M801-M833 HydrophobicContact CE-CB 3.61Å; M801-M833 HydrophobicContact CE-CG 4.19Å; M801-M833 HydrophobicContact CE-SD 4.05Å; M801-M833 HydrophobicContact CG-SD 4.3Å; M801-M833 HydrophobicContact SD-CB 4.18Å; M801-I837 HydrophobicContact CE-CD1 3.57Å; M801-I837 HydrophobicContact CE-CG1 3.85Å; M801-I837 HydrophobicContact SD-CD1 4.45Å
802	A	83.1	Confident	77.8	Confident	8 Å²	8	31.8 Å²	31.8	7%	0.066	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-46.2	174.9	0	0	0	0	0	111.5	L771 L786 L797 N798 V799 C805 F806	L771-A802 HydrophobicContact CD1-CB 3.7Å; L786-A802 HydrophobicContact CD1-CB 3.96Å; L797-A802 HydrophobicContact CD1-CB 4.45Å; N798-A802 PolarHBondContact O-N 3.1Å; V799-A802 PolarHBondContact O-N 2.94Å; A802-C805 PolarHBondContact O-N 3.26Å; A802-F806 WeakPolarHBondContact O-CB 3.4Å; A802-F806 PolarHBondContact O-N 2.91Å
803	I	86.9	Confident	79.3	Confident	6 Å²	6	33.6 Å²	33.6	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-44.6	175	-67.3	171	0	0	0	110.4	V728 T733 A760 V799 A800 C805 F806 L807	V728-I803 HydrophobicContact CG1-CG2 3.99Å; V728-I803 HydrophobicContact CG2-CG2 3.92Å; T733-I803 HydrophobicContact CG2-CD1 4.25Å; T733-I803 HydrophobicContact CG2-CG1 4.17Å; A760-I803 HydrophobicContact CB-CB 4.49Å; A760-I803 HydrophobicContact CB-CG2 4.07Å; V799-I803 HydrophobicContact CG1-CD1 3.82Å; V799-I803 HydrophobicContact CG1-CG1 4.4Å; V799-I803 WeakPolarHBondContact O-CG1 3.36Å; V799-I803 PolarHBondContact O-N 3.29Å; A800-I803 PolarHBondContact O-N 2.92Å; I803-C805 PolarHBondContact O-N 2.66Å; I803-F806 PolarHBondContact O-N 3.41Å; I803-L807 HydrophobicContact CG2-CD1 3.78Å; I803-L807 HydrophobicContact CG2-CG 4.16Å; I803-L807 WeakPolarHBondContact O-CB 3.36Å; I803-L807 VanDerWaalsContact O-CG 3.28Å; I803-L807 WeakPolarHBondContact O-CG 3.45Å; I803-L807 PolarHBondContact O-N 2.89Å
804	A	89.3	Confident	80.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-41.3	178.5	0	0	0	0	0	112.6	M757 L761 A800 M801 A808 I837	M757-A804 HydrophobicContact CE-CB 4.17Å; M757-A804 HydrophobicContact CG-CB 4.4Å; L761-A804 HydrophobicContact CD1-CB 4.46Å; L761-A804 HydrophobicContact CD2-CB 3.78Å; L761-A804 HydrophobicContact CG-CB 4.13Å; A800-A804 WeakPolarHBondContact O-CB 3.36Å; A800-A804 PolarHBondContact O-N 2.87Å; M801-A804 PolarHBondContact O-N 3.1Å; A804-A808 WeakPolarHBondContact O-CB 3.23Å; A804-A808 PolarHBondContact O-N 3.42Å; A804-I837 HydrophobicContact CB-CD1 4.19Å
805	C	87.1	Confident	82.7	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-41	175.4	-67.8	0	0	0	0	111.7	L786 M801 A802 I803 A808 Q809 F840	L786-C805 HydrophobicContact CD2-CB 3.83Å; M801-C805 WeakPolarHBondContact O-CB 3.35Å; M801-C805 PolarHBondContact O-N 3.36Å; M801-C805 PolarHBondContact O-SG 3.45Å; A802-C805 PolarHBondContact O-N 3.26Å; I803-C805 PolarHBondContact O-N 2.66Å; C805-A808 PolarHBondContact O-N 3.33Å; C805-Q809 WeakPolarHBondContact O-CB 3.49Å; C805-Q809 PolarHBondContact O-N 2.69Å; C805-F840 HydrophobicContact CB-CD2 3.78Å; C805-F840 HydrophobicContact CB-CE2 4.05Å; C805-F840 HydrophobicContact CB-CG 4.15Å
806	F	87.3	Confident	84.3	Confident	13 Å²	13	27.9 Å²	27.9	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-49.7	175	172.4	-108.9	0	0	0	111.5	V736 Q737 V740 L785 A802 I803 A808 Q809 E810	V736-F806 HydrophobicContact CG1-CD1 4.14Å; V736-F806 HydrophobicContact CG1-CE1 4.09Å; Q737-F806 VanDerWaalsContact CD-CZ 3.49Å; V740-F806 HydrophobicContact CB-CE1 4.03Å; V740-F806 HydrophobicContact CB-CZ 4.08Å; V740-F806 HydrophobicContact CG1-CE1 4.26Å; V740-F806 HydrophobicContact CG1-CZ 4.06Å; V740-F806 HydrophobicContact CG2-CE1 3.95Å; V740-F806 HydrophobicContact CG2-CZ 4.49Å; L785-F806 HydrophobicContact CD2-CE2 4.37Å; A802-F806 WeakPolarHBondContact O-CB 3.4Å; A802-F806 PolarHBondContact O-N 2.91Å; I803-F806 PolarHBondContact O-N 3.41Å; F806-A808 VanDerWaalsContact C-N 3.31Å; F806-A808 PolarHBondContact O-N 3.25Å; F806-Q809 CarbonylContact O-C 3.6Å; F806-Q809 WeakPolarHBondContact O-CA 3.17Å; F806-Q809 WeakPolarHBondContact O-CB 3.25Å; F806-Q809 PolarHBondContact O-N 3.13Å; F806-Q809 VanDerWaalsContact O-N 3.08Å; F806-E810 HydrophobicContact CD2-CG 4.16Å; F806-E810 HydrophobicContact CE1-CG 4.22Å; F806-E810 HydrophobicContact CE2-CG 3.6Å; F806-E810 HydrophobicContact CZ-CG 3.64Å; F806-E810 WeakPolarHBondContact O-CG 3.45Å; F806-E810 PolarHBondContact O-N 2.84Å
807	L	90.3	Very high	85.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-40.4	176.9	-68.5	173.7	0	0	0	111.6	L724 V728 V740 V746 A756 M757 I803 Q809 E810 G811 A812	L724-L807 HydrophobicContact CD2-CD2 4.49Å; V728-L807 HydrophobicContact CG2-CD1 4.41Å; V740-L807 HydrophobicContact CG2-CD2 4.38Å; V746-L807 HydrophobicContact CB-CD2 4.14Å; V746-L807 HydrophobicContact CG1-CD2 3.77Å; A756-L807 HydrophobicContact CB-CD1 3.88Å; M757-L807 HydrophobicContact CB-CD1 4.33Å; I803-L807 HydrophobicContact CG2-CD1 3.78Å; I803-L807 HydrophobicContact CG2-CG 4.16Å; I803-L807 WeakPolarHBondContact O-CB 3.36Å; I803-L807 VanDerWaalsContact O-CG 3.28Å; I803-L807 WeakPolarHBondContact O-CG 3.45Å; I803-L807 PolarHBondContact O-N 2.89Å; L807-Q809 VanDerWaalsContact C-N 3.32Å; L807-Q809 PolarHBondContact O-N 2.89Å; L807-E810 CarbonylContact O-C 3.48Å; L807-E810 PolarHBondContact O-N 3.03Å; L807-E810 VanDerWaalsContact O-N 3.15Å; L807-G811 PolarHBondContact O-N 3.33Å; L807-A812 HydrophobicContact CB-CB 3.96Å; L807-A812 WeakPolarHBondContact O-CB 3.19Å; L807-A812 PolarHBondContact O-N 3.5Å
808	A	89.5	Confident	86.9	Confident	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-38.6	174.7	0	0	0	0	0	112.3	M757 A804 C805 F806 E810 G811 I814 I837 F840	M757-A808 HydrophobicContact CE-CB 4.13Å; A804-A808 WeakPolarHBondContact O-CB 3.23Å; A804-A808 PolarHBondContact O-N 3.42Å; C805-A808 PolarHBondContact O-N 3.33Å; F806-A808 VanDerWaalsContact C-N 3.31Å; F806-A808 PolarHBondContact O-N 3.25Å; A808-E810 VanDerWaalsContact C-N 3.31Å; A808-G811 PolarHBondContact O-N 2.95Å; A808-I814 HydrophobicContact CB-CG2 4.24Å; A808-I837 HydrophobicContact CB-CG2 4.23Å; A808-F840 HydrophobicContact CB-CB 4.35Å
809	Q	86.3	Confident	87.7	Confident	16 Å²	16	27.5 Å²	27.5	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-30.6	174	-177.7	178.4	-33.2	0	0	112.5	C805 F806 L807 G811 F840 H844	C805-Q809 WeakPolarHBondContact O-CB 3.49Å; C805-Q809 PolarHBondContact O-N 2.69Å; F806-Q809 CarbonylContact O-C 3.6Å; F806-Q809 WeakPolarHBondContact O-CA 3.17Å; F806-Q809 WeakPolarHBondContact O-CB 3.25Å; F806-Q809 PolarHBondContact O-N 3.13Å; F806-Q809 VanDerWaalsContact O-N 3.08Å; L807-Q809 VanDerWaalsContact C-N 3.32Å; L807-Q809 PolarHBondContact O-N 2.89Å; Q809-G811 VanDerWaalsContact C-N 3.26Å; Q809-G811 PolarHBondContact O-N 3.23Å; Q809-F840 HydrophobicContact CB-CD1 4.2Å; Q809-H844 VanDerWaalsContact O-CB 3.24Å; Q809-H844 WeakPolarHBondContact O-CB 3.35Å; Q809-H844 PolarHBondContact O-CD2 3.26Å; Q809-H844 VanDerWaalsContact O-CG 3.3Å
810	E	86.6	Confident	88.2	Confident	51 Å²	51	33.1 Å²	33.1	24%	0.238	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	11.2	177.4	-64.1	-61.8	135.8	0	0	113	V740 V746 F806 L807 A808	V740-E810 HydrophobicContact CG1-CB 3.88Å; V740-E810 HydrophobicContact CG1-CG 3.75Å; V746-E810 HydrophobicContact CG1-CB 4.35Å; F806-E810 HydrophobicContact CD2-CG 4.16Å; F806-E810 HydrophobicContact CE1-CG 4.22Å; F806-E810 HydrophobicContact CE2-CG 3.6Å; F806-E810 HydrophobicContact CZ-CG 3.64Å; F806-E810 WeakPolarHBondContact O-CG 3.45Å; F806-E810 PolarHBondContact O-N 2.84Å; L807-E810 CarbonylContact O-C 3.48Å; L807-E810 PolarHBondContact O-N 3.03Å; L807-E810 VanDerWaalsContact O-N 3.15Å; A808-E810 VanDerWaalsContact C-N 3.31Å
811	G	85.9	Confident	88.6	Confident	21 Å²	21	35.5 Å²	35.5	22%	0.216	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	23.3	171	0	0	0	0	0	115.7	N747 L807 A808 Q809	N747-G811 PolarHBondContact ND2-O 2.79Å; L807-G811 PolarHBondContact O-N 3.33Å; A808-G811 PolarHBondContact O-N 2.95Å; Q809-G811 VanDerWaalsContact C-N 3.26Å; Q809-G811 PolarHBondContact O-N 3.23Å
812	A	90.6	Very high	88.9	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.025	22%	0.221	C	C	.	.			trans	-63.9	136.3	170.3	0	0	0	0	0	111.7	V746 N747 M757 L807 I814	V746-A812 HydrophobicContact CB-CB 4.47Å; V746-A812 HydrophobicContact CG2-CB 4.21Å; N747-A812 VanDerWaalsContact OD1-CA 3.26Å; N747-A812 WeakPolarHBondContact OD1-CA 3.49Å; M757-A812 HydrophobicContact CB-CB 4.45Å; M757-A812 HydrophobicContact SD-CB 4.01Å; L807-A812 HydrophobicContact CB-CB 3.96Å; L807-A812 WeakPolarHBondContact O-CB 3.19Å; L807-A812 PolarHBondContact O-N 3.5Å; A812-I814 PolarHBondContact O-N 2.89Å
813	D	89.1	Confident	89.4	Confident	59 Å²	59	40.1 Å²	40.1	32%	0.316	22%	0.222	S	C	.	.			trans	-76.4	105.2	176.1	-172.4	-10.5	0	0	0	110.2	N747 S815 Y816	N747-D813 PolarHBondContact OD1-N 2.94Å; D813-S815 PolarHBondContact O-N 3.21Å; D813-S815 WeakPolarHBondContact OD1-CA 3.43Å; D813-S815 WeakPolarHBondContact OD1-CB 3.37Å; D813-S815 PolarHBondContact OD1-N 2.94Å; D813-S815 PolarHBondContact OD1-OG 3.07Å; D813-Y816 PolarHBondContact OD1-N 3.34Å
814	I	91	Very high	89.5	Confident	24 Å²	24	39.8 Å²	39.8	12%	0.123	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.1	-180	69.6	178.7	0	0	0	113.2	M757 A808 A812 P824 L825 I837 K838	M757-I814 HydrophobicContact CE-CG2 3.86Å; M757-I814 HydrophobicContact SD-CG2 3.97Å; A808-I814 HydrophobicContact CB-CG2 4.24Å; A812-I814 PolarHBondContact O-N 2.89Å; I814-P824 WeakPolarHBondContact O-CD 3.47Å; I814-L825 HydrophobicContact CB-CD1 4.27Å; I814-L825 HydrophobicContact CB-CG 4.2Å; I814-L825 HydrophobicContact CD1-CD1 4.03Å; I814-L825 HydrophobicContact CG1-CD1 4.03Å; I814-L825 WeakPolarHBondContact O-CG 3.45Å; I814-I837 HydrophobicContact CB-CG2 4.41Å; I814-I837 HydrophobicContact CG2-CG2 3.79Å; I814-K838 HydrophobicContact CD1-CG 4.02Å
815	S	90.1	Very high	89.4	Confident	80 Å²	80	41 Å²	41	56%	0.559	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-7.7	-176.1	67.1	0	0	0	0	114.1	D813 A817	D813-S815 PolarHBondContact O-N 3.21Å; D813-S815 WeakPolarHBondContact OD1-CA 3.43Å; D813-S815 WeakPolarHBondContact OD1-CB 3.37Å; D813-S815 PolarHBondContact OD1-N 2.94Å; D813-S815 PolarHBondContact OD1-OG 3.07Å; S815-A817 PolarHBondContact O-N 3.02Å
816	Y	90.4	Very high	89.5	Confident	81 Å²	81	46 Å²	46	32%	0.318	25%	0.254	S	S	.	.			trans	-61.2	126.9	178.6	-177.5	-106.3	0	0	0	110.8	E749 G753 T755 H758 D813 S823 P824	E749-Y816 PolarHBondContact OE2-OH 3.48Å; G753-Y816 WeakPolarHBondContact O-CE1 3.34Å; T755-Y816 HydrophobicContact CG2-CD1 3.76Å; T755-Y816 HydrophobicContact CG2-CE1 4.14Å; H758-Y816 AromaticContact CE1-CD1 3.95Å; H758-Y816 PolarHBondContact CE1-O 3.43Å; H758-Y816 VanDerWaalsContact CE1-O 3.25Å; H758-Y816 PolarHBondContact NE2-O 3.07Å; D813-Y816 PolarHBondContact OD1-N 3.34Å; Y816-S823 VanDerWaalsContact O-CA 3.25Å; Y816-S823 WeakPolarHBondContact O-CA 2.97Å; Y816-P824 VanDerWaalsContact O-CD 3.23Å; Y816-P824 WeakPolarHBondContact O-CD 3.36Å
817	A	91.5	Very high	89.4	Confident	49 Å²	49	47.1 Å²	47.1	41%	0.405	26%	0.26	S	S	.	.			trans	-96.1	126.2	178.4	0	0	0	0	0	110.7	S815 K822	S815-A817 PolarHBondContact O-N 3.02Å; A817-K822 WeakPolarHBondContact CA-O 3.21Å
818	N	90.2	Very high	89.1	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.043	27%	0.265	C	S	.	.			trans	-67.1	-178.1	174	68	8.4	0	0	0	112.7	G753 D754 K820 G821 K822	G753-N818 WeakPolarHBondContact O-CA 3.37Å; G753-N818 VanDerWaalsContact O-CB 3.32Å; G753-N818 WeakPolarHBondContact O-CB 3.27Å; D754-N818 WeakPolarHBondContact OD1-CB 3.37Å; D754-N818 PolarHBondContact OD1-ND2 2.86Å; N818-K820 PolarHBondContact O-N 2.86Å; N818-K820 WeakPolarHBondContact OD1-CA 3.34Å; N818-K820 WeakPolarHBondContact OD1-CB 3.48Å; N818-K820 PolarHBondContact OD1-N 3.02Å; N818-G821 WeakPolarHBondContact O-CA 3.42Å; N818-G821 PolarHBondContact O-N 2.83Å; N818-G821 PolarHBondContact OD1-N 2.96Å; N818-K822 PolarHBondContact N-O 3.46Å; N818-K822 PolarHBondContact OD1-N 3.21Å; N818-K822 PolarHBondContact OD1-O 3.3Å
819	H	93.1	Very high	88.5	Confident	126 Å²	126	52 Å²	52	58%	0.583	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14	179.1	-61.6	158	0	0	0	114	E751 D752 G753 G821	E751-H819 PolarHBondContact O-CE1 3.38Å; E751-H819 VanDerWaalsContact O-CE1 3.29Å; E751-H819 PolarHBondContact O-ND1 3.48Å; D752-H819 VanDerWaalsContact O-CB 3.25Å; D752-H819 WeakPolarHBondContact O-CB 3.21Å; D752-H819 VanDerWaalsContact O-CG 3.32Å; D752-H819 PolarHBondContact O-N 2.7Å; D752-H819 VanDerWaalsContact O-N 3.1Å; D752-H819 PolarHBondContact O-ND1 3.33Å; G753-H819 PolarHBondContact N-CE1 3.18Å; G753-H819 PolarHBondContact N-ND1 2.92Å; H819-G821 VanDerWaalsContact C-N 3.34Å
820	K	90.4	Very high	88.2	Confident	132 Å²	132	54.7 Å²	54.7	57%	0.574	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	3	173.3	-62.3	167.2	-174.6	143.1	0	112.6	D752 N818 K822	D752-K820 IonicContact OD2-NZ 3.14Å; N818-K820 PolarHBondContact O-N 2.86Å; N818-K820 WeakPolarHBondContact OD1-CA 3.34Å; N818-K820 WeakPolarHBondContact OD1-CB 3.48Å; N818-K820 PolarHBondContact OD1-N 3.02Å; K820-K822 VanDerWaalsContact C-N 3.27Å; K820-K822 PolarHBondContact O-N 3.36Å
821	G	88.7	Confident	87.9	Confident	54 Å²	54	56 Å²	56	56%	0.557	34%	0.337	S	S	*	.	S	Bend	trans	70.5	19.4	-179	0	0	0	0	0	114	N818 H819	N818-G821 WeakPolarHBondContact O-CA 3.42Å; N818-G821 PolarHBondContact O-N 2.83Å; N818-G821 PolarHBondContact OD1-N 2.96Å; H819-G821 VanDerWaalsContact C-N 3.34Å
822	K	90	Very high	87.7	Confident	107 Å²	107	58.9 Å²	58.9	47%	0.465	35%	0.35	S	S	.	.			trans	-104.6	131.9	177.8	-63.9	-168.7	176.3	-171	0	109.7	H758 A817 N818 K820 D826 L827	H758-K822 PolarHBondContact NE2-O 2.91Å; A817-K822 WeakPolarHBondContact CA-O 3.21Å; N818-K822 PolarHBondContact N-O 3.46Å; N818-K822 PolarHBondContact OD1-N 3.21Å; N818-K822 PolarHBondContact OD1-O 3.3Å; K820-K822 VanDerWaalsContact C-N 3.27Å; K820-K822 PolarHBondContact O-N 3.36Å; K822-D826 HydrophobicContact CB-CB 4.46Å; K822-L827 HydrophobicContact CB-CD2 4.29Å; K822-L827 HydrophobicContact CD-CD2 3.84Å
823	S	92.3	Very high	87.1	Confident	12 Å²	12	60.1 Å²	60.1	8%	0.084	36%	0.356	C	S	.	.			trans	-86.9	164.1	169.5	69.7	0	0	0	0	112	Y816 L825 D826 L827	Y816-S823 VanDerWaalsContact O-CA 3.25Å; Y816-S823 WeakPolarHBondContact O-CA 2.97Å; S823-L825 PolarHBondContact O-N 2.92Å; S823-D826 WeakPolarHBondContact CB-OD2 3.49Å; S823-D826 PolarHBondContact N-OD2 3.21Å; S823-D826 WeakPolarHBondContact O-CB 3.47Å; S823-D826 PolarHBondContact O-N 3.16Å; S823-D826 PolarHBondContact OG-N 3.33Å; S823-D826 PolarHBondContact OG-OD2 3.49Å; S823-L827 PolarHBondContact O-N 3.05Å
824	P	89.6	Confident	86.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-53.8	-37.2	174.1	-27.7	36.1	0	0	0	112.5	M757 H758 L761 I814 Y816 L827	M757-P824 HydrophobicContact CB-CB 4.44Å; M757-P824 HydrophobicContact CB-CG 4.29Å; M757-P824 HydrophobicContact CE-CB 4.3Å; M757-P824 HydrophobicContact CG-CB 3.9Å; M757-P824 HydrophobicContact CG-CG 4.23Å; M757-P824 HydrophobicContact SD-CB 3.8Å; M757-P824 HydrophobicContact SD-CG 4.06Å; H758-P824 WeakPolarHBondContact CE1-CD 3.44Å; H758-P824 WeakPolarHBondContact NE2-CD 3.4Å; L761-P824 HydrophobicContact CD1-CB 3.94Å; L761-P824 VanDerWaalsContact CD1-O 3.27Å; L761-P824 WeakPolarHBondContact CD1-O 3.33Å; I814-P824 WeakPolarHBondContact O-CD 3.47Å; Y816-P824 VanDerWaalsContact O-CD 3.23Å; Y816-P824 WeakPolarHBondContact O-CD 3.36Å; P824-L827 WeakPolarHBondContact O-CB 3.47Å; P824-L827 PolarHBondContact O-N 3.37Å
825	L	88.6	Confident	86.5	Confident	25 Å²	25	63.7 Å²	63.7	13%	0.131	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-67.2	-33.6	177.4	-70.7	174.7	0	0	0	113.1	I814 S823 L827 V828 M834 I837 K838	I814-L825 HydrophobicContact CB-CD1 4.27Å; I814-L825 HydrophobicContact CB-CG 4.2Å; I814-L825 HydrophobicContact CD1-CD1 4.03Å; I814-L825 HydrophobicContact CG1-CD1 4.03Å; I814-L825 WeakPolarHBondContact O-CG 3.45Å; S823-L825 PolarHBondContact O-N 2.92Å; L825-L827 PolarHBondContact O-N 3.33Å; L825-V828 PolarHBondContact O-N 3.01Å; L825-M834 HydrophobicContact CD2-CG 4.41Å; L825-I837 HydrophobicContact CD2-CG2 4.09Å; L825-K838 HydrophobicContact CD1-CG 4.49Å; L825-K838 HydrophobicContact CD2-CG 4.4Å
826	D	88.5	Confident	86.2	Confident	106 Å²	106	60.6 Å²	60.6	57%	0.567	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-68.8	-15.9	178	-59.4	-44.3	0	0	0	112.8	K822 S823	K822-D826 HydrophobicContact CB-CB 4.46Å; S823-D826 WeakPolarHBondContact CB-OD2 3.49Å; S823-D826 PolarHBondContact N-OD2 3.21Å; S823-D826 WeakPolarHBondContact O-CB 3.47Å; S823-D826 PolarHBondContact O-N 3.16Å; S823-D826 PolarHBondContact OG-N 3.33Å; S823-D826 PolarHBondContact OG-OD2 3.49Å
827	L	85.1	Confident	85.9	Confident	36 Å²	36	56.8 Å²	56.8	19%	0.188	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-86.8	-14.1	178	-58.2	175.5	0	0	0	112.8	H758 L761 L762 K822 S823 P824 L825	H758-L827 HydrophobicContact CB-CD1 4.4Å; L761-L827 HydrophobicContact CB-CB 4.17Å; L761-L827 HydrophobicContact CB-CD1 4.3Å; L762-L827 HydrophobicContact CD1-CD1 4.33Å; L762-L827 HydrophobicContact CD2-CD1 3.8Å; L762-L827 HydrophobicContact CD2-CD2 3.59Å; L762-L827 HydrophobicContact CD2-CG 4.27Å; L762-L827 HydrophobicContact CG-CD1 3.67Å; L762-L827 HydrophobicContact CG-CD2 4.42Å; K822-L827 HydrophobicContact CB-CD2 4.29Å; K822-L827 HydrophobicContact CD-CD2 3.84Å; S823-L827 PolarHBondContact O-N 3.05Å; P824-L827 WeakPolarHBondContact O-CB 3.47Å; P824-L827 PolarHBondContact O-N 3.37Å; L825-L827 PolarHBondContact O-N 3.33Å
828	V	84.4	Confident	85.7	Confident	16 Å²	16	58.4 Å²	58.4	10%	0.097	33%	0.331	C	S	.	.			trans	-94.2	110.1	-178.4	-175.2	0	0	0	0	109.6	L761 L825 M833 M834 I837	L761-V828 HydrophobicContact CD1-CG2 3.81Å; L761-V828 HydrophobicContact CD2-CG2 4.02Å; L761-V828 HydrophobicContact CG-CG2 4.46Å; L825-V828 PolarHBondContact O-N 3.01Å; V828-M833 HydrophobicContact CG1-CB 3.72Å; V828-M834 HydrophobicContact CB-CG 3.65Å; V828-M834 HydrophobicContact CG1-CG 3.67Å; V828-M834 WeakPolarHBondContact O-CE 3.42Å; V828-I837 HydrophobicContact CG2-CD1 4.07Å
829	G	76	Confident	85.5	Confident	85 Å²	85	61.5 Å²	61.5	88%	0.876	35%	0.347	S	S	*	.			trans	-74.6	-22.1	178.2	0	0	0	0	0	114.7
830	D	79.7	Confident	85.1	Confident	73 Å²	73	55.5 Å²	55.5	39%	0.39	32%	0.32	S	S	.	.			trans	-94.1	120.4	-176.6	-173.7	-14.6	0	0	0	112	T832 M833 M834	D830-T832 VanDerWaalsContact C-N 3.26Å; D830-T832 PolarHBondContact O-N 3.1Å; D830-T832 WeakPolarHBondContact OD1-CB 3.46Å; D830-T832 PolarHBondContact OD1-N 3.15Å; D830-T832 PolarHBondContact OD1-OG1 3.42Å; D830-T832 PolarHBondContact OD2-OG1 3.41Å; D830-T832 VanDerWaalsContact OD2-OG1 3.05Å; D830-M833 HydrophobicContact CB-CB 4.1Å; D830-M833 HydrophobicContact CB-CG 3.92Å; D830-M833 PolarHBondContact O-N 2.75Å; D830-M834 PolarHBondContact O-N 3.45Å
831	S	81.4	Confident	84.8	Confident	79 Å²	79	50.6 Å²	50.6	55%	0.552	30%	0.302	S	S	*	.	H	α-helix	trans	-57.1	-32.9	176.6	64.9	0	0	0	0	114.6	Q835	S831-Q835 WeakPolarHBondContact O-CG 3.26Å; S831-Q835 PolarHBondContact O-N 3.26Å
832	T	81.3	Confident	84.5	Confident	81 Å²	81	51.8 Å²	51.8	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-71.8	-41.8	-179.9	64.9	0	0	0	0	111.1	D830 Q835 L836	D830-T832 VanDerWaalsContact C-N 3.26Å; D830-T832 PolarHBondContact O-N 3.1Å; D830-T832 WeakPolarHBondContact OD1-CB 3.46Å; D830-T832 PolarHBondContact OD1-N 3.15Å; D830-T832 PolarHBondContact OD1-OG1 3.42Å; D830-T832 PolarHBondContact OD2-OG1 3.41Å; D830-T832 VanDerWaalsContact OD2-OG1 3.05Å; T832-Q835 PolarHBondContact O-N 2.9Å; T832-L836 PolarHBondContact O-N 3.39Å
833	M	77.5	Confident	83.8	Confident	30 Å²	30	49 Å²	49	15%	0.148	28%	0.281	C	S	.	.	H	α-helix	trans	-69.3	-37.1	178.5	-64.7	-58.6	138.9	0	0	112.1	T795 L797 M801 V828 D830 L836 I837	T795-M833 HydrophobicContact CG2-CE 4.06Å; L797-M833 HydrophobicContact CD2-SD 4.09Å; M801-M833 HydrophobicContact CE-CB 3.61Å; M801-M833 HydrophobicContact CE-CG 4.19Å; M801-M833 HydrophobicContact CE-SD 4.05Å; M801-M833 HydrophobicContact CG-SD 4.3Å; M801-M833 HydrophobicContact SD-CB 4.18Å; V828-M833 HydrophobicContact CG1-CB 3.72Å; D830-M833 HydrophobicContact CB-CB 4.1Å; D830-M833 HydrophobicContact CB-CG 3.92Å; D830-M833 PolarHBondContact O-N 2.75Å; M833-L836 PolarHBondContact O-N 3.4Å; M833-I837 PolarHBondContact O-N 3.26Å; M833-I837 VanDerWaalsContact O-N 3.09Å
834	M	84.2	Confident	82.9	Confident	51 Å²	51	51 Å²	51	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-43.9	171	-79.1	-168.8	-91	0	0	112.3	L825 V828 D830 L836 K838	L825-M834 HydrophobicContact CD2-CG 4.41Å; V828-M834 HydrophobicContact CB-CG 3.65Å; V828-M834 HydrophobicContact CG1-CG 3.67Å; V828-M834 WeakPolarHBondContact O-CE 3.42Å; D830-M834 PolarHBondContact O-N 3.45Å; M834-L836 VanDerWaalsContact C-N 3.33Å; M834-K838 WeakPolarHBondContact O-CG 3.22Å; M834-K838 PolarHBondContact O-N 2.86Å; M834-K838 VanDerWaalsContact O-N 3.15Å
835	Q	84.1	Confident	82.2	Confident	106 Å²	106	56.6 Å²	56.6	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-66.5	-37.3	177.6	-69.3	-61.8	-18.9	0	0	111.7	S831 T832 K838 N839	S831-Q835 WeakPolarHBondContact O-CG 3.26Å; S831-Q835 PolarHBondContact O-N 3.26Å; T832-Q835 PolarHBondContact O-N 2.9Å; Q835-K838 PolarHBondContact O-N 3Å; Q835-N839 PolarHBondContact O-N 3.23Å; Q835-N839 PolarHBondContact O-ND2 2.98Å; Q835-N839 PolarHBondContact O-OD1 3.06Å
836	L	83.7	Confident	81.7	Confident	16 Å²	16	59.3 Å²	59.3	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-49.7	177	-170.2	65.8	0	0	0	111.8	L792 L797 T832 M833 M834 K838 N839 F840	L792-L836 HydrophobicContact CD2-CD1 4.48Å; L792-L836 HydrophobicContact CD2-CD2 4.11Å; L797-L836 HydrophobicContact CD1-CD2 4.44Å; L797-L836 HydrophobicContact CD2-CD2 3.6Å; T832-L836 PolarHBondContact O-N 3.39Å; M833-L836 PolarHBondContact O-N 3.4Å; M834-L836 VanDerWaalsContact C-N 3.33Å; L836-K838 VanDerWaalsContact C-N 3.31Å; L836-K838 PolarHBondContact O-N 3.06Å; L836-N839 WeakPolarHBondContact O-CB 3.44Å; L836-N839 PolarHBondContact O-N 3.03Å; L836-N839 VanDerWaalsContact O-N 3.14Å; L836-F840 HydrophobicContact CD1-CD2 4.17Å; L836-F840 HydrophobicContact CD1-CE2 3.73Å; L836-F840 HydrophobicContact CG-CD2 4.06Å; L836-F840 HydrophobicContact CG-CE2 3.9Å; L836-F840 WeakPolarHBondContact O-CD2 3.44Å; L836-F840 PolarHBondContact O-N 3.05Å; L836-F840 VanDerWaalsContact O-N 3.08Å
837	I	84.4	Confident	80.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57	-44.8	176.1	-74.3	170.8	0	0	0	111.3	M757 L761 M801 A804 A808 I814 L825 V828 M833 N839 F840 S841	M757-I837 HydrophobicContact CE-CB 4.46Å; M757-I837 HydrophobicContact CE-CD1 4.03Å; M757-I837 HydrophobicContact CE-CG1 4.28Å; M757-I837 HydrophobicContact CE-CG2 3.38Å; L761-I837 HydrophobicContact CD1-CD1 4.43Å; M801-I837 HydrophobicContact CE-CD1 3.57Å; M801-I837 HydrophobicContact CE-CG1 3.85Å; M801-I837 HydrophobicContact SD-CD1 4.45Å; A804-I837 HydrophobicContact CB-CD1 4.19Å; A808-I837 HydrophobicContact CB-CG2 4.23Å; I814-I837 HydrophobicContact CB-CG2 4.41Å; I814-I837 HydrophobicContact CG2-CG2 3.79Å; L825-I837 HydrophobicContact CD2-CG2 4.09Å; V828-I837 HydrophobicContact CG2-CD1 4.07Å; M833-I837 PolarHBondContact O-N 3.26Å; M833-I837 VanDerWaalsContact O-N 3.09Å; I837-N839 VanDerWaalsContact C-N 3.33Å; I837-N839 PolarHBondContact O-N 3.46Å; I837-F840 PolarHBondContact O-N 2.95Å; I837-S841 PolarHBondContact O-N 3.12Å
838	K	86.7	Confident	80.1	Confident	83 Å²	83	63.8 Å²	63.8	36%	0.361	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-42.2	176.9	-74	175.2	-179.5	-179.9	0	111.9	I814 L825 M834 Q835 L836 F840 S841 E842	I814-K838 HydrophobicContact CD1-CG 4.02Å; L825-K838 HydrophobicContact CD1-CG 4.49Å; L825-K838 HydrophobicContact CD2-CG 4.4Å; M834-K838 WeakPolarHBondContact O-CG 3.22Å; M834-K838 PolarHBondContact O-N 2.86Å; M834-K838 VanDerWaalsContact O-N 3.15Å; Q835-K838 PolarHBondContact O-N 3Å; L836-K838 VanDerWaalsContact C-N 3.31Å; L836-K838 PolarHBondContact O-N 3.06Å; K838-F840 PolarHBondContact O-N 2.88Å; K838-S841 PolarHBondContact O-N 3.01Å; K838-E842 VanDerWaalsContact O-CB 3.31Å; K838-E842 WeakPolarHBondContact O-CB 3.37Å; K838-E842 PolarHBondContact O-N 3Å
839	N	86	Confident	79.2	Confident	74 Å²	74	66.9 Å²	66.9	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-41.1	178	-67.9	-18.9	0	0	0	112.3	L791 Q835 L836 I837 E842 K843	L791-N839 HydrophobicContact CD1-CB 4.25Å; L791-N839 HydrophobicContact CD2-CB 4.19Å; Q835-N839 PolarHBondContact O-N 3.23Å; Q835-N839 PolarHBondContact O-ND2 2.98Å; Q835-N839 PolarHBondContact O-OD1 3.06Å; L836-N839 WeakPolarHBondContact O-CB 3.44Å; L836-N839 PolarHBondContact O-N 3.03Å; L836-N839 VanDerWaalsContact O-N 3.14Å; I837-N839 VanDerWaalsContact C-N 3.33Å; I837-N839 PolarHBondContact O-N 3.46Å; N839-E842 PolarHBondContact O-N 3.04Å; N839-K843 PolarHBondContact O-N 2.84Å
840	F	83.6	Confident	78.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-40.6	176.2	-83.6	-79.2	0	0	0	112.5	L786 L791 L792 C805 A808 Q809 L836 I837 K838 E842 K843 H844	L786-F840 HydrophobicContact CB-CZ 4.29Å; L786-F840 HydrophobicContact CD2-CD1 4.1Å; L786-F840 HydrophobicContact CD2-CE1 3.5Å; L786-F840 VanDerWaalsContact CD2-CE1 3.5Å; L786-F840 HydrophobicContact CD2-CE2 4.37Å; L786-F840 HydrophobicContact CD2-CZ 3.66Å; L791-F840 HydrophobicContact CB-CE2 4.25Å; L791-F840 HydrophobicContact CB-CZ 4.13Å; L791-F840 HydrophobicContact CD1-CD1 4.32Å; L791-F840 HydrophobicContact CD1-CE1 4.31Å; L791-F840 HydrophobicContact CD1-CG 4.43Å; L791-F840 HydrophobicContact CD1-CZ 4.4Å; L792-F840 HydrophobicContact CG-CZ 4.42Å; C805-F840 HydrophobicContact CB-CD2 3.78Å; C805-F840 HydrophobicContact CB-CE2 4.05Å; C805-F840 HydrophobicContact CB-CG 4.15Å; A808-F840 HydrophobicContact CB-CB 4.35Å; Q809-F840 HydrophobicContact CB-CD1 4.2Å; L836-F840 HydrophobicContact CD1-CD2 4.17Å; L836-F840 HydrophobicContact CD1-CE2 3.73Å; L836-F840 HydrophobicContact CG-CD2 4.06Å; L836-F840 HydrophobicContact CG-CE2 3.9Å; L836-F840 WeakPolarHBondContact O-CD2 3.44Å; L836-F840 PolarHBondContact O-N 3.05Å; L836-F840 VanDerWaalsContact O-N 3.08Å; I837-F840 PolarHBondContact O-N 2.95Å; K838-F840 PolarHBondContact O-N 2.88Å; F840-E842 VanDerWaalsContact C-N 3.34Å; F840-E842 PolarHBondContact O-N 3.34Å; F840-K843 PolarHBondContact O-N 3.02Å; F840-H844 PolarHBondContact O-N 3.42Å
841	S	85.2	Confident	77.4	Confident	29 Å²	29	68.6 Å²	68.6	20%	0.203	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-41.8	173.6	-172.1	0	0	0	0	112.2	I837 K838 K843 H844 R845	I837-S841 PolarHBondContact O-N 3.12Å; K838-S841 PolarHBondContact O-N 3.01Å; S841-K843 VanDerWaalsContact C-N 3.34Å; S841-K843 PolarHBondContact O-N 3.01Å; S841-H844 WeakPolarHBondContact O-CB 3.34Å; S841-H844 PolarHBondContact O-N 2.98Å; S841-R845 PolarHBondContact O-N 2.64Å; S841-R845 VanDerWaalsContact O-N 3.12Å
842	E	81.9	Confident	76	Confident	78 Å²	78	69.3 Å²	69.3	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-36	178.3	-175.8	58.8	-162.8	0	0	112.2	K838 N839 F840 R845 L846	K838-E842 VanDerWaalsContact O-CB 3.31Å; K838-E842 WeakPolarHBondContact O-CB 3.37Å; K838-E842 PolarHBondContact O-N 3Å; N839-E842 PolarHBondContact O-N 3.04Å; F840-E842 VanDerWaalsContact C-N 3.34Å; F840-E842 PolarHBondContact O-N 3.34Å; E842-R845 WeakPolarHBondContact O-CB 3.43Å; E842-R845 PolarHBondContact O-N 2.98Å; E842-R845 IonicContact OE1-CZ 2.72Å; E842-R845 IonicContact OE1-NE 3.28Å; E842-R845 PolarHBondContact OE1-NE 2.7Å; E842-R845 IonicContact OE1-NH2 2.89Å; E842-R845 PolarHBondContact OE1-NH2 3.45Å; E842-R845 WeakPolarHBondContact OE2-CD 3.39Å; E842-R845 IonicContact OE2-CZ 3.57Å; E842-R845 IonicContact OE2-NE 2.89Å; E842-R845 PolarHBondContact OE2-NE 3.44Å; E842-L846 HydrophobicContact CG-CD1 4.38Å; E842-L846 WeakPolarHBondContact O-CG 3.5Å; E842-L846 PolarHBondContact O-N 2.83Å
843	K	75.9	Confident	74.3	Confident	50 Å²	50	70.9 Å²	70.9	22%	0.217	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-44.1	173.4	-177	177.9	173.8	179.5	0	111.9	S789 L791 N839 F840 S841 R845 L846 Q847	S789-K843 PolarHBondContact OG-NZ 3.28Å; L791-K843 HydrophobicContact CD1-CD 4.26Å; N839-K843 PolarHBondContact O-N 2.84Å; F840-K843 PolarHBondContact O-N 3.02Å; S841-K843 VanDerWaalsContact C-N 3.34Å; S841-K843 PolarHBondContact O-N 3.01Å; K843-R845 VanDerWaalsContact C-N 3.31Å; K843-R845 PolarHBondContact O-N 2.71Å; K843-L846 PolarHBondContact O-N 3.25Å; K843-Q847 VanDerWaalsContact CE-NE2 3.34Å; K843-Q847 HydrophobicContact CG-CG 4.4Å; K843-Q847 WeakPolarHBondContact O-CB 3.38Å; K843-Q847 WeakPolarHBondContact O-CG 3.45Å; K843-Q847 PolarHBondContact O-N 3.49Å
844	H	74.1	Confident	72.4	Confident	52 Å²	52	73.2 Å²	73.2	24%	0.241	37%	0.369	C	S	.	.	H	α-helix	trans	-57.9	-45.2	173.7	174.6	-105.2	0	0	0	111.4	Q809 F840 S841 L846 Q847 R848	Q809-H844 VanDerWaalsContact O-CB 3.24Å; Q809-H844 WeakPolarHBondContact O-CB 3.35Å; Q809-H844 PolarHBondContact O-CD2 3.26Å; Q809-H844 VanDerWaalsContact O-CG 3.3Å; F840-H844 PolarHBondContact O-N 3.42Å; S841-H844 WeakPolarHBondContact O-CB 3.34Å; S841-H844 PolarHBondContact O-N 2.98Å; H844-L846 VanDerWaalsContact C-N 3.33Å; H844-L846 PolarHBondContact O-N 3.01Å; H844-Q847 PolarHBondContact O-N 3.21Å; H844-R848 WeakPolarHBondContact O-CB 3.4Å; H844-R848 PolarHBondContact O-N 3.17Å
845	R	75	Confident	70.2	Confident	119 Å²	119	74.5 Å²	74.5	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-56.8	-45.6	175.7	-165.7	-171.2	74.2	78.9	5.4	111.7	S841 E842 K843 R848 L849	S841-R845 PolarHBondContact O-N 2.64Å; S841-R845 VanDerWaalsContact O-N 3.12Å; E842-R845 WeakPolarHBondContact O-CB 3.43Å; E842-R845 PolarHBondContact O-N 2.98Å; E842-R845 IonicContact OE1-CZ 2.72Å; E842-R845 IonicContact OE1-NE 3.28Å; E842-R845 PolarHBondContact OE1-NE 2.7Å; E842-R845 IonicContact OE1-NH2 2.89Å; E842-R845 PolarHBondContact OE1-NH2 3.45Å; E842-R845 WeakPolarHBondContact OE2-CD 3.39Å; E842-R845 IonicContact OE2-CZ 3.57Å; E842-R845 IonicContact OE2-NE 2.89Å; E842-R845 PolarHBondContact OE2-NE 3.44Å; K843-R845 VanDerWaalsContact C-N 3.31Å; K843-R845 PolarHBondContact O-N 2.71Å; R845-R848 PolarHBondContact O-N 3.44Å; R845-L849 HydrophobicContact CG-CD1 4.32Å; R845-L849 WeakPolarHBondContact O-CD1 3.49Å; R845-L849 VanDerWaalsContact O-CG 3.28Å; R845-L849 WeakPolarHBondContact O-CG 3.28Å; R845-L849 PolarHBondContact O-N 3.4Å; R845-L849 VanDerWaalsContact O-N 3.07Å
846	L	76.7	Confident	67.7	Low	81 Å²	81	76.6 Å²	76.6	42%	0.424	41%	0.405	S	S	.	.	H	α-helix	trans	-68.3	-42.6	178.8	-69.5	170.4	0	0	0	112.8	E842 K843 H844 R848 L849 Q850	E842-L846 HydrophobicContact CG-CD1 4.38Å; E842-L846 WeakPolarHBondContact O-CG 3.5Å; E842-L846 PolarHBondContact O-N 2.83Å; K843-L846 PolarHBondContact O-N 3.25Å; H844-L846 VanDerWaalsContact C-N 3.33Å; H844-L846 PolarHBondContact O-N 3.01Å; L846-R848 VanDerWaalsContact C-N 3.31Å; L846-R848 PolarHBondContact O-N 3Å; L846-L849 PolarHBondContact O-N 3.25Å; L846-Q850 WeakPolarHBondContact O-CG 3.32Å; L846-Q850 PolarHBondContact O-N 3.33Å
847	Q	72.4	Confident	65.4	Low	83 Å²	83	78.7 Å²	78.7	39%	0.388	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-41.2	175.2	-75.3	174.6	-27.6	0	0	111.3	K843 H844 Q850 A851	K843-Q847 VanDerWaalsContact CE-NE2 3.34Å; K843-Q847 HydrophobicContact CG-CG 4.4Å; K843-Q847 WeakPolarHBondContact O-CB 3.38Å; K843-Q847 WeakPolarHBondContact O-CG 3.45Å; K843-Q847 PolarHBondContact O-N 3.49Å; H844-Q847 PolarHBondContact O-N 3.21Å; Q847-Q850 PolarHBondContact O-N 2.72Å; Q847-A851 WeakPolarHBondContact O-CB 3.42Å; Q847-A851 PolarHBondContact O-N 3.38Å
848	R	68.2	Low	63.1	Low	153 Å²	153	86.5 Å²	86.5	58%	0.577	47%	0.471	S	S	*	.	H	α-helix	trans	-64.6	-39.8	175.7	-150.6	178.2	99.1	-170.8	6.2	112	H844 R845 L846 A851 I852	H844-R848 WeakPolarHBondContact O-CB 3.4Å; H844-R848 PolarHBondContact O-N 3.17Å; R845-R848 PolarHBondContact O-N 3.44Å; L846-R848 VanDerWaalsContact C-N 3.31Å; L846-R848 PolarHBondContact O-N 3Å; R848-A851 PolarHBondContact O-N 2.98Å; R848-I852 VanDerWaalsContact O-CD1 3.27Å; R848-I852 WeakPolarHBondContact O-CD1 3.44Å; R848-I852 WeakPolarHBondContact O-CG1 3.48Å; R848-I852 PolarHBondContact O-N 3.35Å
849	L	66.3	Low	60.5	Low	81 Å²	81	87.3 Å²	87.3	42%	0.424	49%	0.487	S	S	.	.	H	α-helix	trans	-68.5	-36.2	176	-74.2	163.9	0	0	0	113	R845 L846 I852 T853	R845-L849 HydrophobicContact CG-CD1 4.32Å; R845-L849 WeakPolarHBondContact O-CD1 3.49Å; R845-L849 VanDerWaalsContact O-CG 3.28Å; R845-L849 WeakPolarHBondContact O-CG 3.28Å; R845-L849 PolarHBondContact O-N 3.4Å; R845-L849 VanDerWaalsContact O-N 3.07Å; L846-L849 PolarHBondContact O-N 3.25Å; L849-I852 PolarHBondContact O-N 3.29Å; L849-T853 PolarHBondContact O-N 2.75Å; L849-T853 PolarHBondContact O-OG1 2.84Å
850	Q	61.5	Low	57.7	Low	124 Å²	124	89.7 Å²	89.7	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-67.4	-43	173.8	-77.4	177.7	-7.6	0	0	111.6	L846 Q847 I852 T853 C854	L846-Q850 WeakPolarHBondContact O-CG 3.32Å; L846-Q850 PolarHBondContact O-N 3.33Å; Q847-Q850 PolarHBondContact O-N 2.72Å; Q850-I852 PolarHBondContact O-N 3.28Å; Q850-T853 WeakPolarHBondContact CA-OG1 3.41Å; Q850-T853 PolarHBondContact O-N 3.27Å; Q850-T853 VanDerWaalsContact O-N 3.11Å; Q850-T853 PolarHBondContact O-OG1 3.39Å; Q850-T853 VanDerWaalsContact O-OG1 3.07Å; Q850-C854 PolarHBondContact O-N 3.4Å; Q850-C854 PolarHBondContact O-SG 3.19Å
851	A	56.4	Low	55.1	Low	71 Å²	71	92.3 Å²	92.3	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-59.1	-32.8	174.9	0	0	0	0	0	112.5	Q847 R848	Q847-A851 WeakPolarHBondContact O-CB 3.42Å; Q847-A851 PolarHBondContact O-N 3.38Å; R848-A851 PolarHBondContact O-N 2.98Å
852	I	51.7	Low	52.3	Low	94 Å²	94	96 Å²	96	48%	0.482	56%	0.558	S	S	.	*	H	α-helix	trans	-75.4	-28.8	178.1	-66.5	162.7	0	0	0	112.5	R848 L849 Q850 T880	R848-I852 VanDerWaalsContact O-CD1 3.27Å; R848-I852 WeakPolarHBondContact O-CD1 3.44Å; R848-I852 WeakPolarHBondContact O-CG1 3.48Å; R848-I852 PolarHBondContact O-N 3.35Å; L849-I852 PolarHBondContact O-N 3.29Å; Q850-I852 PolarHBondContact O-N 3.28Å; I852-T880 HydrophobicContact CG2-CG2 4.08Å
853	T	45.1	Very low	49.7	Very low	114 Å²	114	100.6 Å²	100.6	70%	0.699	58%	0.584	S	S	*	*	H	α-helix	trans	-90.7	-17.8	-171.6	36.3	0	0	0	0	115.2	L849 Q850	L849-T853 PolarHBondContact O-N 2.75Å; L849-T853 PolarHBondContact O-OG1 2.84Å; Q850-T853 WeakPolarHBondContact CA-OG1 3.41Å; Q850-T853 PolarHBondContact O-N 3.27Å; Q850-T853 VanDerWaalsContact O-N 3.11Å; Q850-T853 PolarHBondContact O-OG1 3.39Å; Q850-T853 VanDerWaalsContact O-OG1 3.07Å
854	C	36.6	Very low	47.5	Very low	79 Å²	79	105.7 Å²	105.7	53%	0.534	60%	0.601	S	S	.	*	S	Bend	trans	-88.3	-6.3	-172.4	-55.2	0	0	0	0	115.8	Q850 Q856	Q850-C854 PolarHBondContact O-N 3.4Å; Q850-C854 PolarHBondContact O-SG 3.19Å; C854-Q856 HydrophobicContact CB-CG 4.37Å; C854-Q856 PolarHBondContact O-N 3.42Å
855	G	38.7	Very low	45.3	Very low	78 Å²	78	111 Å²	111	80%	0.804	62%	0.619	S	S	*	*			trans	57.2	10.3	-176.4	0	0	0	0	0	115.1	G857	G855-G857 PolarHBondContact O-N 3.2Å
856	Q	31.7	Very low	42.9	Very low	150 Å²	150	110.6 Å²	110.6	70%	0.701	63%	0.63	S	S	*	*			trans	-74.8	111.2	167.8	-71.3	-173.9	-27.5	0	0	106.5	C854 L858	C854-Q856 HydrophobicContact CB-CG 4.37Å; C854-Q856 PolarHBondContact O-N 3.42Å; Q856-L858 PolarHBondContact O-N 3.07Å
857	G	34.9	Very low	40.6	Very low	59 Å²	59	113.2 Å²	113.2	61%	0.608	64%	0.64	S	S	*	*			trans	-49.5	140.6	162.3	0	0	0	0	0	108.7	G855 S859	G855-G857 PolarHBondContact O-N 3.2Å; G857-S859 VanDerWaalsContact C-N 3.32Å; G857-S859 WeakPolarHBondContact O-CB 3.36Å; G857-S859 PolarHBondContact O-N 3.32Å; G857-S859 PolarHBondContact O-OG 3.12Å
858	L	36.1	Very low	38.5	Very low	164 Å²	164	114.8 Å²	114.8	86%	0.859	66%	0.655	S	S	*	*	S	Bend	trans	-41.1	91.9	176.4	-75.4	130.3	0	0	0	111.5	Q856	Q856-L858 PolarHBondContact O-N 3.07Å
859	S	31.7	Very low	36.4	Very low	100 Å²	100	113.7 Å²	113.7	70%	0.699	67%	0.666	S	S	*	*			trans	-131.8	59.6	179.7	74.5	0	0	0	0	109.3	G857	G857-S859 VanDerWaalsContact C-N 3.32Å; G857-S859 WeakPolarHBondContact O-CB 3.36Å; G857-S859 PolarHBondContact O-N 3.32Å; G857-S859 PolarHBondContact O-OG 3.12Å
860	S	28.1	Very low	34.7	Very low	125 Å²	125	115.1 Å²	115.1	87%	0.874	68%	0.68	S	S	*	*	S	Bend	trans	-175	-9.7	151.9	71.1	0	0	0	0	113.2
861	A	28.8	Very low	33.2	Very low	55 Å²	55	116.6 Å²	116.6	46%	0.455	69%	0.692	S	S	.	*	S	Bend	trans	-91.5	114.7	161.1	0	0	0	0	0	107.6	L863	A861-L863 PolarHBondContact O-N 3.19Å
862	S	26.2	Very low	31.9	Very low	106 Å²	106	119.9 Å²	119.9	74%	0.741	71%	0.705	S	S	*	*			trans	-39.3	135	165.3	-73.7	0	0	0	0	109.4	R864	S862-R864 VanDerWaalsContact C-N 3.27Å; S862-R864 PolarHBondContact O-N 3.48Å
863	L	27.6	Very low	30.7	Very low	174 Å²	174	123.6 Å²	123.6	91%	0.911	72%	0.722	S	S	*	*			trans	-41	96.4	161.8	-75.1	151.7	0	0	0	108.2	A861 R865	A861-L863 PolarHBondContact O-N 3.19Å; L863-R865 PolarHBondContact O-N 2.97Å
864	R	29.3	Very low	29.9	Very low	157 Å²	157	125 Å²	125	59%	0.592	73%	0.731	S	S	*	*			trans	-63.3	107.3	175.9	-77.2	-167.5	-176.8	-178.6	2.1	104.6	S862 V866	S862-R864 VanDerWaalsContact C-N 3.27Å; S862-R864 PolarHBondContact O-N 3.48Å; R864-V866 VanDerWaalsContact C-N 3.32Å; R864-V866 PolarHBondContact O-N 2.81Å
865	R	28.4	Very low	29.5	Very low	163 Å²	163	126.1 Å²	126.1	62%	0.615	73%	0.732	S	S	*	*			trans	-74.9	89.1	-169.5	-157.3	-173.4	-71.8	-171.6	0	106.5	L863 H867	L863-R865 PolarHBondContact O-N 2.97Å; R865-H867 VanDerWaalsContact C-N 3.31Å; R865-H867 WeakPolarHBondContact CD-NE2 3.36Å; R865-H867 PolarHBondContact O-N 2.86Å
866	V	24.8	Very low	28.9	Very low	111 Å²	111	130.4 Å²	130.4	67%	0.673	74%	0.735	S	S	*	*			trans	-65.3	96.8	170.3	179.3	0	0	0	0	107.1	R864 T868	R864-V866 VanDerWaalsContact C-N 3.32Å; R864-V866 PolarHBondContact O-N 2.81Å; V866-T868 HydrophobicContact CG1-CG2 3.51Å; V866-T868 PolarHBondContact O-N 2.99Å
867	H	28.1	Very low	28.6	Very low	136 Å²	136	127.3 Å²	127.3	63%	0.63	73%	0.726	S	S	*	*			trans	-87.5	81.8	164.5	-76.3	-53.7	0	0	0	107.7	R865	R865-H867 VanDerWaalsContact C-N 3.31Å; R865-H867 WeakPolarHBondContact CD-NE2 3.36Å; R865-H867 PolarHBondContact O-N 2.86Å
868	T	28.1	Very low	28.2	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-95.5	117.5	167	45.1	0	0	0	0	109.6	V866	V866-T868 HydrophobicContact CG1-CG2 3.51Å; V866-T868 PolarHBondContact O-N 2.99Å
869	T	25.3	Very low	28.1	Very low	129 Å²	129	129.8 Å²	129.8	79%	0.791	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-80.9	151.1	144.5	39.4	0	0	0	0	108.6	N871	T869-N871 PolarHBondContact O-N 3.12Å
870	P	29.2	Very low	27.9	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	72%	0.723	S	S	*	*	S	Bend	trans	-75.2	125.1	-161.8	31	-32.1	0	0	0	110.1
871	N	30.2	Very low	28.4	Very low	154 Å²	154	130.2 Å²	130.2	82%	0.824	72%	0.721	S	S	*	*			trans	145.6	73.5	151.3	-75.7	-17.1	0	0	0	110.6	T869	T869-N871 PolarHBondContact O-N 3.12Å
872	T	28.3	Very low	29.3	Very low	141 Å²	141	130.6 Å²	130.6	87%	0.865	72%	0.724	S	S	*	*			trans	-158.4	120	142.7	-31.8	0	0	0	0	109.2
873	M	28.2	Very low	30.6	Very low	172 Å²	172	127.6 Å²	127.6	85%	0.847	71%	0.71	S	S	*	*			trans	-81.1	134	166.4	-77.3	-114.8	168.6	0	0	108.8
874	T	28.1	Very low	32.3	Very low	143 Å²	143	123 Å²	123	88%	0.877	69%	0.69	S	S	*	*			trans	-160.7	137.1	138.8	17.3	0	0	0	0	110.9
875	N	26.6	Very low	34.5	Very low	103 Å²	103	118.5 Å²	118.5	55%	0.551	68%	0.683	S	S	*	*			trans	-84.1	143.6	-173.8	-70.3	-92.6	0	0	0	111.1	K920	N875-K920 PolarHBondContact OD1-NZ 3.26Å
876	L	26.1	Very low	37	Very low	167 Å²	167	115.9 Å²	115.9	87%	0.874	68%	0.678	S	S	*	*			trans	-140.5	116.1	136.5	-75.9	176.4	0	0	0	108.8
877	V	26.7	Very low	39.7	Very low	86 Å²	86	110.6 Å²	110.6	52%	0.521	65%	0.646	S	S	.	*			trans	-110.3	134.5	173	-177.9	0	0	0	0	106.2
878	F	27.1	Very low	42.2	Very low	160 Å²	160	109.4 Å²	109.4	70%	0.702	64%	0.643	S	S	*	*				178.7	174.4	93	-86.5	-78.7	0	0	0	109.5
879	P	33.8	Very low	44.5	Very low	114 Å²	114	107.8 Å²	107.8	74%	0.74	63%	0.63	S	S	*	*				-117.8	141.8	-63.7	29.9	-12.6	0	0	0	111.4
880	T	27.8	Very low	46.9	Very low	107 Å²	107	103.9 Å²	103.9	66%	0.656	61%	0.607	S	S	*	*			trans	-130.4	145.7	164.1	23.4	0	0	0	0	109.6	I852 A882	I852-T880 HydrophobicContact CG2-CG2 4.08Å; T880-A882 PolarHBondContact O-N 3.22Å
881	P	38.7	Very low	49.3	Very low	128 Å²	128	102.3 Å²	102.3	83%	0.831	60%	0.598	S	S	*	*			trans	-75.6	128	-176.8	-5.1	21.4	0	0	0	112.9
882	A	46.8	Very low	51.4	Low	62 Å²	62	100.9 Å²	100.9	51%	0.512	59%	0.587	S	S	.	*			trans	52.5	74.2	141.4	0	0	0	0	0	120.6	T880	T880-A882 PolarHBondContact O-N 3.22Å
883	G	54	Low	53.9	Low	43 Å²	43	100.7 Å²	100.7	44%	0.443	58%	0.58	S	S	.	*			trans	-101.7	163.4	140.4	0	0	0	0	0	110.4	S885	G883-S885 PolarHBondContact O-N 2.68Å
884	P	63.7	Low	56.4	Low	78 Å²	78	93.6 Å²	93.6	51%	0.506	55%	0.549	S	S	.	.			trans	-60.6	131.8	169.6	24.7	-30.6	0	0	0	109.9	L893 A894 L895	P884-L893 HydrophobicContact CB-CD2 4.44Å; P884-L893 VanDerWaalsContact O-CD2 3.25Å; P884-L893 WeakPolarHBondContact O-CD2 3.49Å; P884-A894 WeakPolarHBondContact CA-O 3.47Å; P884-L895 HydrophobicContact CB-CD2 4.29Å
885	S	74.1	Confident	58.9	Low	63 Å²	63	91.4 Å²	91.4	44%	0.441	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.9	-179.8	-66.9	0	0	0	0	109.3	G883 C887 A894	G883-S885 PolarHBondContact O-N 2.68Å; S885-C887 PolarHBondContact O-N 2.82Å; S885-A894 PolarHBondContact N-O 3.43Å; S885-A894 PolarHBondContact O-N 3.27Å
886	E	82.1	Confident	61.7	Low	108 Å²	108	87.4 Å²	87.4	51%	0.505	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	125.7	178.8	-168.5	-179.1	169.3	0	0	111	L888 S891 E892	E886-L888 PolarHBondContact O-N 2.81Å; E886-S891 WeakPolarHBondContact OE1-CA 3.12Å; E886-S891 WeakPolarHBondContact OE1-CB 3.4Å; E886-S891 PolarHBondContact OE1-OG 2.88Å; E886-E892 WeakPolarHBondContact CA-O 3.5Å
887	C	81.3	Confident	64.6	Low	0 Å²	0	79.6 Å²	79.6	0%	0	47%	0.469	C	S	.	.			trans	-71.4	125.1	173.5	172.6	0	0	0	0	110.1	S885 I889 C890 S891 E892 L896 A907 C908	S885-C887 PolarHBondContact O-N 2.82Å; C887-I889 PolarHBondContact O-N 2.85Å; C887-I889 PolarHBondContact SG-N 3.19Å; C887-I889 VanDerWaalsContact SG-N 3.42Å; C887-C890 VanDerWaalsContact CB-SG 3.52Å; C887-C890 VanDerWaalsContact SG-SG 3.62Å; C887-S891 VanDerWaalsContact O-CA 3.24Å; C887-S891 WeakPolarHBondContact O-CA 3.46Å; C887-S891 PolarHBondContact O-N 3.45Å; C887-E892 PolarHBondContact N-O 3.35Å; C887-L896 HydrophobicContact CB-CD2 3.89Å; C887-A907 VanDerWaalsContact SG-CA 3.56Å; C887-C908 HydrophobicContact CB-CB 4Å; C887-C908 PolarHBondContact SG-N 3.24Å
888	L	79.8	Confident	67.5	Low	110 Å²	110	78 Å²	78	58%	0.576	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	2.9	179.8	-62.2	-175.1	0	0	0	114.7	E886 V906 I919	E886-L888 PolarHBondContact O-N 2.81Å; L888-V906 WeakPolarHBondContact CB-O 3.42Å; L888-V906 HydrophobicContact CD1-CB 3.88Å; L888-V906 HydrophobicContact CD1-CG1 3.88Å; L888-V906 HydrophobicContact CG-CB 4.38Å; L888-V906 PolarHBondContact N-O 2.88Å; L888-I919 HydrophobicContact CB-CD1 3.81Å; L888-I919 HydrophobicContact CD1-CD1 4.47Å
889	I	77.3	Confident	70.4	Confident	84 Å²	84	70.3 Å²	70.3	43%	0.431	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-51.3	178.8	-60.8	-171.9	0	0	0	110.7	C887 A907 C911 M915 I919	C887-I889 PolarHBondContact O-N 2.85Å; C887-I889 PolarHBondContact SG-N 3.19Å; C887-I889 VanDerWaalsContact SG-N 3.42Å; I889-A907 HydrophobicContact CD1-CB 4.16Å; I889-A907 HydrophobicContact CG1-CB 4.48Å; I889-C911 HydrophobicContact CB-CB 3.83Å; I889-C911 HydrophobicContact CD1-CB 4.06Å; I889-C911 HydrophobicContact CG1-CB 4.37Å; I889-C911 HydrophobicContact CG2-CB 4.02Å; I889-M915 HydrophobicContact CD1-CE 3.87Å; I889-M915 HydrophobicContact CD1-CG 4.37Å; I889-M915 HydrophobicContact CD1-SD 3.49Å; I889-M915 WeakPolarHBondContact CD1-SD 3.39Å; I889-I919 HydrophobicContact CD1-CD1 4.28Å; I889-I919 HydrophobicContact CG1-CD1 3.89Å
890	C	75.6	Confident	72.4	Confident	47 Å²	47	65.9 Å²	65.9	32%	0.318	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-5.5	-179.3	62.9	0	0	0	0	114.6	C887 E892	C887-C890 VanDerWaalsContact CB-SG 3.52Å; C887-C890 VanDerWaalsContact SG-SG 3.62Å; C890-E892 HydrophobicContact CB-CG 4.32Å; C890-E892 PolarHBondContact O-N 3.27Å; C890-E892 VanDerWaalsContact O-N 3.1Å
891	S	78.6	Confident	74.4	Confident	78 Å²	78	64.8 Å²	64.8	55%	0.545	39%	0.39	S	S	.	.			trans	57.5	17.3	-174.8	-81	0	0	0	0	115	E886 C887	E886-S891 WeakPolarHBondContact OE1-CA 3.12Å; E886-S891 WeakPolarHBondContact OE1-CB 3.4Å; E886-S891 PolarHBondContact OE1-OG 2.88Å; C887-S891 VanDerWaalsContact O-CA 3.24Å; C887-S891 WeakPolarHBondContact O-CA 3.46Å; C887-S891 PolarHBondContact O-N 3.45Å
892	E	75.7	Confident	76	Confident	125 Å²	125	60 Å²	60	58%	0.584	36%	0.359	S	S	*	.			trans	-89.5	143.7	174.3	-61.8	-172.5	167.2	0	0	111.2	E886 C887 C890 A894	E886-E892 WeakPolarHBondContact CA-O 3.5Å; C887-E892 PolarHBondContact N-O 3.35Å; C890-E892 HydrophobicContact CB-CG 4.32Å; C890-E892 PolarHBondContact O-N 3.27Å; C890-E892 VanDerWaalsContact O-N 3.1Å; E892-A894 PolarHBondContact O-N 3.29Å
893	L	79.4	Confident	77.6	Confident	136 Å²	136	62.2 Å²	62.2	71%	0.712	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	108.2	171.7	-90.1	151.2	0	0	0	109.6	P884	P884-L893 HydrophobicContact CB-CD2 4.44Å; P884-L893 VanDerWaalsContact O-CD2 3.25Å; P884-L893 WeakPolarHBondContact O-CD2 3.49Å
894	A	80.8	Confident	78.8	Confident	24 Å²	24	62.2 Å²	62.2	20%	0.198	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.1	-176.1	0	0	0	0	0	112	P884 S885 E892 L896 C908	P884-A894 WeakPolarHBondContact CA-O 3.47Å; S885-A894 PolarHBondContact N-O 3.43Å; S885-A894 PolarHBondContact O-N 3.27Å; E892-A894 PolarHBondContact O-N 3.29Å; A894-L896 PolarHBondContact O-N 2.82Å; A894-C908 HydrophobicContact CB-CB 3.5Å; A894-C908 VanDerWaalsContact CB-CB 3.5Å
895	L	81.9	Confident	79.9	Confident	97 Å²	97	61 Å²	61	51%	0.508	34%	0.34	S	S	.	.			trans	-73.6	114.4	169	-57.5	-179.3	0	0	0	108.4	P884	P884-L895 HydrophobicContact CB-CD2 4.29Å
896	L	85.4	Confident	80.4	Confident	18 Å²	18	58.3 Å²	58.3	9%	0.094	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	140.5	-176.2	-55.2	-176.6	0	0	0	111.2	C887 A894 S905 A907 C908	C887-L896 HydrophobicContact CB-CD2 3.89Å; A894-L896 PolarHBondContact O-N 2.82Å; L896-S905 VanDerWaalsContact CD1-O 3.24Å; L896-S905 WeakPolarHBondContact CD1-O 3.35Å; L896-A907 WeakPolarHBondContact CA-O 3.19Å; L896-C908 HydrophobicContact CD2-CB 4.49Å
897	V	86	Confident	80.6	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	136.9	-180	-177.6	0	0	0	0	110.1	F899 S905 A907 E909 A912 K928 I929 V936	V897-F899 HydrophobicContact CB-CE1 4.35Å; V897-F899 HydrophobicContact CG1-CE1 4.34Å; V897-S905 WeakPolarHBondContact O-CA 3.05Å; V897-A907 PolarHBondContact N-O 3.42Å; V897-E909 HydrophobicContact CG2-CB 3.91Å; V897-E909 HydrophobicContact CG2-CG 4.43Å; V897-A912 HydrophobicContact CB-CB 4.16Å; V897-A912 HydrophobicContact CG2-CB 4.3Å; V897-K928 HydrophobicContact CG1-CB 3.84Å; V897-I929 WeakPolarHBondContact CG1-O 3.25Å; V897-V936 HydrophobicContact CG1-CG2 3.77Å; V897-V936 HydrophobicContact CG2-CG2 4.17Å
898	L	87.6	Confident	81	Confident	52 Å²	52	53.6 Å²	53.6	27%	0.272	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.2	-179.9	-174.6	69.8	0	0	0	111.1	Q903 S905 K928 I929	L898-Q903 VanDerWaalsContact CD1-C 3.47Å; L898-Q903 HydrophobicContact CD1-CB 4.21Å; L898-Q903 VanDerWaalsContact CD1-O 3.25Å; L898-Q903 WeakPolarHBondContact CD1-O 3.29Å; L898-S905 WeakPolarHBondContact CD1-OG 3.49Å; L898-K928 WeakPolarHBondContact O-CA 3.4Å; L898-I929 HydrophobicContact CB-CB 4.37Å; L898-I929 WeakPolarHBondContact CB-O 3.3Å; L898-I929 PolarHBondContact N-O 3.2Å; L898-I929 PolarHBondContact O-N 3.05Å
899	F	87.8	Confident	81.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.7	179.5	-65.1	-15.1	0	0	0	112.9	V897 C902 Q903 H904 V906 A907 A912 M915 C918 I925 K928	V897-F899 HydrophobicContact CB-CE1 4.35Å; V897-F899 HydrophobicContact CG1-CE1 4.34Å; F899-C902 CarbonylContact O-C 3.59Å; F899-C902 PolarHBondContact O-N 3.32Å; F899-C902 PolarHBondContact O-SG 3.25Å; F899-Q903 WeakPolarHBondContact O-CA 3.48Å; F899-Q903 PolarHBondContact O-N 2.88Å; F899-H904 WeakPolarHBondContact CB-O 3.44Å; F899-H904 PolarHBondContact N-O 3.22Å; F899-V906 HydrophobicContact CD2-CG2 3.92Å; F899-V906 HydrophobicContact CE2-CG2 3.58Å; F899-V906 HydrophobicContact CZ-CG2 4.47Å; F899-A907 HydrophobicContact CZ-CB 4.03Å; F899-A912 HydrophobicContact CE1-CB 3.62Å; F899-A912 HydrophobicContact CZ-CB 3.73Å; F899-M915 HydrophobicContact CE2-CE 3.85Å; F899-M915 HydrophobicContact CE2-SD 3.81Å; F899-M915 HydrophobicContact CZ-CE 4.28Å; F899-M915 HydrophobicContact CZ-SD 3.6Å; F899-C918 HydrophobicContact CD2-CB 4.07Å; F899-I925 HydrophobicContact CB-CD1 4.41Å; F899-I925 HydrophobicContact CB-CG1 4.16Å; F899-I925 HydrophobicContact CB-CG2 4.1Å; F899-I925 HydrophobicContact CD1-CD1 4.18Å; F899-I925 HydrophobicContact CD1-CG2 4.2Å; F899-I925 HydrophobicContact CD2-CD1 3.43Å; F899-I925 VanDerWaalsContact CD2-CD1 3.43Å; F899-I925 HydrophobicContact CD2-CG1 4Å; F899-I925 HydrophobicContact CE1-CD1 4.31Å; F899-I925 HydrophobicContact CE2-CD1 3.57Å; F899-I925 HydrophobicContact CG-CD1 3.76Å; F899-I925 HydrophobicContact CG-CG1 4.05Å; F899-I925 HydrophobicContact CG-CG2 4.17Å; F899-I925 HydrophobicContact CZ-CD1 4.01Å; F899-K928 HydrophobicContact CD1-CG 4.06Å; F899-K928 HydrophobicContact CE1-CG 4.15Å
900	C	75.8	Confident	81.6	Confident	21 Å²	21	55.3 Å²	55.3	14%	0.142	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	144	173.6	-58.9	0	0	0	0	111.7	I925 T926 K927	C900-I925 WeakPolarHBondContact O-CA 3.47Å; C900-T926 PolarHBondContact O-N 3.45Å; C900-T926 PolarHBondContact O-OG1 3.13Å; C900-K927 HydrophobicContact CB-CB 4.07Å; C900-K927 PolarHBondContact N-O 3.41Å
901	P	70.3	Confident	81.9	Confident	84 Å²	84	54.4 Å²	54.4	55%	0.545	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.4	-3.3	3.5	34.3	-35.5	0	0	0	114.9	Q903 V923	P901-Q903 VanDerWaalsContact C-N 3.28Å; P901-Q903 PolarHBondContact O-N 3.38Å; P901-V923 HydrophobicContact CG-CG1 3.98Å
902	C	72.5	Confident	82.3	Confident	28 Å²	28	50.7 Å²	50.7	19%	0.189	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.8	-170.2	63.8	0	0	0	0	116.2	F899 H904 C921 V923	F899-C902 CarbonylContact O-C 3.59Å; F899-C902 PolarHBondContact O-N 3.32Å; F899-C902 PolarHBondContact O-SG 3.25Å; C902-H904 PolarHBondContact O-N 3.42Å; C902-C921 WeakPolarHBondContact CB-SG 3.35Å; C902-V923 HydrophobicContact CB-CB 4.33Å
903	Q	80.3	Confident	82.6	Confident	108 Å²	108	47.7 Å²	47.7	51%	0.505	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	24.8	-178	-53.8	-68.2	37.7	0	0	114.9	L898 F899 P901	L898-Q903 VanDerWaalsContact CD1-C 3.47Å; L898-Q903 HydrophobicContact CD1-CB 4.21Å; L898-Q903 VanDerWaalsContact CD1-O 3.25Å; L898-Q903 WeakPolarHBondContact CD1-O 3.29Å; F899-Q903 WeakPolarHBondContact O-CA 3.48Å; F899-Q903 PolarHBondContact O-N 2.88Å; P901-Q903 VanDerWaalsContact C-N 3.28Å; P901-Q903 PolarHBondContact O-N 3.38Å
904	H	79.9	Confident	82.6	Confident	42 Å²	42	51.9 Å²	51.9	19%	0.194	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130.6	175.6	-75.2	129.6	0	0	0	110.8	F899 C902 V906 C921	F899-H904 WeakPolarHBondContact CB-O 3.44Å; F899-H904 PolarHBondContact N-O 3.22Å; C902-H904 PolarHBondContact O-N 3.42Å; H904-V906 HydrophobicContact CB-CG1 4.06Å; H904-C921 PolarHBondContact ND1-SG 3.39Å; H904-C921 VanDerWaalsContact ND1-SG 3.36Å
905	S	86.4	Confident	82.7	Confident	53 Å²	53	51.8 Å²	51.8	37%	0.371	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	94.9	169.7	-55.9	0	0	0	0	109	L896 V897 L898	L896-S905 VanDerWaalsContact CD1-O 3.24Å; L896-S905 WeakPolarHBondContact CD1-O 3.35Å; V897-S905 WeakPolarHBondContact O-CA 3.05Å; L898-S905 WeakPolarHBondContact CD1-OG 3.49Å
906	V	85.2	Confident	82.8	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-14.7	-167.6	-69.7	0	0	0	0	114	L888 F899 H904 I919 K920	L888-V906 WeakPolarHBondContact CB-O 3.42Å; L888-V906 HydrophobicContact CD1-CB 3.88Å; L888-V906 HydrophobicContact CD1-CG1 3.88Å; L888-V906 HydrophobicContact CG-CB 4.38Å; L888-V906 PolarHBondContact N-O 2.88Å; F899-V906 HydrophobicContact CD2-CG2 3.92Å; F899-V906 HydrophobicContact CE2-CG2 3.58Å; F899-V906 HydrophobicContact CZ-CG2 4.47Å; H904-V906 HydrophobicContact CB-CG1 4.06Å; V906-I919 HydrophobicContact CB-CG1 4.47Å; V906-I919 HydrophobicContact CG2-CD1 4.48Å; V906-I919 HydrophobicContact CG2-CG1 4Å; V906-K920 HydrophobicContact CG1-CB 3.95Å; V906-K920 HydrophobicContact CG1-CD 3.89Å
907	A	85.8	Confident	82.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.4	-179.3	0	0	0	0	0	110.8	C887 I889 L896 V897 F899 C911 A912 M915	C887-A907 VanDerWaalsContact SG-CA 3.56Å; I889-A907 HydrophobicContact CD1-CB 4.16Å; I889-A907 HydrophobicContact CG1-CB 4.48Å; L896-A907 WeakPolarHBondContact CA-O 3.19Å; V897-A907 PolarHBondContact N-O 3.42Å; F899-A907 HydrophobicContact CZ-CB 4.03Å; A907-C911 HydrophobicContact CB-CB 4.04Å; A907-A912 HydrophobicContact CB-CB 4.16Å; A907-M915 HydrophobicContact CB-SD 3.77Å
908	C	88.6	Confident	82.3	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	168.5	168.4	71.5	0	0	0	0	110	C887 A894 L896 E910 C911 A912	C887-C908 HydrophobicContact CB-CB 4Å; C887-C908 PolarHBondContact SG-N 3.24Å; A894-C908 HydrophobicContact CB-CB 3.5Å; A894-C908 VanDerWaalsContact CB-CB 3.5Å; L896-C908 HydrophobicContact CD2-CB 4.49Å; C908-E910 VanDerWaalsContact C-N 3.33Å; C908-E910 PolarHBondContact O-N 3.3Å; C908-C911 PolarHBondContact O-N 3.24Å; C908-C911 VanDerWaalsContact SG-CB 3.6Å; C908-C911 PolarHBondContact SG-N 3.4Å; C908-C911 VanDerWaalsContact SG-N 3.44Å; C908-A912 WeakPolarHBondContact O-CB 3.16Å; C908-A912 PolarHBondContact O-N 3.37Å
909	E	85.8	Confident	82	Confident	72 Å²	72	61 Å²	61	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-56.2	-45.5	-177.8	-175.4	172.4	163.2	0	0	113.5	V897 A912 H913 R930 V936	V897-E909 HydrophobicContact CG2-CB 3.91Å; V897-E909 HydrophobicContact CG2-CG 4.43Å; E909-A912 PolarHBondContact O-N 3.36Å; E909-H913 PolarHBondContact O-N 2.86Å; E909-H913 VanDerWaalsContact O-N 3.09Å; E909-R930 IonicContact OE1-CZ 3.69Å; E909-R930 VanDerWaalsContact OE1-CZ 3.27Å; E909-R930 IonicContact OE1-NE 2.9Å; E909-R930 PolarHBondContact OE1-NE 3.38Å; E909-R930 VanDerWaalsContact OE1-NE 3.1Å; E909-R930 IonicContact OE1-NH2 2.93Å; E909-R930 PolarHBondContact OE1-NH2 2.74Å; E909-R930 IonicContact OE2-CZ 3.68Å; E909-R930 IonicContact OE2-NE 2.73Å; E909-R930 PolarHBondContact OE2-NE 3.31Å; E909-R930 IonicContact OE2-NH2 3.92Å; E909-V936 HydrophobicContact CG-CG1 4.02Å; E909-V936 HydrophobicContact CG-CG2 4.2Å
910	E	83.6	Confident	81.3	Confident	158 Å²	158	65.3 Å²	65.3	74%	0.738	31%	0.313	S	S	*	.	H	α-helix	trans	-64.1	-45.2	-179.3	-59.3	-169.9	167.8	0	0	111.9	C908 H913	C908-E910 VanDerWaalsContact C-N 3.33Å; C908-E910 PolarHBondContact O-N 3.3Å; E910-H913 WeakPolarHBondContact O-CB 3.26Å; E910-H913 PolarHBondContact O-N 3.37Å
911	C	83.7	Confident	81.2	Confident	29 Å²	29	66.5 Å²	66.5	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-70.1	-34.5	178.4	-71.3	0	0	0	0	112.3	I889 A907 C908 H913 M915	I889-C911 HydrophobicContact CB-CB 3.83Å; I889-C911 HydrophobicContact CD1-CB 4.06Å; I889-C911 HydrophobicContact CG1-CB 4.37Å; I889-C911 HydrophobicContact CG2-CB 4.02Å; A907-C911 HydrophobicContact CB-CB 4.04Å; C908-C911 PolarHBondContact O-N 3.24Å; C908-C911 VanDerWaalsContact SG-CB 3.6Å; C908-C911 PolarHBondContact SG-N 3.4Å; C908-C911 VanDerWaalsContact SG-N 3.44Å; C911-H913 VanDerWaalsContact C-N 3.3Å; C911-H913 PolarHBondContact O-N 3.24Å; C911-M915 WeakPolarHBondContact O-CG 3.28Å
912	A	86	Confident	81.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-69.2	-26.9	178	0	0	0	0	0	112.9	V897 F899 A907 C908 E909 R914 M915 K928	V897-A912 HydrophobicContact CB-CB 4.16Å; V897-A912 HydrophobicContact CG2-CB 4.3Å; F899-A912 HydrophobicContact CE1-CB 3.62Å; F899-A912 HydrophobicContact CZ-CB 3.73Å; A907-A912 HydrophobicContact CB-CB 4.16Å; C908-A912 WeakPolarHBondContact O-CB 3.16Å; C908-A912 PolarHBondContact O-N 3.37Å; E909-A912 PolarHBondContact O-N 3.36Å; A912-R914 VanDerWaalsContact C-N 3.29Å; A912-R914 PolarHBondContact O-N 3.5Å; A912-R914 VanDerWaalsContact O-N 3.14Å; A912-M915 PolarHBondContact O-N 3.36Å; A912-K928 VanDerWaalsContact O-CE 3.31Å; A912-K928 WeakPolarHBondContact O-CE 3.28Å; A912-K928 PolarHBondContact O-NZ 3.31Å
913	H	81.6	Confident	82	Confident	61 Å²	61	69.9 Å²	69.9	28%	0.282	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-41.9	-168.7	-168.9	80.4	0	0	0	113.3	E909 E910 C911 K928 D937	E909-H913 PolarHBondContact O-N 2.86Å; E909-H913 VanDerWaalsContact O-N 3.09Å; E910-H913 WeakPolarHBondContact O-CB 3.26Å; E910-H913 PolarHBondContact O-N 3.37Å; C911-H913 VanDerWaalsContact C-N 3.3Å; C911-H913 PolarHBondContact O-N 3.24Å; H913-K928 PolarHBondContact O-NZ 3.46Å; H913-D937 PolarHBondContact CE1-O 2.97Å; H913-D937 PolarHBondContact ND1-O 3.44Å
914	R	80.2	Confident	81.8	Confident	225 Å²	225	68.7 Å²	68.7	85%	0.849	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.2	-178.3	-62.5	-177.2	68.7	-167.5	1.5	115.2	A912 K916	A912-R914 VanDerWaalsContact C-N 3.29Å; A912-R914 PolarHBondContact O-N 3.5Å; A912-R914 VanDerWaalsContact O-N 3.14Å; R914-K916 PolarHBondContact O-N 2.95Å
915	M	82.8	Confident	82	Confident	22 Å²	22	67.6 Å²	67.6	11%	0.108	33%	0.327	C	S	.	.			trans	-74.8	128.3	-175.3	-60.7	-178.3	74	0	0	111.8	I889 F899 A907 C911 A912 I919 I925 K928	I889-M915 HydrophobicContact CD1-CE 3.87Å; I889-M915 HydrophobicContact CD1-CG 4.37Å; I889-M915 HydrophobicContact CD1-SD 3.49Å; I889-M915 WeakPolarHBondContact CD1-SD 3.39Å; F899-M915 HydrophobicContact CE2-CE 3.85Å; F899-M915 HydrophobicContact CE2-SD 3.81Å; F899-M915 HydrophobicContact CZ-CE 4.28Å; F899-M915 HydrophobicContact CZ-SD 3.6Å; A907-M915 HydrophobicContact CB-SD 3.77Å; C911-M915 WeakPolarHBondContact O-CG 3.28Å; A912-M915 PolarHBondContact O-N 3.36Å; M915-I919 HydrophobicContact CE-CB 4.18Å; M915-I919 HydrophobicContact CE-CD1 4.42Å; M915-I919 HydrophobicContact CE-CG1 3.98Å; M915-I919 HydrophobicContact CE-CG2 3.44Å; M915-I919 VanDerWaalsContact CE-CG2 3.44Å; M915-I925 HydrophobicContact CB-CD1 3.81Å; M915-K928 WeakPolarHBondContact O-CE 3.39Å; M915-K928 PolarHBondContact O-NZ 3.15Å
916	K	83	Confident	81.5	Confident	173 Å²	173	69.9 Å²	69.9	75%	0.752	34%	0.339	S	S	*	.	S	Bend	trans	-105.1	-15.6	173.2	-63.4	-175.2	179.5	-177.5	0	113	R914 T924 I925	R914-K916 PolarHBondContact O-N 2.95Å; K916-T924 WeakPolarHBondContact O-CA 3.46Å; K916-I925 PolarHBondContact O-N 2.94Å
917	K	81.5	Confident	81.3	Confident	119 Å²	119	74.8 Å²	74.8	52%	0.517	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-136.5	144.4	177	-66.8	-174.2	175.9	-173.8	0	109.8	I919 V923 I925	K917-I919 PolarHBondContact O-N 3.5Å; K917-V923 CarbonylContact C-O 3.14Å; K917-V923 WeakPolarHBondContact CA-O 3.25Å; K917-I925 VanDerWaalsContact C-CD1 3.42Å; K917-I925 WeakPolarHBondContact O-CD1 3.23Å
918	C	79.7	Confident	81.4	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	36%	0.363	C	S	.	.			trans	-72.2	124.8	177.8	177.4	0	0	0	0	109.7	F899 K920 C921 Q922 V923 I925	F899-C918 HydrophobicContact CD2-CB 4.07Å; C918-K920 PolarHBondContact O-N 3.04Å; C918-C921 PolarHBondContact O-N 3.34Å; C918-C921 VanDerWaalsContact SG-SG 3.66Å; C918-Q922 WeakPolarHBondContact O-CA 3.39Å; C918-Q922 PolarHBondContact O-N 3.31Å; C918-V923 PolarHBondContact N-O 3.08Å; C918-I925 HydrophobicContact CB-CD1 4.48Å; C918-I925 HydrophobicContact CB-CG1 4.23Å
919	I	81.9	Confident	81	Confident	71 Å²	71	77.2 Å²	77.2	36%	0.364	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24	-179.3	54.5	172.1	0	0	0	113.2	L888 I889 V906 M915 K917 Q922	L888-I919 HydrophobicContact CB-CD1 3.81Å; L888-I919 HydrophobicContact CD1-CD1 4.47Å; I889-I919 HydrophobicContact CD1-CD1 4.28Å; I889-I919 HydrophobicContact CG1-CD1 3.89Å; V906-I919 HydrophobicContact CB-CG1 4.47Å; V906-I919 HydrophobicContact CG2-CD1 4.48Å; V906-I919 HydrophobicContact CG2-CG1 4Å; M915-I919 HydrophobicContact CE-CB 4.18Å; M915-I919 HydrophobicContact CE-CD1 4.42Å; M915-I919 HydrophobicContact CE-CG1 3.98Å; M915-I919 HydrophobicContact CE-CG2 3.44Å; M915-I919 VanDerWaalsContact CE-CG2 3.44Å; K917-I919 PolarHBondContact O-N 3.5Å; I919-Q922 PolarHBondContact O-NE2 2.94Å
920	K	71.9	Confident	80.8	Confident	90 Å²	90	78 Å²	78	39%	0.391	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-37.1	-178.6	-176.5	166.8	178.5	171.3	0	113.3	N875 V906 C918	N875-K920 PolarHBondContact OD1-NZ 3.26Å; V906-K920 HydrophobicContact CG1-CB 3.95Å; V906-K920 HydrophobicContact CG1-CD 3.89Å; C918-K920 PolarHBondContact O-N 3.04Å
921	C	74.7	Confident	80.2	Confident	46 Å²	46	74.8 Å²	74.8	31%	0.311	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	1.2	-176.4	65.6	0	0	0	0	115	C902 H904 C918 V923	C902-C921 WeakPolarHBondContact CB-SG 3.35Å; H904-C921 PolarHBondContact ND1-SG 3.39Å; H904-C921 VanDerWaalsContact ND1-SG 3.36Å; C918-C921 PolarHBondContact O-N 3.34Å; C918-C921 VanDerWaalsContact SG-SG 3.66Å; C921-V923 HydrophobicContact CB-CG2 4.33Å; C921-V923 PolarHBondContact O-N 3.15Å
922	Q	80.9	Confident	79.7	Confident	123 Å²	123	78.3 Å²	78.3	58%	0.575	37%	0.372	S	S	*	.			trans	60.7	4.6	179.5	-57	-61.7	-31.4	0	0	116	C918 I919	C918-Q922 WeakPolarHBondContact O-CA 3.39Å; C918-Q922 PolarHBondContact O-N 3.31Å; I919-Q922 PolarHBondContact O-NE2 2.94Å
923	V	78.8	Confident	79	Confident	61 Å²	61	86.5 Å²	86.5	37%	0.37	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66.3	136.8	174.4	178.1	0	0	0	0	110.3	P901 C902 K917 C918 C921 I925	P901-V923 HydrophobicContact CG-CG1 3.98Å; C902-V923 HydrophobicContact CB-CB 4.33Å; K917-V923 CarbonylContact C-O 3.14Å; K917-V923 WeakPolarHBondContact CA-O 3.25Å; C918-V923 PolarHBondContact N-O 3.08Å; C921-V923 HydrophobicContact CB-CG2 4.33Å; C921-V923 PolarHBondContact O-N 3.15Å; V923-I925 PolarHBondContact O-N 2.96Å
924	T	75.6	Confident	78.8	Confident	83 Å²	83	86.4 Å²	86.4	51%	0.509	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-61.1	125.9	174.9	-55	0	0	0	0	110.4	K916 T926	K916-T924 WeakPolarHBondContact O-CA 3.46Å; T924-T926 PolarHBondContact O-N 3.36Å
925	I	84.3	Confident	78.8	Confident	18 Å²	18	80.7 Å²	80.7	9%	0.092	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-81.9	119.8	-178.3	-56.7	165.9	0	0	0	107.8	F899 C900 M915 K916 K917 C918 V923 K927 K928	F899-I925 HydrophobicContact CB-CD1 4.41Å; F899-I925 HydrophobicContact CB-CG1 4.16Å; F899-I925 HydrophobicContact CB-CG2 4.1Å; F899-I925 HydrophobicContact CD1-CD1 4.18Å; F899-I925 HydrophobicContact CD1-CG2 4.2Å; F899-I925 HydrophobicContact CD2-CD1 3.43Å; F899-I925 VanDerWaalsContact CD2-CD1 3.43Å; F899-I925 HydrophobicContact CD2-CG1 4Å; F899-I925 HydrophobicContact CE1-CD1 4.31Å; F899-I925 HydrophobicContact CE2-CD1 3.57Å; F899-I925 HydrophobicContact CG-CD1 3.76Å; F899-I925 HydrophobicContact CG-CG1 4.05Å; F899-I925 HydrophobicContact CG-CG2 4.17Å; F899-I925 HydrophobicContact CZ-CD1 4.01Å; C900-I925 WeakPolarHBondContact O-CA 3.47Å; M915-I925 HydrophobicContact CB-CD1 3.81Å; K916-I925 PolarHBondContact O-N 2.94Å; K917-I925 VanDerWaalsContact C-CD1 3.42Å; K917-I925 WeakPolarHBondContact O-CD1 3.23Å; C918-I925 HydrophobicContact CB-CD1 4.48Å; C918-I925 HydrophobicContact CB-CG1 4.23Å; V923-I925 PolarHBondContact O-N 2.96Å; I925-K927 WeakPolarHBondContact CG2-O 3.36Å; I925-K928 HydrophobicContact CG2-CG 3.76Å
926	T	75.8	Confident	78.5	Confident	101 Å²	101	79.9 Å²	79.9	62%	0.62	39%	0.394	S	S	*	.			trans	-96.8	-30.9	178.6	55.4	0	0	0	0	112.7	C900 T924	C900-T926 PolarHBondContact O-N 3.45Å; C900-T926 PolarHBondContact O-OG1 3.13Å; T924-T926 PolarHBondContact O-N 3.36Å
927	K	80.4	Confident	77.4	Confident	109 Å²	109	77.8 Å²	77.8	47%	0.474	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.6	176.3	-59.6	-169.5	176.5	-166.9	0	111.4	C900 I925	C900-K927 HydrophobicContact CB-CB 4.07Å; C900-K927 PolarHBondContact N-O 3.41Å; I925-K927 WeakPolarHBondContact CG2-O 3.36Å
928	K	88.2	Confident	76	Confident	16 Å²	16	76 Å²	76	7%	0.07	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113.1	-179	-64.2	173.7	-167.2	172.8	0	108.6	V897 L898 F899 A912 H913 M915 I925 E935 V936	V897-K928 HydrophobicContact CG1-CB 3.84Å; L898-K928 WeakPolarHBondContact O-CA 3.4Å; F899-K928 HydrophobicContact CD1-CG 4.06Å; F899-K928 HydrophobicContact CE1-CG 4.15Å; A912-K928 VanDerWaalsContact O-CE 3.31Å; A912-K928 WeakPolarHBondContact O-CE 3.28Å; A912-K928 PolarHBondContact O-NZ 3.31Å; H913-K928 PolarHBondContact O-NZ 3.46Å; M915-K928 WeakPolarHBondContact O-CE 3.39Å; M915-K928 PolarHBondContact O-NZ 3.15Å; I925-K928 HydrophobicContact CG2-CG 3.76Å; K928-E935 WeakPolarHBondContact O-CA 3.5Å; K928-V936 HydrophobicContact CB-CB 4.05Å; K928-V936 HydrophobicContact CB-CG2 4.25Å; K928-V936 PolarHBondContact O-N 2.93Å
929	I	80.1	Confident	74.3	Confident	45 Å²	45	80.1 Å²	80.1	23%	0.231	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.4	-168.7	-54.9	177.2	0	0	0	109.4	V897 L898	V897-I929 WeakPolarHBondContact CG1-O 3.25Å; L898-I929 HydrophobicContact CB-CB 4.37Å; L898-I929 WeakPolarHBondContact CB-O 3.3Å; L898-I929 PolarHBondContact N-O 3.2Å; L898-I929 PolarHBondContact O-N 3.05Å
930	R	82.9	Confident	72.3	Confident	87 Å²	87	82.7 Å²	82.7	33%	0.328	44%	0.442	S	S	.	.			trans	-70	166.8	173.2	-66.9	-169.4	-174.1	138.3	-1.8	111	E909 D932 Q933 T934 V936	E909-R930 IonicContact OE1-CZ 3.69Å; E909-R930 VanDerWaalsContact OE1-CZ 3.27Å; E909-R930 IonicContact OE1-NE 2.9Å; E909-R930 PolarHBondContact OE1-NE 3.38Å; E909-R930 VanDerWaalsContact OE1-NE 3.1Å; E909-R930 IonicContact OE1-NH2 2.93Å; E909-R930 PolarHBondContact OE1-NH2 2.74Å; E909-R930 IonicContact OE2-CZ 3.68Å; E909-R930 IonicContact OE2-NE 2.73Å; E909-R930 PolarHBondContact OE2-NE 3.31Å; E909-R930 IonicContact OE2-NH2 3.92Å; R930-D932 WeakPolarHBondContact CB-OD1 3.27Å; R930-D932 PolarHBondContact O-N 3.26Å; R930-Q933 PolarHBondContact O-N 3.46Å; R930-T934 WeakPolarHBondContact CD-OG1 3.27Å; R930-T934 PolarHBondContact N-O 2.87Å; R930-T934 PolarHBondContact NH1-OG1 3.23Å; R930-V936 HydrophobicContact CG-CG2 3.71Å
931	Q	70	Confident	70.6	Confident	91 Å²	91	81.8 Å²	81.8	43%	0.425	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25	177.8	-74.2	-172	-5.6	0	0	113.8	Q933	Q931-Q933 PolarHBondContact O-N 2.93Å
932	D	72.4	Confident	69	Low	103 Å²	103	86 Å²	86	55%	0.551	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	8.7	173.9	68.2	-4.5	0	0	0	113.4	R930 T934	R930-D932 WeakPolarHBondContact CB-OD1 3.27Å; R930-D932 PolarHBondContact O-N 3.26Å; D932-T934 VanDerWaalsContact C-N 3.25Å; D932-T934 VanDerWaalsContact CG-OG1 3.29Å; D932-T934 PolarHBondContact O-N 3.21Å; D932-T934 WeakPolarHBondContact OD1-CB 3.19Å; D932-T934 PolarHBondContact OD1-N 3.41Å; D932-T934 PolarHBondContact OD1-OG1 3.41Å; D932-T934 PolarHBondContact OD2-OG1 2.95Å
933	Q	71.8	Confident	67.2	Low	173 Å²	173	89.3 Å²	89.3	81%	0.808	50%	0.499	S	S	*	.	S	Bend	trans	66	14.6	-176	-52.3	-166.1	12.5	0	0	115.8	R930 Q931	R930-Q933 PolarHBondContact O-N 3.46Å; Q931-Q933 PolarHBondContact O-N 2.93Å
934	T	77.1	Confident	65.6	Low	58 Å²	58	92 Å²	92	36%	0.356	51%	0.511	S	S	.	.			trans	-84.9	149.4	171.3	65	0	0	0	0	111.9	R930 D932	R930-T934 WeakPolarHBondContact CD-OG1 3.27Å; R930-T934 PolarHBondContact N-O 2.87Å; R930-T934 PolarHBondContact NH1-OG1 3.23Å; D932-T934 VanDerWaalsContact C-N 3.25Å; D932-T934 VanDerWaalsContact CG-OG1 3.29Å; D932-T934 PolarHBondContact O-N 3.21Å; D932-T934 WeakPolarHBondContact OD1-CB 3.19Å; D932-T934 PolarHBondContact OD1-N 3.41Å; D932-T934 PolarHBondContact OD1-OG1 3.41Å; D932-T934 PolarHBondContact OD2-OG1 2.95Å
935	E	80.1	Confident	64.4	Low	106 Å²	106	91.4 Å²	91.4	50%	0.495	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-84.4	137.4	179.7	-171.2	161.5	-164.8	0	0	110.8	K928 D937	K928-E935 WeakPolarHBondContact O-CA 3.5Å; E935-D937 PolarHBondContact O-N 2.92Å
936	V	76.8	Confident	62.5	Low	4 Å²	4	98.9 Å²	98.9	2%	0.024	55%	0.545	C	S	.	.			trans	-75.5	110.1	178.3	179.7	0	0	0	0	109.5	V897 E909 K928 R930 C938	V897-V936 HydrophobicContact CG1-CG2 3.77Å; V897-V936 HydrophobicContact CG2-CG2 4.17Å; E909-V936 HydrophobicContact CG-CG1 4.02Å; E909-V936 HydrophobicContact CG-CG2 4.2Å; K928-V936 HydrophobicContact CB-CB 4.05Å; K928-V936 HydrophobicContact CB-CG2 4.25Å; K928-V936 PolarHBondContact O-N 2.93Å; R930-V936 HydrophobicContact CG-CG2 3.71Å; V936-C938 PolarHBondContact O-N 3.35Å; V936-C938 PolarHBondContact O-SG 3.4Å
937	D	59.7	Low	61.4	Low	130 Å²	130	101.3 Å²	101.3	70%	0.695	55%	0.549	S	S	*	.			trans	-59.3	125.8	178.7	-89.9	-34.4	0	0	0	111.6	H913 E935 S939	H913-D937 PolarHBondContact CE1-O 2.97Å; H913-D937 PolarHBondContact ND1-O 3.44Å; E935-D937 PolarHBondContact O-N 2.92Å; D937-S939 PolarHBondContact O-N 2.98Å
938	C	51.9	Low	60.1	Low	82 Å²	82	101.6 Å²	101.6	55%	0.554	55%	0.552	S	S	*	*			trans	-99.3	47.5	-175.7	-69.6	0	0	0	0	112.5	V936	V936-C938 PolarHBondContact O-N 3.35Å; V936-C938 PolarHBondContact O-SG 3.4Å
939	S	45.9	Very low	58.6	Low	85 Å²	85	104.9 Å²	104.9	59%	0.594	57%	0.57	S	S	*	*	S	Bend	trans	-115.1	134.7	177.6	-50.6	0	0	0	0	110.6	D937 G941	D937-S939 PolarHBondContact O-N 2.98Å; S939-G941 PolarHBondContact O-N 2.86Å; S939-G941 VanDerWaalsContact O-N 3.1Å
940	P	37.8	Very low	58	Low	125 Å²	125	107.4 Å²	107.4	81%	0.812	58%	0.584	S	S	*	*			trans	-73.2	106.2	-176.3	28.7	-30.9	0	0	0	110.8
941	G	37.5	Very low	57.2	Low	72 Å²	72	107.8 Å²	107.8	74%	0.742	59%	0.592	S	S	*	*			trans	-81.8	127.3	170.5	0	0	0	0	0	111.6	S939 E943	S939-G941 PolarHBondContact O-N 2.86Å; S939-G941 VanDerWaalsContact O-N 3.1Å; G941-E943 PolarHBondContact O-N 3.47Å
942	T	41	Very low	56.9	Low	135 Å²	135	108.7 Å²	108.7	83%	0.828	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	13.2	-161.6	-0.2	0	0	0	0	116.9
943	E	42.4	Very low	56.6	Low	191 Å²	191	110.2 Å²	110.2	89%	0.893	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	-6.9	-163.4	-65.7	-170.4	162	0	0	116.7	G941	G941-E943 PolarHBondContact O-N 3.47Å
944	N	46.7	Very low	56.3	Low	118 Å²	118	106.5 Å²	106.5	63%	0.631	59%	0.585	S	S	*	*	S	Bend	trans	-103	8.9	-177.5	-102.3	-6	0	0	0	115.8	E946	N944-E946 PolarHBondContact O-N 3.22Å
945	S	49.4	Very low	55.8	Low	71 Å²	71	108.5 Å²	108.5	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-73.3	-24	-167.2	-168.3	0	0	0	0	115.1	N949	S945-N949 WeakPolarHBondContact O-CB 3.42Å; S945-N949 VanDerWaalsContact O-CG 3.23Å; S945-N949 PolarHBondContact O-N 3.46Å; S945-N949 PolarHBondContact O-ND2 3.27Å
946	E	45.1	Very low	55.1	Low	175 Å²	175	106.2 Å²	106.2	82%	0.818	59%	0.586	S	S	*	*	H	α-helix	trans	-84.8	-39.8	-173.7	-68.5	-170.3	159.9	0	0	113.3	N944 L950	N944-E946 PolarHBondContact O-N 3.22Å; E946-L950 PolarHBondContact O-N 3.34Å; E946-L950 VanDerWaalsContact O-N 3.13Å
947	Q	51.5	Low	54.8	Low	151 Å²	151	114.4 Å²	114.4	71%	0.706	62%	0.617	S	S	*	*	H	α-helix	trans	-71.2	-35.5	177.3	-74.3	-179.4	-15.4	0	0	112.1	L950 L951	Q947-L950 PolarHBondContact O-N 3.41Å; Q947-L951 PolarHBondContact O-N 2.68Å
948	H	53.9	Low	55.3	Low	115 Å²	115	115 Å²	115	53%	0.532	61%	0.61	S	S	.	*	H	α-helix	trans	-69.1	-41.5	176.9	-160	58.9	0	0	0	111.9	L950 L951 E952	H948-L950 VanDerWaalsContact C-N 3.3Å; H948-L950 PolarHBondContact O-N 3.24Å; H948-L951 PolarHBondContact O-N 3.38Å; H948-E952 PolarHBondContact O-N 2.99Å
949	N	57	Low	56.1	Low	85 Å²	85	118.3 Å²	118.3	46%	0.455	61%	0.611	S	S	.	*	H	α-helix	trans	-62.6	-35.7	174	-83.3	-28.7	0	0	0	112.4	S945 Q953	S945-N949 WeakPolarHBondContact O-CB 3.42Å; S945-N949 VanDerWaalsContact O-CG 3.23Å; S945-N949 PolarHBondContact O-N 3.46Å; S945-N949 PolarHBondContact O-ND2 3.27Å; N949-Q953 WeakPolarHBondContact O-CB 3.47Å; N949-Q953 WeakPolarHBondContact O-CG 3.48Å; N949-Q953 PolarHBondContact O-N 3.19Å
950	L	67.5	Low	57	Low	99 Å²	99	118.9 Å²	118.9	52%	0.518	60%	0.604	S	S	.	*	H	α-helix	trans	-70.1	-39.8	175.7	-174.6	66	0	0	0	111.9	E946 Q947 H948 Q953 L954	E946-L950 PolarHBondContact O-N 3.34Å; E946-L950 VanDerWaalsContact O-N 3.13Å; Q947-L950 PolarHBondContact O-N 3.41Å; H948-L950 VanDerWaalsContact C-N 3.3Å; H948-L950 PolarHBondContact O-N 3.24Å; L950-Q953 PolarHBondContact O-N 3.29Å; L950-L954 HydrophobicContact CG-CD1 4.21Å; L950-L954 WeakPolarHBondContact O-CB 3.44Å; L950-L954 VanDerWaalsContact O-CG 3.29Å; L950-L954 WeakPolarHBondContact O-CG 3.41Å; L950-L954 PolarHBondContact O-N 3.2Å
951	L	64.5	Low	58.4	Low	94 Å²	94	119 Å²	119	49%	0.492	60%	0.596	S	S	.	*	H	α-helix	trans	-66.6	-42.5	177.7	-153.5	90.6	0	0	0	111.6	Q947 H948 L954 Q955	Q947-L951 PolarHBondContact O-N 2.68Å; H948-L951 PolarHBondContact O-N 3.38Å; L951-L954 PolarHBondContact O-N 3.01Å; L951-Q955 WeakPolarHBondContact O-CB 3.24Å; L951-Q955 WeakPolarHBondContact O-CG 3.38Å; L951-Q955 PolarHBondContact O-N 3.07Å
952	E	64.4	Low	59.8	Low	110 Å²	110	119.5 Å²	119.5	51%	0.514	58%	0.579	S	S	.	*	H	α-helix	trans	-63.9	-39.7	173.6	-88.3	-169	145	0	0	111.8	H948 L954 S956	H948-E952 PolarHBondContact O-N 2.99Å; E952-L954 PolarHBondContact O-N 3.24Å; E952-S956 WeakPolarHBondContact O-CB 3.3Å; E952-S956 PolarHBondContact O-N 2.86Å
953	Q	66.1	Low	61	Low	136 Å²	136	119.8 Å²	119.8	64%	0.636	57%	0.57	S	S	*	*	H	α-helix	trans	-62.9	-40.9	173.7	-85.8	-174.3	5.3	0	0	112.5	N949 L950 R957	N949-Q953 WeakPolarHBondContact O-CB 3.47Å; N949-Q953 WeakPolarHBondContact O-CG 3.48Å; N949-Q953 PolarHBondContact O-N 3.19Å; L950-Q953 PolarHBondContact O-N 3.29Å; Q953-R957 WeakPolarHBondContact O-CB 3.49Å; Q953-R957 PolarHBondContact O-N 3.49Å
954	L	65.6	Low	62.2	Low	95 Å²	95	119.8 Å²	119.8	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-70.9	-41.5	179	-72.2	171.3	0	0	0	112.2	L950 L951 E952 R957 Y958	L950-L954 HydrophobicContact CG-CD1 4.21Å; L950-L954 WeakPolarHBondContact O-CB 3.44Å; L950-L954 VanDerWaalsContact O-CG 3.29Å; L950-L954 WeakPolarHBondContact O-CG 3.41Å; L950-L954 PolarHBondContact O-N 3.2Å; L951-L954 PolarHBondContact O-N 3.01Å; E952-L954 PolarHBondContact O-N 3.24Å; L954-R957 PolarHBondContact O-N 3.48Å; L954-Y958 WeakPolarHBondContact O-CB 3.29Å; L954-Y958 PolarHBondContact O-N 3.4Å
955	Q	67.2	Low	63.6	Low	99 Å²	99	118.2 Å²	118.2	46%	0.463	55%	0.553	S	S	.	*	H	α-helix	trans	-66.9	-37.5	175.3	-75.2	-178.4	-11.9	0	0	112.1	L951 Y958 R959	L951-Q955 WeakPolarHBondContact O-CB 3.24Å; L951-Q955 WeakPolarHBondContact O-CG 3.38Å; L951-Q955 PolarHBondContact O-N 3.07Å; Q955-Y958 PolarHBondContact O-N 3.11Å; Q955-R959 PolarHBondContact O-N 3.09Å
956	S	66.1	Low	65.2	Low	59 Å²	59	116.5 Å²	116.5	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-64	-43.1	172.6	-175.1	0	0	0	0	111.3	E952 Y958 R959 Q960	E952-S956 WeakPolarHBondContact O-CB 3.3Å; E952-S956 PolarHBondContact O-N 2.86Å; S956-Y958 PolarHBondContact O-N 3.25Å; S956-R959 PolarHBondContact O-N 2.89Å; S956-Q960 WeakPolarHBondContact O-CB 3.4Å; S956-Q960 VanDerWaalsContact O-CG 3.31Å; S956-Q960 WeakPolarHBondContact O-CG 3.37Å; S956-Q960 PolarHBondContact O-N 3.23Å
957	R	69.1	Low	67.1	Low	176 Å²	176	108.2 Å²	108.2	66%	0.664	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-41.3	174.7	-113.1	-178.2	176.2	166.8	0.3	112.7	Q953 L954 Q960 M961	Q953-R957 WeakPolarHBondContact O-CB 3.49Å; Q953-R957 PolarHBondContact O-N 3.49Å; L954-R957 PolarHBondContact O-N 3.48Å; R957-Q960 PolarHBondContact O-N 3.45Å; R957-M961 WeakPolarHBondContact O-CG 3.48Å; R957-M961 PolarHBondContact O-N 3.22Å
958	Y	70.8	Confident	68.3	Low	141 Å²	141	104.4 Å²	104.4	55%	0.553	49%	0.489	S	S	*	.	H	α-helix	trans	-64.8	-46.7	178.9	-177.7	-94.7	0	0	0	111.4	L954 Q955 S956 Q960 M961 E962	L954-Y958 WeakPolarHBondContact O-CB 3.29Å; L954-Y958 PolarHBondContact O-N 3.4Å; Q955-Y958 PolarHBondContact O-N 3.11Å; S956-Y958 PolarHBondContact O-N 3.25Å; Y958-Q960 VanDerWaalsContact C-N 3.35Å; Y958-Q960 PolarHBondContact O-N 2.85Å; Y958-M961 WeakPolarHBondContact O-CA 3.38Å; Y958-M961 WeakPolarHBondContact O-CB 3.19Å; Y958-M961 PolarHBondContact O-N 2.93Å; Y958-E962 HydrophobicContact CD1-CG 4.43Å; Y958-E962 HydrophobicContact CE1-CG 3.88Å; Y958-E962 WeakPolarHBondContact CE1-OE1 3.33Å; Y958-E962 WeakPolarHBondContact CE1-OE2 3.4Å; Y958-E962 PolarHBondContact O-N 3.18Å; Y958-E962 PolarHBondContact OH-OE1 2.95Å
959	R	67.9	Low	69.6	Low	153 Å²	153	102.5 Å²	102.5	58%	0.577	48%	0.482	S	S	*	.	H	α-helix	trans	-60.1	-42.3	174	-107.1	-178.7	-86.5	177.2	-6.8	112.4	Q955 S956 M961 E962 E963	Q955-R959 PolarHBondContact O-N 3.09Å; S956-R959 PolarHBondContact O-N 2.89Å; R959-M961 PolarHBondContact O-N 3.45Å; R959-E962 PolarHBondContact O-N 2.75Å; R959-E963 WeakPolarHBondContact O-CB 3.39Å; R959-E963 WeakPolarHBondContact O-CG 3.47Å; R959-E963 PolarHBondContact O-N 3.07Å
960	Q	66.3	Low	70.8	Confident	96 Å²	96	100 Å²	100	45%	0.449	47%	0.471	S	S	.	.	H	α-helix	trans	-64.5	-25.7	174.1	-74.7	178	13.6	0	0	113.3	S956 R957 Y958 R964	S956-Q960 WeakPolarHBondContact O-CB 3.4Å; S956-Q960 VanDerWaalsContact O-CG 3.31Å; S956-Q960 WeakPolarHBondContact O-CG 3.37Å; S956-Q960 PolarHBondContact O-N 3.23Å; R957-Q960 PolarHBondContact O-N 3.45Å; Y958-Q960 VanDerWaalsContact C-N 3.35Å; Y958-Q960 PolarHBondContact O-N 2.85Å; Q960-R964 WeakPolarHBondContact O-CD 3.27Å; Q960-R964 WeakPolarHBondContact O-CG 3.47Å
961	M	65.9	Low	71.4	Confident	129 Å²	129	101.1 Å²	101.1	64%	0.635	48%	0.477	S	S	*	.	H	α-helix	trans	-79.6	-39.8	173.9	-74	-179.3	74.1	0	0	111.8	R957 Y958 R959 R964 I965	R957-M961 WeakPolarHBondContact O-CG 3.48Å; R957-M961 PolarHBondContact O-N 3.22Å; Y958-M961 WeakPolarHBondContact O-CA 3.38Å; Y958-M961 WeakPolarHBondContact O-CB 3.19Å; Y958-M961 PolarHBondContact O-N 2.93Å; R959-M961 PolarHBondContact O-N 3.45Å; M961-R964 PolarHBondContact O-N 2.82Å; M961-I965 PolarHBondContact O-N 3.12Å
962	E	67.4	Low	72	Confident	82 Å²	82	103.1 Å²	103.1	38%	0.383	49%	0.488	S	S	.	.	H	α-helix	trans	-65.1	-41.5	174.6	-79.5	-174.8	153.8	0	0	112.4	Y958 R959 R964 I965 T966	Y958-E962 HydrophobicContact CD1-CG 4.43Å; Y958-E962 HydrophobicContact CE1-CG 3.88Å; Y958-E962 WeakPolarHBondContact CE1-OE1 3.33Å; Y958-E962 WeakPolarHBondContact CE1-OE2 3.4Å; Y958-E962 PolarHBondContact O-N 3.18Å; Y958-E962 PolarHBondContact OH-OE1 2.95Å; R959-E962 PolarHBondContact O-N 2.75Å; E962-R964 PolarHBondContact O-N 3.02Å; E962-I965 WeakPolarHBondContact O-CG1 3.47Å; E962-I965 PolarHBondContact O-N 2.87Å; E962-T966 WeakPolarHBondContact O-CG2 3.49Å; E962-T966 PolarHBondContact O-N 2.92Å; E962-T966 VanDerWaalsContact O-N 3.15Å; E962-T966 PolarHBondContact O-OG1 3.23Å
963	E	65.3	Low	73	Confident	140 Å²	140	101.3 Å²	101.3	65%	0.654	48%	0.481	S	S	*	.	H	α-helix	trans	-63.1	-23.9	174.9	-75.8	176.4	-178.9	0	0	112.7	R959 T966	R959-E963 WeakPolarHBondContact O-CB 3.39Å; R959-E963 WeakPolarHBondContact O-CG 3.47Å; R959-E963 PolarHBondContact O-N 3.07Å; E963-T966 WeakPolarHBondContact CA-OG1 3.12Å
964	R	68.3	Low	73.9	Confident	192 Å²	192	99.8 Å²	99.8	73%	0.725	47%	0.474	S	S	*	.	H	α-helix	trans	-83	-17.5	178.7	-77.3	174.9	-172.8	-162.2	3.1	114.1	Q960 M961 E962	Q960-R964 WeakPolarHBondContact O-CD 3.27Å; Q960-R964 WeakPolarHBondContact O-CG 3.47Å; M961-R964 PolarHBondContact O-N 2.82Å; E962-R964 PolarHBondContact O-N 3.02Å
965	I	76.6	Confident	74.9	Confident	84 Å²	84	96.9 Å²	96.9	43%	0.431	46%	0.459	S	S	.	.	H	α-helix	trans	-113	-5.4	-177.1	64.2	176.5	0	0	0	113.1	M961 E962 H974 I975	M961-I965 PolarHBondContact O-N 3.12Å; E962-I965 WeakPolarHBondContact O-CG1 3.47Å; E962-I965 PolarHBondContact O-N 2.87Å; I965-H974 CarbonylContact O-C 3.49Å; I965-H974 VanDerWaalsContact O-CA 3.24Å; I965-H974 WeakPolarHBondContact O-CA 3.43Å; I965-I975 PolarHBondContact O-N 3Å
966	T	83.8	Confident	75.7	Confident	36 Å²	36	97.5 Å²	97.5	22%	0.221	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-90.1	143.5	176.8	39.7	0	0	0	0	111.7	E962 E963 I975	E962-T966 WeakPolarHBondContact O-CG2 3.49Å; E962-T966 PolarHBondContact O-N 2.92Å; E962-T966 VanDerWaalsContact O-N 3.15Å; E962-T966 PolarHBondContact O-OG1 3.23Å; E963-T966 WeakPolarHBondContact CA-OG1 3.12Å; T966-I975 VanDerWaalsContact O-CD1 3.3Å; T966-I975 WeakPolarHBondContact O-CD1 3.28Å; T966-I975 WeakPolarHBondContact O-CG1 3.43Å
967	C	83	Confident	76.6	Confident	0 Å²	0	95.4 Å²	95.4	0%	0	44%	0.444	C	S	.	.			trans	-66.3	124.1	-177.2	177.1	0	0	0	0	109.5	I969 I971 N973 C986	C967-I969 PolarHBondContact O-N 3.12Å; C967-I971 WeakPolarHBondContact O-CA 3.45Å; C967-I971 PolarHBondContact O-N 3.29Å; C967-N973 WeakPolarHBondContact CA-O 3.45Å; C967-N973 WeakPolarHBondContact CB-O 3.47Å; C967-N973 PolarHBondContact N-O 3.33Å; C967-C986 HydrophobicContact CB-CB 3.86Å; C967-C986 PolarHBondContact SG-N 3.38Å
968	P	78.5	Confident	77.5	Confident	72 Å²	72	88.7 Å²	88.7	47%	0.468	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	1	-177	29.2	-35.6	0	0	0	114	A984 I998	P968-A984 WeakPolarHBondContact CD-O 3.29Å; P968-A984 WeakPolarHBondContact CG-O 3.49Å; P968-I998 HydrophobicContact CB-CD1 4.44Å; P968-I998 HydrophobicContact CG-CD1 3.99Å
969	I	81	Confident	78.4	Confident	74 Å²	74	82.1 Å²	82.1	38%	0.379	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-54.2	-176.5	-54.1	176.2	0	0	0	111	C967 C989 L993 P997	C967-I969 PolarHBondContact O-N 3.12Å; I969-C989 HydrophobicContact CB-CB 4.04Å; I969-C989 HydrophobicContact CD1-CB 3.93Å; I969-C989 HydrophobicContact CG2-CB 4.05Å; I969-L993 HydrophobicContact CD1-CD1 3.57Å; I969-P997 HydrophobicContact CD1-CG 3.74Å; I969-P997 HydrophobicContact CG1-CG 4.16Å
970	C	82.1	Confident	79.1	Confident	33 Å²	33	80.7 Å²	80.7	22%	0.223	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-17.7	178.7	66.6	0	0	0	0	113.1	D972 N973 C989	C970-D972 PolarHBondContact O-N 3.21Å; C970-N973 PolarHBondContact SG-N 3.47Å; C970-C989 VanDerWaalsContact CB-SG 3.58Å
971	I	80.4	Confident	79.9	Confident	123 Å²	123	77.8 Å²	77.8	63%	0.631	39%	0.387	S	S	*	.	S	Bend	trans	64.8	-19	-178	-48.4	172.9	0	0	0	113.3	C967	C967-I971 WeakPolarHBondContact O-CA 3.45Å; C967-I971 PolarHBondContact O-N 3.29Å
972	D	77.3	Confident	80.5	Confident	136 Å²	136	74.6 Å²	74.6	73%	0.727	39%	0.386	S	S	*	.	S	Bend	trans	-87.7	-28.5	-176	-59.9	-32	0	0	0	114.8	C970	C970-D972 PolarHBondContact O-N 3.21Å
973	N	83.9	Confident	81.5	Confident	71 Å²	71	73.5 Å²	73.5	38%	0.38	38%	0.381	S	S	.	.	S	Bend	trans	-110	151.2	-174	-74.6	-40.6	0	0	0	111.7	C967 C970 C986	C967-N973 WeakPolarHBondContact CA-O 3.45Å; C967-N973 WeakPolarHBondContact CB-O 3.47Å; C967-N973 PolarHBondContact N-O 3.33Å; C970-N973 PolarHBondContact SG-N 3.47Å; N973-C986 HydrophobicContact CB-CB 3.66Å
974	H	86.4	Confident	82.5	Confident	104 Å²	104	67.7 Å²	67.7	48%	0.481	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-75.9	149	179.3	-69.1	56.7	0	0	0	112.3	I965 K976 C986	I965-H974 CarbonylContact O-C 3.49Å; I965-H974 VanDerWaalsContact O-CA 3.24Å; I965-H974 WeakPolarHBondContact O-CA 3.43Å; H974-K976 PolarHBondContact O-N 3.49Å; H974-C986 WeakPolarHBondContact O-CA 3.36Å; H974-C986 VanDerWaalsContact O-CB 3.26Å; H974-C986 WeakPolarHBondContact O-CB 3.46Å
975	I	85.4	Confident	83.5	Confident	34 Å²	34	58.6 Å²	58.6	17%	0.174	32%	0.323	C	S	.	.			trans	-64	121.7	173	-64.4	170.1	0	0	0	108.7	I965 T966 A984 L1009	I965-I975 PolarHBondContact O-N 3Å; T966-I975 VanDerWaalsContact O-CD1 3.3Å; T966-I975 WeakPolarHBondContact O-CD1 3.28Å; T966-I975 WeakPolarHBondContact O-CG1 3.43Å; I975-A984 HydrophobicContact CD1-CB 4.28Å; I975-A984 HydrophobicContact CG1-CB 4.48Å; I975-A984 HydrophobicContact CG2-CB 3.27Å; I975-L1009 HydrophobicContact CG2-CD1 4.09Å
976	K	84.9	Confident	84.1	Confident	113 Å²	113	54.7 Å²	54.7	49%	0.491	30%	0.303	S	S	.	.			trans	-130.1	-5.3	178.1	-71.1	-171.1	178.6	-175.7	0	113	H974 S985 I987 L1009	H974-K976 PolarHBondContact O-N 3.49Å; K976-S985 PolarHBondContact N-O 3.43Å; K976-S985 VanDerWaalsContact N-O 3.09Å; K976-I987 HydrophobicContact CB-CD1 4.05Å; K976-I987 HydrophobicContact CB-CG1 3.95Å; K976-I987 HydrophobicContact CD-CD1 4.05Å; K976-L1009 PolarHBondContact O-N 3.28Å
977	L	84.4	Confident	84.2	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.5	178.7	-71.5	170.5	0	0	0	110.2	A984 S985 I987 S990 R1006 I1007 Q1008	L977-A984 CarbonylContact O-C 3.44Å; L977-A984 WeakPolarHBondContact O-CA 3.31Å; L977-A984 VanDerWaalsContact O-CB 3.31Å; L977-A984 WeakPolarHBondContact O-CB 3.22Å; L977-S985 PolarHBondContact N-O 2.91Å; L977-S985 PolarHBondContact O-N 3.25Å; L977-I987 HydrophobicContact CD1-CB 4.25Å; L977-I987 HydrophobicContact CD1-CG1 3.91Å; L977-I987 HydrophobicContact CG-CG1 3.97Å; L977-S990 WeakPolarHBondContact CD1-OG 3.47Å; L977-R1006 HydrophobicContact CD2-CB 4.45Å; L977-I1007 CarbonylContact C-O 3.5Å; L977-I1007 WeakPolarHBondContact CA-O 3.35Å; L977-Q1008 HydrophobicContact CD2-CB 3.78Å; L977-Q1008 HydrophobicContact CD2-CG 4.11Å
978	V	88	Confident	84.4	Confident	35 Å²	35	61.8 Å²	61.8	21%	0.212	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.2	171.6	178.8	0	0	0	0	109.2	A984 I1007 L1009	V978-A984 HydrophobicContact CB-CB 4.45Å; V978-A984 HydrophobicContact CG2-CB 3.78Å; V978-I1007 PolarHBondContact N-O 2.85Å; V978-I1007 PolarHBondContact O-N 2.82Å; V978-L1009 HydrophobicContact CG2-CD1 3.58Å; V978-L1009 HydrophobicContact CG2-CD2 3.75Å; V978-L1009 HydrophobicContact CG2-CG 3.7Å
979	F	88.7	Confident	84.7	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	154.3	172.9	-50.7	-45.4	0	0	0	110.3	C981 G982 H983 S985 L993 C996 I1003 R1006	F979-C981 PolarHBondContact O-N 3.37Å; F979-G982 PolarHBondContact O-N 3.14Å; F979-H983 WeakPolarHBondContact CB-O 3.3Å; F979-H983 HydrophobicContact CD2-CB 4.23Å; F979-H983 VanDerWaalsContact CD2-O 3.3Å; F979-H983 WeakPolarHBondContact CD2-O 3.43Å; F979-H983 PolarHBondContact N-O 3.15Å; F979-S985 WeakPolarHBondContact CZ-OG 3.32Å; F979-L993 HydrophobicContact CZ-CD1 4.44Å; F979-C996 HydrophobicContact CD2-CB 4.34Å; F979-I1003 HydrophobicContact CD1-CD1 4.04Å; F979-I1003 HydrophobicContact CD1-CG1 4.22Å; F979-I1003 HydrophobicContact CD1-CG2 3.7Å; F979-I1003 HydrophobicContact CD2-CD1 4.33Å; F979-I1003 HydrophobicContact CD2-CG1 4.5Å; F979-I1003 HydrophobicContact CE1-CD1 3.84Å; F979-I1003 HydrophobicContact CE1-CG2 4.25Å; F979-I1003 HydrophobicContact CE2-CD1 4.14Å; F979-I1003 HydrophobicContact CG-CD1 4.29Å; F979-I1003 HydrophobicContact CG-CG1 4.21Å; F979-I1003 HydrophobicContact CG-CG2 4.27Å; F979-I1003 HydrophobicContact CZ-CD1 3.89Å; F979-R1006 HydrophobicContact CD1-CG 4.09Å; F979-R1006 HydrophobicContact CE1-CG 4.19Å
980	Q	83.6	Confident	84.8	Confident	122 Å²	122	56.6 Å²	56.6	57%	0.57	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-24	177.7	-163.2	179.2	22.7	0	0	114.2	G982 E1005	Q980-G982 PolarHBondContact O-N 3.49Å; Q980-E1005 PolarHBondContact N-O 3.42Å
981	C	82.8	Confident	84.8	Confident	36 Å²	36	58.9 Å²	58.9	24%	0.243	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	5.7	174.1	63.8	0	0	0	0	114.3	F979 H983 C996 C999	F979-C981 PolarHBondContact O-N 3.37Å; C981-H983 VanDerWaalsContact C-N 3.33Å; C981-H983 PolarHBondContact O-N 3Å; C981-H983 PolarHBondContact O-ND1 3.44Å; C981-C996 VanDerWaalsContact SG-SG 3.68Å; C981-C999 PolarHBondContact SG-SG 2.94Å
982	G	79.1	Confident	84.7	Confident	61 Å²	61	57.4 Å²	57.4	63%	0.629	34%	0.338	S	S	*	.	S	Bend	trans	85.3	-5.1	177	0	0	0	0	0	115.5	F979 Q980	F979-G982 PolarHBondContact O-N 3.14Å; Q980-G982 PolarHBondContact O-N 3.49Å
983	H	88.6	Confident	85	Confident	59 Å²	59	52.9 Å²	52.9	27%	0.273	31%	0.314	S	S	.	.			trans	-90.7	155.9	177.5	-64.1	97.9	0	0	0	111.6	F979 C981 I998 C999	F979-H983 WeakPolarHBondContact CB-O 3.3Å; F979-H983 HydrophobicContact CD2-CB 4.23Å; F979-H983 VanDerWaalsContact CD2-O 3.3Å; F979-H983 WeakPolarHBondContact CD2-O 3.43Å; F979-H983 PolarHBondContact N-O 3.15Å; C981-H983 VanDerWaalsContact C-N 3.33Å; C981-H983 PolarHBondContact O-N 3Å; C981-H983 PolarHBondContact O-ND1 3.44Å; H983-I998 HydrophobicContact CB-CD1 4.14Å; H983-I998 VanDerWaalsContact CD2-CG2 3.45Å; H983-I998 WeakPolarHBondContact CD2-CG2 3.5Å; H983-I998 WeakPolarHBondContact NE2-CG2 3.33Å; H983-C999 PolarHBondContact ND1-SG 3.32Å
984	A	86.3	Confident	85	Confident	19 Å²	19	57.7 Å²	57.7	16%	0.157	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.1	-167.7	0	0	0	0	0	113	P968 I975 L977 V978	P968-A984 WeakPolarHBondContact CD-O 3.29Å; P968-A984 WeakPolarHBondContact CG-O 3.49Å; I975-A984 HydrophobicContact CD1-CB 4.28Å; I975-A984 HydrophobicContact CG1-CB 4.48Å; I975-A984 HydrophobicContact CG2-CB 3.27Å; L977-A984 CarbonylContact O-C 3.44Å; L977-A984 WeakPolarHBondContact O-CA 3.31Å; L977-A984 VanDerWaalsContact O-CB 3.31Å; L977-A984 WeakPolarHBondContact O-CB 3.22Å; V978-A984 HydrophobicContact CB-CB 4.45Å; V978-A984 HydrophobicContact CG2-CB 3.78Å
985	S	88.3	Confident	85	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	171.7	177.1	72.8	0	0	0	0	111.7	K976 L977 F979 S990	K976-S985 PolarHBondContact N-O 3.43Å; K976-S985 VanDerWaalsContact N-O 3.09Å; L977-S985 PolarHBondContact N-O 2.91Å; L977-S985 PolarHBondContact O-N 3.25Å; F979-S985 WeakPolarHBondContact CZ-OG 3.32Å; S985-S990 WeakPolarHBondContact OG-CB 3.46Å
986	C	90.5	Very high	84.9	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.02	32%	0.322	C	S	.	.			trans	-70.7	167.8	165	70.5	0	0	0	0	110.9	C967 N973 H974 C989 S990	C967-C986 HydrophobicContact CB-CB 3.86Å; C967-C986 PolarHBondContact SG-N 3.38Å; N973-C986 HydrophobicContact CB-CB 3.66Å; H974-C986 WeakPolarHBondContact O-CA 3.36Å; H974-C986 VanDerWaalsContact O-CB 3.26Å; H974-C986 WeakPolarHBondContact O-CB 3.46Å; C986-C989 VanDerWaalsContact SG-CB 3.54Å; C986-C989 PolarHBondContact SG-N 3.08Å; C986-C989 VanDerWaalsContact SG-N 3.41Å; C986-C989 PolarHBondContact SG-SG 3.14Å; C986-S990 WeakPolarHBondContact O-CB 3.36Å; C986-S990 PolarHBondContact O-N 3.3Å
987	I	85.7	Confident	84.7	Confident	69 Å²	69	52.6 Å²	52.6	35%	0.354	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-47.8	-178.4	-67.4	165.4	0	0	0	110.7	K976 L977 S990 A991	K976-I987 HydrophobicContact CB-CD1 4.05Å; K976-I987 HydrophobicContact CB-CG1 3.95Å; K976-I987 HydrophobicContact CD-CD1 4.05Å; L977-I987 HydrophobicContact CD1-CB 4.25Å; L977-I987 HydrophobicContact CD1-CG1 3.91Å; L977-I987 HydrophobicContact CG-CG1 3.97Å; I987-S990 PolarHBondContact O-N 3.09Å; I987-S990 VanDerWaalsContact O-N 3.16Å; I987-S990 PolarHBondContact O-OG 3.04Å; I987-A991 PolarHBondContact O-N 2.61Å
988	D	86.7	Confident	84.6	Confident	115 Å²	115	56.3 Å²	56.3	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-65.5	-47.3	-173.6	-50.8	-45.1	0	0	0	112	S990 A991	D988-S990 PolarHBondContact O-N 3.31Å; D988-A991 PolarHBondContact O-N 3.1Å
989	C	84.4	Confident	84.5	Confident	32 Å²	32	56.7 Å²	56.7	22%	0.216	34%	0.343	C	S	.	.	H	α-helix	trans	-65.8	-25.3	177.4	-65.5	0	0	0	0	112.7	I969 C970 C986 L993	I969-C989 HydrophobicContact CB-CB 4.04Å; I969-C989 HydrophobicContact CD1-CB 3.93Å; I969-C989 HydrophobicContact CG2-CB 4.05Å; C970-C989 VanDerWaalsContact CB-SG 3.58Å; C986-C989 VanDerWaalsContact SG-CB 3.54Å; C986-C989 PolarHBondContact SG-N 3.08Å; C986-C989 VanDerWaalsContact SG-N 3.41Å; C986-C989 PolarHBondContact SG-SG 3.14Å; C989-L993 WeakPolarHBondContact O-CD1 3.34Å; C989-L993 VanDerWaalsContact O-CG 3.27Å; C989-L993 WeakPolarHBondContact O-CG 3.36Å
990	S	83	Confident	84.4	Confident	5 Å²	5	66.9 Å²	66.9	4%	0.035	38%	0.381	C	S	.	.	H	α-helix	trans	-77.4	-22.5	-179	83.3	0	0	0	0	114.3	L977 S985 C986 I987 D988 A992 L993 R1006	L977-S990 WeakPolarHBondContact CD1-OG 3.47Å; S985-S990 WeakPolarHBondContact OG-CB 3.46Å; C986-S990 WeakPolarHBondContact O-CB 3.36Å; C986-S990 PolarHBondContact O-N 3.3Å; I987-S990 PolarHBondContact O-N 3.09Å; I987-S990 VanDerWaalsContact O-N 3.16Å; I987-S990 PolarHBondContact O-OG 3.04Å; D988-S990 PolarHBondContact O-N 3.31Å; S990-A992 VanDerWaalsContact C-N 3.31Å; S990-A992 PolarHBondContact O-N 3.45Å; S990-L993 PolarHBondContact O-N 3.23Å; S990-R1006 PolarHBondContact O-NE 3.48Å
991	A	82.3	Confident	84.4	Confident	82 Å²	82	66.6 Å²	66.6	68%	0.678	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.9	-166.2	0	0	0	0	0	112.6	I987 D988	I987-A991 PolarHBondContact O-N 2.61Å; D988-A991 PolarHBondContact O-N 3.1Å
992	A	77.8	Confident	84.6	Confident	92 Å²	92	69.7 Å²	69.7	76%	0.76	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-7	-179	0	0	0	0	0	114.4	S990	S990-A992 VanDerWaalsContact C-N 3.31Å; S990-A992 PolarHBondContact O-N 3.45Å
993	L	84.4	Confident	84.8	Confident	41 Å²	41	67.6 Å²	67.6	22%	0.215	37%	0.372	C	S	.	.			trans	-85.1	122.4	-172.5	-65.8	172.4	0	0	0	111.7	I969 F979 C989 S990 P997 I1003 R1006	I969-L993 HydrophobicContact CD1-CD1 3.57Å; F979-L993 HydrophobicContact CZ-CD1 4.44Å; C989-L993 WeakPolarHBondContact O-CD1 3.34Å; C989-L993 VanDerWaalsContact O-CG 3.27Å; C989-L993 WeakPolarHBondContact O-CG 3.36Å; S990-L993 PolarHBondContact O-N 3.23Å; L993-P997 HydrophobicContact CD1-CG 4.21Å; L993-I1003 HydrophobicContact CB-CD1 3.81Å; L993-R1006 PolarHBondContact O-NH2 3.27Å
994	K	83.7	Confident	84.4	Confident	172 Å²	172	75 Å²	75	75%	0.748	40%	0.398	S	S	*	.	S	Bend	trans	-94.8	-20.6	170.8	-65.1	-177.6	-179.8	178.6	0	112.8	I1003	K994-I1003 PolarHBondContact O-N 3.23Å
995	T	86.1	Confident	84.1	Confident	73 Å²	73	79.4 Å²	79.4	45%	0.448	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-129.9	144.6	179.1	44.2	0	0	0	0	109.6	Q1001	T995-Q1001 CarbonylContact C-O 3.57Å; T995-Q1001 WeakPolarHBondContact CA-O 3.48Å
996	C	84.6	Confident	84	Confident	1 Å²	1	84.3 Å²	84.3	1%	0.007	43%	0.434	C	S	.	.			trans	-67.3	125.4	178	175.7	0	0	0	0	109.1	F979 C981 I998 R1000 Q1001 I1003	F979-C996 HydrophobicContact CD2-CB 4.34Å; C981-C996 VanDerWaalsContact SG-SG 3.68Å; C996-I998 PolarHBondContact O-N 3.29Å; C996-R1000 WeakPolarHBondContact O-CA 3.35Å; C996-R1000 PolarHBondContact O-N 3.43Å; C996-Q1001 PolarHBondContact N-O 3.02Å; C996-I1003 HydrophobicContact CB-CG1 4.25Å
997	P	79.9	Confident	83.7	Confident	69 Å²	69	88.4 Å²	88.4	45%	0.448	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.9	-176.9	24.3	-31.4	0	0	0	113.1	I969 L993	I969-P997 HydrophobicContact CD1-CG 3.74Å; I969-P997 HydrophobicContact CG1-CG 4.16Å; L993-P997 HydrophobicContact CD1-CG 4.21Å
998	I	83.1	Confident	83.6	Confident	92 Å²	92	90 Å²	90	47%	0.472	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-54.8	-178.2	-57.1	174.2	0	0	0	111	P968 H983 C996	P968-I998 HydrophobicContact CB-CD1 4.44Å; P968-I998 HydrophobicContact CG-CD1 3.99Å; H983-I998 HydrophobicContact CB-CD1 4.14Å; H983-I998 VanDerWaalsContact CD2-CG2 3.45Å; H983-I998 WeakPolarHBondContact CD2-CG2 3.5Å; H983-I998 WeakPolarHBondContact NE2-CG2 3.33Å; C996-I998 PolarHBondContact O-N 3.29Å
999	C	85	Confident	83.1	Confident	44 Å²	44	88 Å²	88	30%	0.297	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-0.2	-176.2	66.1	0	0	0	0	114.8	C981 H983 Q1001	C981-C999 PolarHBondContact SG-SG 2.94Å; H983-C999 PolarHBondContact ND1-SG 3.32Å; C999-Q1001 PolarHBondContact O-N 3.36Å
1000	R	86	Confident	81.8	Confident	217 Å²	217	95.7 Å²	95.7	82%	0.819	48%	0.479	S	S	*	.			trans	59.6	9.7	179.3	-56.2	-174.4	179.1	-169.2	-0.2	116	C996	C996-R1000 WeakPolarHBondContact O-CA 3.35Å; C996-R1000 PolarHBondContact O-N 3.43Å
1001	Q	85.1	Confident	80.2	Confident	117 Å²	117	104.8 Å²	104.8	55%	0.547	53%	0.534	S	S	.	.			trans	-75.4	146.9	173.8	-64.8	-176.7	0.3	0	0	111.7	T995 C996 C999 I1003	T995-Q1001 CarbonylContact C-O 3.57Å; T995-Q1001 WeakPolarHBondContact CA-O 3.48Å; C996-Q1001 PolarHBondContact N-O 3.02Å; C999-Q1001 PolarHBondContact O-N 3.36Å; Q1001-I1003 PolarHBondContact O-N 3.03Å
1002	T	86.2	Confident	80.1	Confident	101 Å²	101	105.9 Å²	105.9	62%	0.62	53%	0.527	S	S	*	.	B	Isolated β-bridge	trans	-62.8	130.4	175.5	-46.3	0	0	0	0	111	R1004	T1002-R1004 PolarHBondContact O-N 3.29Å
1003	I	83.6	Confident	80.2	Confident	17 Å²	17	106.6 Å²	106.6	9%	0.087	51%	0.514	C	S	.	.			trans	-78.6	104.9	-179.6	-61	167.1	0	0	0	108.3	F979 L993 K994 C996 Q1001 R1006	F979-I1003 HydrophobicContact CD1-CD1 4.04Å; F979-I1003 HydrophobicContact CD1-CG1 4.22Å; F979-I1003 HydrophobicContact CD1-CG2 3.7Å; F979-I1003 HydrophobicContact CD2-CD1 4.33Å; F979-I1003 HydrophobicContact CD2-CG1 4.5Å; F979-I1003 HydrophobicContact CE1-CD1 3.84Å; F979-I1003 HydrophobicContact CE1-CG2 4.25Å; F979-I1003 HydrophobicContact CE2-CD1 4.14Å; F979-I1003 HydrophobicContact CG-CD1 4.29Å; F979-I1003 HydrophobicContact CG-CG1 4.21Å; F979-I1003 HydrophobicContact CG-CG2 4.27Å; F979-I1003 HydrophobicContact CZ-CD1 3.89Å; L993-I1003 HydrophobicContact CB-CD1 3.81Å; K994-I1003 PolarHBondContact O-N 3.23Å; C996-I1003 HydrophobicContact CB-CG1 4.25Å; Q1001-I1003 PolarHBondContact O-N 3.03Å; I1003-R1006 HydrophobicContact CG2-CG 3.85Å
1004	R	79.6	Confident	80	Confident	215 Å²	215	110.3 Å²	110.3	81%	0.811	53%	0.531	S	S	*	.			trans	-86.4	-34.9	-179.7	-65.1	-176.8	179.7	-171.3	-0.4	113	T1002	T1002-R1004 PolarHBondContact O-N 3.29Å
1005	E	79.4	Confident	79.8	Confident	111 Å²	111	106.6 Å²	106.6	52%	0.519	52%	0.518	S	S	.	.			trans	-145.9	141.6	-176.6	-160	170.1	-160.7	0	0	110	Q980	Q980-E1005 PolarHBondContact N-O 3.42Å
1006	R	87.5	Confident	79.4	Confident	103 Å²	103	108.8 Å²	108.8	39%	0.389	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.5	176.5	-66.4	178	-170.6	69.4	1.2	107.7	L977 F979 S990 L993 I1003	L977-R1006 HydrophobicContact CD2-CB 4.45Å; F979-R1006 HydrophobicContact CD1-CG 4.09Å; F979-R1006 HydrophobicContact CE1-CG 4.19Å; S990-R1006 PolarHBondContact O-NE 3.48Å; L993-R1006 PolarHBondContact O-NH2 3.27Å; I1003-R1006 HydrophobicContact CG2-CG 3.85Å
1007	I	83.7	Confident	79	Confident	88 Å²	88	115.9 Å²	115.9	45%	0.451	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.4	120.5	-178.1	-57.1	171.4	0	0	0	107.4	L977 V978	L977-I1007 CarbonylContact C-O 3.5Å; L977-I1007 WeakPolarHBondContact CA-O 3.35Å; V978-I1007 PolarHBondContact N-O 2.85Å; V978-I1007 PolarHBondContact O-N 2.82Å
1008	Q	82.9	Confident	79	Confident	103 Å²	103	119.3 Å²	119.3	48%	0.481	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.7	125.4	176.9	-168	170.2	-2.7	0	0	110.5	L977 F1010	L977-Q1008 HydrophobicContact CD2-CB 3.78Å; L977-Q1008 HydrophobicContact CD2-CG 4.11Å; Q1008-F1010 PolarHBondContact O-N 2.79Å
1009	L	76.9	Confident	78.7	Confident	73 Å²	73	121.4 Å²	121.4	38%	0.382	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-77.5	117.5	171.9	-64.1	178	0	0	0	107.8	I975 K976 V978 V1011	I975-L1009 HydrophobicContact CG2-CD1 4.09Å; K976-L1009 PolarHBondContact O-N 3.28Å; V978-L1009 HydrophobicContact CG2-CD1 3.58Å; V978-L1009 HydrophobicContact CG2-CD2 3.75Å; V978-L1009 HydrophobicContact CG2-CG 3.7Å; L1009-V1011 PolarHBondContact O-N 3.05Å
1010	F	58.1	Low	78.1	Confident	194 Å²	194	127.8 Å²	127.8	85%	0.851	60%	0.595	S	S	*	*			trans	-80.8	109.5	167.4	-72.4	-86.8	0	0	0	107.8	Q1008	Q1008-F1010 PolarHBondContact O-N 2.79Å
1011	V	48.6	Very low	77.4	Confident	195 Å²	195	119.7 Å²	119.7	100%	1.182	58%	0.575	S	S	*	*			trans	-113	0	169.6	-173.9	0	0	0	0	108.2	L1009	L1009-V1011 PolarHBondContact O-N 3.05Å

Retrieved 1,011 of 1,011 residues in 344.4 ms (Link to these results)

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