A0A087XQ53_POEFO Loading...

Lysosomal alpha-glucosidase

Essential for the degradation of glycogen in lysosomes. Has highest activity on alpha-1,4-linked glycosidic linkages, but can also hydrolyze alpha-1,6-linked glucans.

AlphaFold DB , UniProt , Accession A0A087XQ53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 932 aa.

						>A0A087XQ53_POEFO|A0A087XQ53
MGILSTTVLLLSLFLLACLHRDLLFSKAGRLVRSGHFDHYEVMLRKKPGYSYPREPKSISKSDIHPDNLQRCGNSRETECTSTPESRFDCGRDRLLSQEECEDRGCCYAPLPGSAGPPWCFYPALYPGYNMGPLTPSEKGQTATLTRSSPSYLPKDISTLRLEVIAETASCFHVVLKDPSSQRYEVPLPAGSFQTEAYTQDVLYTIEFQHDPFGFIVRRKSNGRVLMNTTVAPLLFADQYLQLSTSLASSLVSGLGEHYTSLVLDLNWTSWTLWNRDMAPHADVNLYGSHPFYIVQEEDGLAHGVFLLNSNAIEVILQPTPALTWVSTGGILDLYIFLGPDPQSVIRQYLQVIGYPMMPPYWSLGFHLCRWGYTTTNATRMVAQRMHSANFPMDVQWNDLDYADKRRVFTFDPVRFGDLPDMVQEFHKKGMKYIIILDPGISSTSPPGTYPPFENGVKRDVFIKNATGDILIGKVWPGPTAFPDFTNPDARQWWEDCIRDFFSKVPVDGLWIDMNEPSSFVQGSVVGCPDSELEKPPYTPRVVGGQLNSGTICMSAQQQLSSHYNLHNLYGLTEAYATHSALMNIQGKRPFVLSRSSFPGIGRFSGVWTGDVRSDWEQLRFSIPAVLQFSLFGVPLVGADICGFEGNTNEELCVRWMQLGAFYPFMRNHNDKPNAPQEPFVFGQKAQAAMRSALNLRYSLLPFLYTLFHRAHTSADTVARPLFMEFPADPHCRTIDQQFLWGSSLLISPVLEQGAVELSAYLPAGTWYQLENGQPFHSNGQYVQLSAPLETINVHVREGHIIPQQEPALTTAASRENHFFLTVALSSGGWARGELFWDDGDSLRTFETQNYCYVNFTAGQSQIISDPLNLNGALASLLLGGLQVFGVPSQPLHVLANGEKVIDFTYKTDTKVLTVTRLALPMSKTFTVQWVL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	41.8	Very low	254 Å²	254	124.8 Å²	124.8	100%	1.251	72%	0.716	S	S	*	*				0	113.1	0	-65.8	169.1	173.9	0	0	107.4
2	G	29.6	Very low	42.1	Very low	71 Å²	71	118.9 Å²	118.9	73%	0.732	69%	0.688	S	S	*	*			cis	132.7	98.1	-3.8	0	0	0	0	0	112.7
3	I	31.6	Very low	42.4	Very low	161 Å²	161	118.3 Å²	118.3	83%	0.826	68%	0.68	S	S	*	*			trans	68.7	79.2	153.4	-43.9	171.4	0	0	0	116.2
4	L	34	Very low	42.6	Very low	170 Å²	170	120.6 Å²	120.6	89%	0.89	68%	0.678	S	S	*	*			trans	-156.3	65	152.5	-134.4	130.8	0	0	0	110.8
5	S	51.9	Low	42.6	Very low	93 Å²	93	119.8 Å²	119.8	65%	0.65	67%	0.671	S	S	*	*	S	Bend	trans	-152.8	-7.8	-178.5	-168.5	0	0	0	0	117
6	T	40.9	Very low	42.5	Very low	96 Å²	96	119.8 Å²	119.8	59%	0.589	67%	0.669	S	S	*	*	S	Bend	trans	-94	-38.1	-178.3	32.5	0	0	0	0	113.4	L9 L10	T6-L9 PolarHBondContact O-N 3.17Å; T6-L10 WeakPolarHBondContact O-CB 3.35Å; T6-L10 PolarHBondContact O-N 3.3Å; T6-L10 VanDerWaalsContact O-N 3.08Å
7	T	43.3	Very low	42.2	Very low	98 Å²	98	116.3 Å²	116.3	60%	0.601	66%	0.658	S	S	*	*	H	α-helix	trans	-67.2	-40.7	-175.3	-31.2	0	0	0	0	113	L10 L11	T7-L10 PolarHBondContact O-N 2.85Å; T7-L11 HydrophobicContact CG2-CD1 4.2Å; T7-L11 WeakPolarHBondContact O-CD1 3.4Å; T7-L11 PolarHBondContact O-N 3.31Å
8	V	51.4	Low	41.9	Very low	109 Å²	109	113.8 Å²	113.8	66%	0.661	65%	0.649	S	S	*	*	H	α-helix	trans	-67.4	-40.8	179.9	-178.9	0	0	0	0	111.1	L11 S12	V8-L11 PolarHBondContact O-N 3.26Å; V8-S12 PolarHBondContact O-N 2.77Å; V8-S12 PolarHBondContact O-OG 3.11Å
9	L	47.2	Very low	41.7	Very low	110 Å²	110	113.9 Å²	113.9	58%	0.576	65%	0.647	S	S	*	*	H	α-helix	trans	-65.9	-38.4	176.8	-137	81	0	0	0	111.9	T6 S12 L13	T6-L9 PolarHBondContact O-N 3.17Å; L9-S12 WeakPolarHBondContact CA-OG 3.2Å; L9-S12 PolarHBondContact O-N 2.04Å; L9-S12 PolarHBondContact O-OG 3.27Å; L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 PolarHBondContact O-N 3.45Å
10	L	44.2	Very low	41.4	Very low	106 Å²	106	114.8 Å²	114.8	56%	0.555	64%	0.644	S	S	*	*	H	α-helix	trans	-65.7	-39.6	175.1	-89.4	158.1	0	0	0	112.5	T6 T7 F14	T6-L10 WeakPolarHBondContact O-CB 3.35Å; T6-L10 PolarHBondContact O-N 3.3Å; T6-L10 VanDerWaalsContact O-N 3.08Å; T7-L10 PolarHBondContact O-N 2.85Å; L10-F14 PolarHBondContact O-N 2.81Å
11	L	47	Very low	40.9	Very low	105 Å²	105	117.3 Å²	117.3	55%	0.55	64%	0.644	S	S	.	*	H	α-helix	trans	-65.5	-42.3	173.2	-96.9	103.8	0	0	0	112.4	T7 V8 L13 F14 L15	T7-L11 HydrophobicContact CG2-CD1 4.2Å; T7-L11 WeakPolarHBondContact O-CD1 3.4Å; T7-L11 PolarHBondContact O-N 3.31Å; V8-L11 PolarHBondContact O-N 3.26Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.21Å; L11-F14 PolarHBondContact O-N 2.95Å; L11-L15 PolarHBondContact O-N 3.2Å
12	S	45.5	Very low	40.7	Very low	54 Å²	54	111 Å²	111	38%	0.378	62%	0.615	S	S	.	*	H	α-helix	trans	-65.6	-36.1	177.8	58.4	0	0	0	0	112.6	V8 L9 L16	V8-S12 PolarHBondContact O-N 2.77Å; V8-S12 PolarHBondContact O-OG 3.11Å; L9-S12 WeakPolarHBondContact CA-OG 3.2Å; L9-S12 PolarHBondContact O-N 2.04Å; L9-S12 PolarHBondContact O-OG 3.27Å; S12-L16 PolarHBondContact O-N 2.72Å; S12-L16 VanDerWaalsContact O-N 3.07Å
13	L	45.4	Very low	40.8	Very low	111 Å²	111	113.5 Å²	113.5	58%	0.581	61%	0.611	S	S	*	*	H	α-helix	trans	-69.7	-35.9	173.7	-89.3	152.2	0	0	0	112.6	L9 L11 A17	L9-L13 WeakPolarHBondContact O-CB 3.4Å; L9-L13 PolarHBondContact O-N 3.45Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.21Å; L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.03Å; L13-A17 PolarHBondContact O-N 2.97Å
14	F	45.9	Very low	40.6	Very low	150 Å²	150	111.4 Å²	111.4	66%	0.658	60%	0.601	S	S	*	*	H	α-helix	trans	-66.7	-41.1	172.9	-108.3	-88.5	0	0	0	112.5	L10 L11 A17 C18	L10-F14 PolarHBondContact O-N 2.81Å; L11-F14 PolarHBondContact O-N 2.95Å; F14-A17 PolarHBondContact O-N 3.2Å; F14-C18 PolarHBondContact O-N 2.99Å; F14-C18 PolarHBondContact O-SG 2.72Å; F14-C18 VanDerWaalsContact O-SG 3.41Å
15	L	42.3	Very low	40.4	Very low	109 Å²	109	110.9 Å²	110.9	57%	0.571	59%	0.592	S	S	*	*	H	α-helix	trans	-64.2	-43.7	176.4	-82.8	157.9	0	0	0	112.1	L11 C18 L19	L11-L15 PolarHBondContact O-N 3.2Å; L15-C18 PolarHBondContact O-N 2.73Å; L15-L19 PolarHBondContact O-N 2.69Å; L15-L19 VanDerWaalsContact O-N 3.11Å
16	L	41.1	Very low	39.5	Very low	120 Å²	120	111.6 Å²	111.6	63%	0.628	60%	0.597	S	S	*	*	H	α-helix	trans	-63.7	-39.4	172	-100.9	79.8	0	0	0	112.3	S12 C18 L19 H20	S12-L16 PolarHBondContact O-N 2.72Å; S12-L16 VanDerWaalsContact O-N 3.07Å; L16-C18 PolarHBondContact O-N 3.24Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-H20 WeakPolarHBondContact O-CB 3.44Å; L16-H20 PolarHBondContact O-N 3.3Å
17	A	37.7	Very low	39	Very low	60 Å²	60	116 Å²	116	50%	0.496	61%	0.608	S	S	.	*	H	α-helix	trans	-65.6	-35.9	178.8	0	0	0	0	0	112.7	L13 F14 R21	L13-A17 VanDerWaalsContact O-CB 3.26Å; L13-A17 WeakPolarHBondContact O-CB 3.03Å; L13-A17 PolarHBondContact O-N 2.97Å; F14-A17 PolarHBondContact O-N 3.2Å; A17-R21 WeakPolarHBondContact O-CB 3.35Å; A17-R21 PolarHBondContact O-N 3.03Å
18	C	37.3	Very low	38.4	Very low	72 Å²	72	115.7 Å²	115.7	49%	0.486	62%	0.615	S	S	.	*	H	α-helix	trans	-66	-50.3	172.1	-70.5	0	0	0	0	111.5	F14 L15 L16 H20 R21 D22	F14-C18 PolarHBondContact O-N 2.99Å; F14-C18 PolarHBondContact O-SG 2.72Å; F14-C18 VanDerWaalsContact O-SG 3.41Å; L15-C18 PolarHBondContact O-N 2.73Å; L16-C18 PolarHBondContact O-N 3.24Å; C18-H20 VanDerWaalsContact C-N 3.25Å; C18-H20 PolarHBondContact O-N 2.86Å; C18-R21 WeakPolarHBondContact O-CB 3.29Å; C18-R21 PolarHBondContact O-N 2.03Å; C18-D22 PolarHBondContact O-N 3.5Å
19	L	37.6	Very low	37.2	Very low	116 Å²	116	113.9 Å²	113.9	61%	0.607	62%	0.618	S	S	*	*	H	α-helix	trans	-57.8	-34.9	177.5	-80.2	160.6	0	0	0	113.1	L15 L16	L15-L19 PolarHBondContact O-N 2.69Å; L15-L19 VanDerWaalsContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 3.39Å
20	H	34.8	Very low	36.2	Very low	130 Å²	130	120.3 Å²	120.3	60%	0.602	64%	0.635	S	S	*	*	H	α-helix	trans	-78.3	-19.4	175.8	-128.5	49.8	0	0	0	113.8	L16 C18 L24	L16-H20 WeakPolarHBondContact O-CB 3.44Å; L16-H20 PolarHBondContact O-N 3.3Å; C18-H20 VanDerWaalsContact C-N 3.25Å; C18-H20 PolarHBondContact O-N 2.86Å; H20-L24 WeakPolarHBondContact O-CG 3.4Å; H20-L24 PolarHBondContact O-N 2.89Å
21	R	32	Very low	35.3	Very low	168 Å²	168	123.9 Å²	123.9	63%	0.634	65%	0.654	S	S	*	*	H	α-helix	trans	-79.1	-38	179	-156.3	172	-178	-163.2	-3.7	111.6	A17 C18 L23 L24 F25	A17-R21 WeakPolarHBondContact O-CB 3.35Å; A17-R21 PolarHBondContact O-N 3.03Å; C18-R21 WeakPolarHBondContact O-CB 3.29Å; C18-R21 PolarHBondContact O-N 2.03Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 2.87Å; R21-L24 PolarHBondContact O-N 3.25Å; R21-L24 VanDerWaalsContact O-N 3.14Å; R21-F25 HydrophobicContact CG-CD2 4.13Å; R21-F25 HydrophobicContact CG-CE2 4.16Å; R21-F25 PolarHBondContact O-N 2.75Å
22	D	34.2	Very low	34.3	Very low	121 Å²	121	125.2 Å²	125.2	65%	0.647	67%	0.666	S	S	*	*	H	α-helix	trans	-65	-37.5	174.3	-66.4	-33.3	0	0	0	111.9	C18 L24	C18-D22 PolarHBondContact O-N 3.5Å; D22-L24 VanDerWaalsContact C-N 3.26Å; D22-L24 PolarHBondContact O-N 2.84Å
23	L	31.8	Very low	33.3	Very low	124 Å²	124	134.3 Å²	134.3	65%	0.649	69%	0.692	S	S	*	*	H	α-helix	trans	-66	-21.5	172.9	-96	152.6	0	0	0	114.3	R21	R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 2.87Å
24	L	28	Very low	32.3	Very low	117 Å²	117	134.7 Å²	134.7	61%	0.613	70%	0.704	S	S	*	*	H	α-helix	trans	-95.5	-28.4	178.4	-77	170.4	0	0	0	113.4	H20 R21 D22 S26 K27	H20-L24 WeakPolarHBondContact O-CG 3.4Å; H20-L24 PolarHBondContact O-N 2.89Å; R21-L24 PolarHBondContact O-N 3.25Å; R21-L24 VanDerWaalsContact O-N 3.14Å; D22-L24 VanDerWaalsContact C-N 3.26Å; D22-L24 PolarHBondContact O-N 2.84Å; L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.49Å; L24-K27 PolarHBondContact O-N 3.5Å
25	F	29.5	Very low	31.2	Very low	160 Å²	160	131 Å²	131	70%	0.702	71%	0.708	S	S	*	*	H	α-helix	trans	-72.2	-16.8	174.6	-93.1	-83.9	0	0	0	114	R21 K27	R21-F25 HydrophobicContact CG-CD2 4.13Å; R21-F25 HydrophobicContact CG-CE2 4.16Å; R21-F25 PolarHBondContact O-N 2.75Å; F25-K27 VanDerWaalsContact C-N 3.29Å; F25-K27 PolarHBondContact O-N 3.15Å
26	S	32.4	Very low	30.4	Very low	107 Å²	107	134 Å²	134	75%	0.748	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-13.2	171.1	-179.1	0	0	0	0	114.4	L24	L24-S26 VanDerWaalsContact C-N 3.26Å; L24-S26 PolarHBondContact O-N 3.49Å
27	K	30.2	Very low	29.6	Very low	189 Å²	189	137.8 Å²	137.8	82%	0.822	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	8	-167.8	-100.9	-177.7	-179.3	177.2	0	117.6	L24 F25	L24-K27 PolarHBondContact O-N 3.5Å; F25-K27 VanDerWaalsContact C-N 3.29Å; F25-K27 PolarHBondContact O-N 3.15Å
28	A	31.5	Very low	29.1	Very low	92 Å²	92	140.9 Å²	140.9	76%	0.76	74%	0.739	S	S	*	*			trans	-129	79	-179.3	0	0	0	0	0	112.5
29	G	26.3	Very low	28.5	Very low	70 Å²	70	145.7 Å²	145.7	72%	0.722	75%	0.754	S	S	*	*			trans	-170.6	45.3	-173	0	0	0	0	0	119.2
30	R	25.9	Very low	27.9	Very low	246 Å²	246	150.8 Å²	150.8	93%	0.928	77%	0.766	S	S	*	*			trans	170	100.6	142.5	-95	162.5	-168.1	-156.3	4.2	111.9
31	L	25.2	Very low	27.4	Very low	181 Å²	181	152.2 Å²	152.2	95%	0.948	77%	0.774	S	S	*	*			trans	-121.4	91.1	162.9	-130.9	165.1	0	0	0	106.4
32	V	26.2	Very low	27.1	Very low	133 Å²	133	151 Å²	151	81%	0.806	78%	0.784	S	S	*	*			trans	-129.5	130	176.7	-178.9	0	0	0	0	109.1
33	R	24.1	Very low	26.5	Very low	244 Å²	244	151.8 Å²	151.8	92%	0.921	79%	0.786	S	S	*	*			trans	-63.1	133.2	-173.6	-64.5	162.2	169	170.7	-6.4	112.1
34	S	23.7	Very low	26.2	Very low	119 Å²	119	152.3 Å²	152.3	83%	0.832	79%	0.789	S	S	*	*			trans	-76.8	115.9	156.5	54.9	0	0	0	0	109.6
35	G	23.9	Very low	26.1	Very low	72 Å²	72	156.5 Å²	156.5	74%	0.742	80%	0.796	S	S	*	*			trans	-77.6	148.9	168.9	0	0	0	0	0	111.7
36	H	24.6	Very low	25.9	Very low	174 Å²	174	157.9 Å²	157.9	81%	0.806	80%	0.802	S	S	*	*			trans	-58.5	148.1	164.5	-74.7	0.2	0	0	0	111.2
37	F	24.3	Very low	25.5	Very low	199 Å²	199	162.3 Å²	162.3	87%	0.873	81%	0.808	S	S	*	*			trans	-153	103	134.7	-102.3	-65.7	0	0	0	111.7
38	D	27.4	Very low	26	Very low	125 Å²	125	158.9 Å²	158.9	67%	0.668	81%	0.805	S	S	*	*			trans	33.3	135.5	145.1	-57.7	-30.2	0	0	0	124.6
39	H	25	Very low	25.8	Very low	173 Å²	173	157.8 Å²	157.8	80%	0.801	80%	0.802	S	S	*	*			trans	-53.2	149.3	159.6	-70.8	-87.1	0	0	0	114.2
40	Y	25.2	Very low	25.7	Very low	222 Å²	222	164.5 Å²	164.5	87%	0.871	81%	0.808	S	S	*	*			trans	-131.1	107.1	142.6	-94.5	-85.8	0	0	0	110.7
41	E	24.6	Very low	25.7	Very low	161 Å²	161	157.3 Å²	157.3	75%	0.752	80%	0.795	S	S	*	*			trans	-78.2	138.2	155.6	-80.8	-168.5	125.4	0	0	109.3
42	V	24.4	Very low	25.7	Very low	142 Å²	142	159.4 Å²	159.4	86%	0.861	79%	0.792	S	S	*	*			trans	-131.7	130.3	149	178.8	0	0	0	0	108.2
43	M	23	Very low	26.7	Very low	138 Å²	138	158 Å²	158	68%	0.68	79%	0.785	S	S	*	*			trans	-121.6	167	-168	-135	-113.5	-134.5	0	0	110.1
44	L	26	Very low	26.8	Very low	135 Å²	135	158.2 Å²	158.2	71%	0.707	79%	0.786	S	S	*	*			trans	76	139.7	166	-59.4	165.8	0	0	0	115.9
45	R	24.8	Very low	27.1	Very low	205 Å²	205	161.1 Å²	161.1	77%	0.774	79%	0.786	S	S	*	*			cis	-155.1	169.4	18.6	-102.9	138.8	-177.9	-153.3	1.8	107.9
46	K	24.9	Very low	28	Very low	189 Å²	189	161.7 Å²	161.7	82%	0.822	78%	0.777	S	S	*	*			cis	-162.9	151.3	24.6	-136.5	163	-172.2	-175.7	0	112.3
47	K	25.2	Very low	28.1	Very low	199 Å²	199	162.9 Å²	162.9	87%	0.865	78%	0.78	S	S	*	*			trans	-76.1	-178.8	165.3	-96.7	178.8	-179.7	178.2	0	111.9
48	P	41.1	Very low	28.2	Very low	117 Å²	117	158 Å²	158	76%	0.76	77%	0.771	S	S	*	*			cis	-132.9	-174	20.1	38.4	-17.3	0	0	0	114.8
49	G	25.9	Very low	28.1	Very low	69 Å²	69	159.3 Å²	159.3	71%	0.711	78%	0.776	S	S	*	*			cis	-162.1	-155.7	2.7	0	0	0	0	0	109.1
50	Y	25.2	Very low	28.2	Very low	212 Å²	212	155.6 Å²	155.6	83%	0.831	77%	0.77	S	S	*	*			cis	-155.3	129.8	-2.5	-111	-83.8	0	0	0	111.6
51	S	25.2	Very low	28.3	Very low	94 Å²	94	154.1 Å²	154.1	66%	0.657	77%	0.768	S	S	*	*			trans	39.1	109.6	144.9	62.5	0	0	0	0	125.1
52	Y	25.1	Very low	28.4	Very low	226 Å²	226	151.2 Å²	151.2	89%	0.886	77%	0.765	S	S	*	*				3.5	171.1	113.3	-73.1	-74.4	0	0	0	121.7
53	P	48	Very low	28.6	Very low	103 Å²	103	151.7 Å²	151.7	67%	0.669	76%	0.763	S	S	*	*			cis	-137.6	-179.4	-11.7	29.8	-7.8	0	0	0	115.3
54	R	26	Very low	28.8	Very low	248 Å²	248	153.5 Å²	153.5	94%	0.936	77%	0.773	S	S	*	*				-179.7	147.1	120.7	-98.1	169.4	-170.7	-168.5	3.5	115
55	E	29.1	Very low	28.8	Very low	180 Å²	180	155.7 Å²	155.7	84%	0.841	78%	0.78	S	S	*	*			trans	-142.5	179.2	172.9	-131	-168.9	-138.8	0	0	105.4
56	P	43.9	Very low	29.9	Very low	85 Å²	85	150.5 Å²	150.5	55%	0.552	77%	0.773	S	S	*	*			cis	-143.2	-167.9	-9.8	38.4	-16.5	0	0	0	116
57	K	26.7	Very low	30.1	Very low	199 Å²	199	148.6 Å²	148.6	87%	0.865	77%	0.771	S	S	*	*			trans	76.2	141.9	157.9	-62.1	171.8	-176.2	-179.1	0	117.7
58	S	25.9	Very low	30.1	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	77%	0.772	S	S	*	*			cis	-171.8	150.2	33.7	61.7	0	0	0	0	116.8
59	I	26.1	Very low	29.5	Very low	151 Å²	151	149.5 Å²	149.5	77%	0.774	78%	0.778	S	S	*	*			trans	76.9	108	137.9	-64.1	161.1	0	0	0	123.5
60	S	26	Very low	29.6	Very low	96 Å²	96	154.3 Å²	154.3	67%	0.671	78%	0.783	S	S	*	*			trans	37.1	144.4	134.8	90.3	0	0	0	0	123.4
61	K	27	Very low	29.8	Very low	190 Å²	190	156.3 Å²	156.3	83%	0.826	79%	0.788	S	S	*	*				178.5	162.5	55.5	-135.8	176	-167.6	-174.2	0	112.8
62	S	27.3	Very low	30	Very low	100 Å²	100	156.7 Å²	156.7	70%	0.699	79%	0.79	S	S	*	*			trans	62.3	111.1	155.1	56.8	0	0	0	0	123.6
63	D	27.8	Very low	30.4	Very low	152 Å²	152	149.3 Å²	149.3	81%	0.813	78%	0.782	S	S	*	*				27.6	129.8	129.7	-47.2	-43	0	0	0	123
64	I	26.8	Very low	29.7	Very low	176 Å²	176	150.8 Å²	150.8	90%	0.903	79%	0.785	S	S	*	*				-179.7	139.8	120.4	-88.1	153.2	0	0	0	110.1
65	H	26.2	Very low	30.7	Very low	181 Å²	181	142.7 Å²	142.7	84%	0.838	77%	0.766	S	S	*	*			trans	-93.8	173.5	177.5	-100.6	-53.2	0	0	0	112.1
66	P	47.8	Very low	31.6	Very low	97 Å²	97	142 Å²	142	63%	0.63	76%	0.756	S	S	*	*			cis	-134.3	-161.6	-13.9	35.5	-13.6	0	0	0	114
67	D	28.9	Very low	31.8	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	77%	0.765	S	S	*	*			trans	103.6	142.5	155.3	-68.1	-15.4	0	0	0	121.9
68	N	26.6	Very low	33.3	Very low	163 Å²	163	140.9 Å²	140.9	87%	0.872	75%	0.753	S	S	*	*			trans	65.9	82.5	178	-71.2	-29.1	0	0	0	118.4
69	L	27.8	Very low	35.4	Very low	172 Å²	172	140.1 Å²	140.1	90%	0.901	74%	0.739	S	S	*	*			trans	-99	98	156.3	-114.9	160.1	0	0	0	110.5	R71	L69-R71 PolarHBondContact O-N 2.83Å
70	Q	28.2	Very low	38.1	Very low	171 Å²	171	135.4 Å²	135.4	80%	0.799	72%	0.719	S	S	*	*			trans	-53.7	117.4	165.2	-110.6	164.5	-43.6	0	0	110.1	C72	Q70-C72 PolarHBondContact O-N 3.24Å
71	R	28.7	Very low	40.8	Very low	253 Å²	253	136 Å²	136	96%	0.955	72%	0.719	S	S	*	*			trans	-78.2	103.3	164.9	-93.8	-175.3	168.8	-173.2	-3.8	109	L69	L69-R71 PolarHBondContact O-N 2.83Å
72	C	30.1	Very low	43.6	Very low	103 Å²	103	128.5 Å²	128.5	70%	0.696	69%	0.69	S	S	*	*			trans	-110.7	131.4	168.5	-78.3	0	0	0	0	111.8	Q70 N74	Q70-C72 PolarHBondContact O-N 3.24Å; C72-N74 PolarHBondContact O-N 2.81Å; C72-N74 VanDerWaalsContact O-N 3.17Å
73	G	33.4	Very low	46.6	Very low	70 Å²	70	127.5 Å²	127.5	72%	0.722	68%	0.68	S	S	*	*	S	Bend	trans	92.7	-42.8	131.3	0	0	0	0	0	119.9
74	N	33.9	Very low	49.6	Very low	135 Å²	135	122.1 Å²	122.1	72%	0.722	65%	0.653	S	S	*	*			trans	-95.6	4.5	-153.4	-88.7	36.3	0	0	0	118.9	C72	C72-N74 PolarHBondContact O-N 2.81Å; C72-N74 VanDerWaalsContact O-N 3.17Å
75	S	45.5	Very low	52.7	Low	77 Å²	77	117.8 Å²	117.8	54%	0.538	63%	0.629	S	S	.	*	S	Bend	trans	-89.3	-36	-174.9	63.3	0	0	0	0	115.5	T78	S75-T78 PolarHBondContact O-N 2.71Å; S75-T78 PolarHBondContact O-OG1 2.69Å
76	R	49	Very low	56	Low	166 Å²	166	111.1 Å²	111.1	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-70.4	-34.7	-175.6	-86	-173.8	170.6	-170.1	-5.1	113.8	T78 E79	R76-T78 PolarHBondContact O-N 3.46Å; R76-E79 PolarHBondContact O-N 2.82Å; R76-E79 VanDerWaalsContact O-N 3.11Å
77	E	49	Very low	58.2	Low	159 Å²	159	107.4 Å²	107.4	74%	0.743	58%	0.576	S	S	*	*	H	α-helix	trans	-62.6	-30	178.7	-72.1	-171.5	153.9	0	0	112.7	T81	E77-T81 WeakPolarHBondContact O-CG2 3.37Å
78	T	56.8	Low	61.4	Low	101 Å²	101	101.1 Å²	101.1	62%	0.62	54%	0.542	S	S	*	.	H	α-helix	trans	-81.2	-14.9	175.9	40.6	0	0	0	0	114.7	S75 R76	S75-T78 PolarHBondContact O-N 2.71Å; S75-T78 PolarHBondContact O-OG1 2.69Å; R76-T78 PolarHBondContact O-N 3.46Å
79	E	70.4	Confident	64.7	Low	81 Å²	81	95 Å²	95	38%	0.379	51%	0.509	S	S	.	.	H	α-helix	trans	-89.9	-18.8	-178.1	-73.1	167.9	179.8	0	0	112.9	R76 P123	R76-E79 PolarHBondContact O-N 2.82Å; R76-E79 VanDerWaalsContact O-N 3.11Å; E79-P123 HydrophobicContact CB-CB 4.2Å
80	C	83.9	Confident	67.9	Low	52 Å²	52	86.8 Å²	86.8	35%	0.351	47%	0.466	S	S	.	.	S	Bend	trans	-101.8	18.9	-177.2	-65.2	0	0	0	0	114.7	S82 C107	C80-S82 VanDerWaalsContact C-N 3.28Å; C80-S82 PolarHBondContact O-N 3.41Å; C80-C107 WeakPolarHBondContact CA-SG 3.29Å; C80-C107 HydrophobicContact CB-CB 3.64Å; C80-C107 WeakPolarHBondContact CB-SG 3.36Å; C80-C107 WeakPolarHBondContact SG-CB 3.5Å; C80-C107 CovalentContact SG-SG 2.04Å; C80-C107 PolarHBondContact SG-SG 3.17Å
81	T	81.6	Confident	71.1	Confident	109 Å²	109	79.2 Å²	79.2	67%	0.669	43%	0.434	S	S	*	.			trans	-85.9	21.7	-174.4	63	0	0	0	0	114.9	E77 T83	E77-T81 WeakPolarHBondContact O-CG2 3.37Å; T81-T83 PolarHBondContact O-N 2.81Å
82	S	85.3	Confident	74	Confident	33 Å²	33	69.5 Å²	69.5	23%	0.231	40%	0.397	C	S	.	.			trans	-67.3	130.9	-178.1	-54.9	0	0	0	0	112.3	C80 R87	C80-S82 VanDerWaalsContact C-N 3.28Å; C80-S82 PolarHBondContact O-N 3.41Å; S82-R87 PolarHBondContact O-NE 3.31Å
83	T	90.6	Very high	76.9	Confident	79 Å²	79	66.3 Å²	66.3	49%	0.485	37%	0.373	S	S	.	.			trans	-58.4	144.8	170.6	54.3	0	0	0	0	110.1	T81 E85 S86	T81-T83 PolarHBondContact O-N 2.81Å; T83-E85 PolarHBondContact O-N 3.05Å; T83-E85 VanDerWaalsContact O-N 3.14Å; T83-S86 PolarHBondContact O-N 3.49Å; T83-S86 PolarHBondContact OG1-OG 3.05Å
84	P	91.4	Very high	79.6	Confident	39 Å²	39	68.5 Å²	68.5	25%	0.253	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-48.7	-44.4	-175.3	-29.9	36.7	0	0	0	114.1	S86 R87 L111 P117 W268	P84-S86 PolarHBondContact O-N 2.02Å; P84-R87 WeakPolarHBondContact O-CB 2.98Å; P84-R87 WeakPolarHBondContact O-CG 3.33Å; P84-R87 PolarHBondContact O-N 3.14Å; P84-L111 HydrophobicContact CB-CD1 4.02Å; P84-L111 HydrophobicContact CG-CD1 4.35Å; P84-L111 HydrophobicContact CG-CD2 4.49Å; P84-P117 HydrophobicContact CB-CB 4.05Å; P84-P117 HydrophobicContact CB-CG 3.78Å; P84-P117 WeakPolarHBondContact O-CB 3.41Å; P84-W268 WeakPolarHBondContact O-CH2 3.49Å; P84-W268 VanDerWaalsContact O-CZ2 3.29Å; P84-W268 WeakPolarHBondContact O-CZ2 3.19Å
85	E	92.3	Very high	82.3	Confident	85 Å²	85	70 Å²	70	40%	0.397	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-59.9	-32.5	-177.2	-58	69.9	-146.9	0	0	112.4	T83 W268 Q318 P319 T320	T83-E85 PolarHBondContact O-N 3.05Å; T83-E85 VanDerWaalsContact O-N 3.14Å; E85-W268 WeakPolarHBondContact O-CH2 3.34Å; E85-Q318 PolarHBondContact O-NE2 3.24Å; E85-P319 HydrophobicContact CB-CB 4.3Å; E85-P319 HydrophobicContact CG-CB 4.28Å; E85-T320 PolarHBondContact O-OG1 3.01Å
86	S	93.8	Very high	84.6	Confident	40 Å²	40	67.2 Å²	67.2	28%	0.28	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-100.6	15.1	-173.5	-55.3	0	0	0	0	113.6	T83 P84 F88 T320	T83-S86 PolarHBondContact O-N 3.49Å; T83-S86 PolarHBondContact OG1-OG 3.05Å; P84-S86 PolarHBondContact O-N 2.02Å; S86-F88 WeakPolarHBondContact O-CD2 3.42Å; S86-T320 WeakPolarHBondContact CA-OG1 3.36Å; S86-T320 PolarHBondContact N-OG1 3.01Å; S86-T320 WeakPolarHBondContact OG-CG2 3Å; S86-T320 PolarHBondContact OG-OG1 3.28Å
87	R	94.8	Very high	86.8	Confident	20 Å²	20	61.8 Å²	61.8	8%	0.075	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-83.2	119.6	175.2	-66	178.6	-178.1	-174.9	-1.1	110.3	S82 P84 A109 P118 F121 W268 Q318	S82-R87 PolarHBondContact O-NE 3.31Å; P84-R87 WeakPolarHBondContact O-CB 2.98Å; P84-R87 WeakPolarHBondContact O-CG 3.33Å; P84-R87 PolarHBondContact O-N 3.14Å; R87-A109 PolarHBondContact NH1-O 2.84Å; R87-P118 HydrophobicContact CB-CG 3.81Å; R87-P118 WeakPolarHBondContact CD-O 3.23Å; R87-P118 WeakPolarHBondContact O-CG 3.34Å; R87-F121 HydrophobicContact CB-CB 3.74Å; R87-F121 HydrophobicContact CB-CD1 4.41Å; R87-F121 HydrophobicContact CB-CD2 4.2Å; R87-F121 HydrophobicContact CB-CG 3.87Å; R87-F121 HydrophobicContact CG-CB 4.2Å; R87-F121 HydrophobicContact CG-CD1 4.01Å; R87-F121 HydrophobicContact CG-CD2 3.82Å; R87-F121 HydrophobicContact CG-CE1 4.37Å; R87-F121 HydrophobicContact CG-CE2 4.18Å; R87-F121 HydrophobicContact CG-CG 3.73Å; R87-F121 HydrophobicContact CG-CZ 4.43Å; R87-W268 WeakPolarHBondContact O-CH2 3.43Å; R87-Q318 PolarHBondContact O-NE2 3.23Å; R87-Q318 VanDerWaalsContact O-NE2 3.16Å
88	F	96.1	Very high	89	Confident	15 Å²	15	59 Å²	59	7%	0.066	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-94.6	130.2	172.1	-67.9	-91.5	0	0	0	109.6	S86 C90 F121 Y122 V231 A232 Q318 A322	S86-F88 WeakPolarHBondContact O-CD2 3.42Å; F88-C90 PolarHBondContact O-N 3Å; F88-F121 CarbonylContact O-C 3.47Å; F88-F121 WeakPolarHBondContact O-CA 3.4Å; F88-F121 VanDerWaalsContact O-CB 3.26Å; F88-F121 WeakPolarHBondContact O-CB 3.4Å; F88-Y122 HydrophobicContact CB-CD2 3.89Å; F88-Y122 VanDerWaalsContact O-CD2 3.3Å; F88-Y122 WeakPolarHBondContact O-CD2 3.07Å; F88-Y122 PolarHBondContact O-N 3.35Å; F88-V231 VanDerWaalsContact CD2-O 3.29Å; F88-V231 WeakPolarHBondContact CD2-O 3.33Å; F88-V231 HydrophobicContact CE1-CG2 3.98Å; F88-V231 HydrophobicContact CE2-CB 3.73Å; F88-V231 HydrophobicContact CE2-CG2 3.95Å; F88-V231 WeakPolarHBondContact CE2-O 3.33Å; F88-V231 HydrophobicContact CZ-CB 3.75Å; F88-V231 HydrophobicContact CZ-CG2 3.48Å; F88-V231 VanDerWaalsContact CZ-CG2 3.48Å; F88-A232 HydrophobicContact CB-CB 3.83Å; F88-A232 HydrophobicContact CD1-CB 3.88Å; F88-A232 HydrophobicContact CD2-CB 4.17Å; F88-A232 HydrophobicContact CG-CB 3.69Å; F88-Q318 VanDerWaalsContact CD1-OE1 3.26Å; F88-A322 HydrophobicContact CE1-CB 3.89Å; F88-A322 HydrophobicContact CZ-CB 3.62Å
89	D	95.6	Very high	90.9	Very high	34 Å²	34	61 Å²	61	18%	0.182	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-70.4	123.7	-167.6	-168.5	-7.2	0	0	0	113.4	G91 R92 P118 Y122	D89-G91 WeakPolarHBondContact OD1-CA 3.04Å; D89-G91 PolarHBondContact OD1-N 2.82Å; D89-R92 PolarHBondContact OD1-N 2.76Å; D89-R92 IonicContact OD2-CZ 3.6Å; D89-R92 IonicContact OD2-NH1 3.46Å; D89-R92 PolarHBondContact OD2-NH1 2.87Å; D89-R92 IonicContact OD2-NH2 2.85Å; D89-P118 HydrophobicContact CB-CB 3.85Å; D89-P118 HydrophobicContact CB-CG 4Å; D89-Y122 WeakPolarHBondContact O-CE2 3.02Å; D89-Y122 PolarHBondContact O-OH 2.93Å
90	C	96.3	Very high	92.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-98.8	-2	177.3	178.9	0	0	0	0	113.3	F88 R104 C106 C120 Y122	F88-C90 PolarHBondContact O-N 3Å; C90-R104 PolarHBondContact O-NH1 3.03Å; C90-C106 HydrophobicContact CB-CB 3.66Å; C90-C106 WeakPolarHBondContact CB-SG 3.42Å; C90-C106 WeakPolarHBondContact SG-CB 3.47Å; C90-C106 CovalentContact SG-SG 2.02Å; C90-C106 PolarHBondContact SG-SG 3.06Å; C90-C120 PolarHBondContact N-O 3.31Å; C90-Y122 HydrophobicContact CB-CD1 3.88Å; C90-Y122 HydrophobicContact CB-CD2 4.37Å; C90-Y122 HydrophobicContact CB-CE1 3.71Å; C90-Y122 HydrophobicContact CB-CE2 4.22Å; C90-Y122 HydrophobicContact CB-CG 4.21Å
91	G	93.7	Very high	92.8	Very high	12 Å²	12	57.6 Å²	57.6	12%	0.124	30%	0.302	C	S	.	.			trans	-114.8	27.6	173.5	0	0	0	0	0	113.3	D89 D93 R94	D89-G91 WeakPolarHBondContact OD1-CA 3.04Å; D89-G91 PolarHBondContact OD1-N 2.82Å; G91-D93 VanDerWaalsContact C-N 3.33Å; G91-D93 PolarHBondContact O-N 2.78Å; G91-R94 CarbonylContact C-O 3.59Å; G91-R94 CarbonylContact O-C 3.6Å; G91-R94 VanDerWaalsContact O-C 3.26Å; G91-R94 PolarHBondContact O-N 3.22Å
92	R	91.6	Very high	93.4	Very high	50 Å²	50	56.3 Å²	56.3	19%	0.189	29%	0.288	C	S	.	.	S	Bend	trans	-63.7	-36.1	-177.4	177.2	66	80.4	-118.2	-12	112.9	D89 V326 Y538	D89-R92 PolarHBondContact OD1-N 2.76Å; D89-R92 IonicContact OD2-CZ 3.6Å; D89-R92 IonicContact OD2-NH1 3.46Å; D89-R92 PolarHBondContact OD2-NH1 2.87Å; D89-R92 IonicContact OD2-NH2 2.85Å; R92-V326 HydrophobicContact CG-CG2 4.38Å; R92-Y538 WeakPolarHBondContact CD-OH 3.44Å; R92-Y538 HydrophobicContact CG-CE2 3.94Å; R92-Y538 WeakPolarHBondContact O-CE2 3.36Å
93	D	89.3	Confident	93.9	Very high	36 Å²	36	61 Å²	61	19%	0.193	31%	0.311	C	S	.	.	S	Bend	trans	-70.2	-32.5	178.7	59.6	-59.8	0	0	0	113.1	G91 R104 Y152 Y240	G91-D93 VanDerWaalsContact C-N 3.33Å; G91-D93 PolarHBondContact O-N 2.78Å; D93-R104 IonicContact OD1-CZ 2.72Å; D93-R104 IonicContact OD1-NH1 2.71Å; D93-R104 PolarHBondContact OD1-NH1 2.83Å; D93-R104 IonicContact OD1-NH2 3.56Å; D93-R104 PolarHBondContact OD1-NH2 2.94Å; D93-R104 IonicContact OD2-CZ 2.72Å; D93-R104 IonicContact OD2-NH1 3.53Å; D93-R104 IonicContact OD2-NH2 3.92Å; D93-R104 PolarHBondContact OD2-NH2 2.93Å; D93-Y152 VanDerWaalsContact OD1-CE2 3.3Å; D93-Y152 WeakPolarHBondContact OD1-CE2 3.33Å; D93-Y240 HydrophobicContact CB-CE2 4.48Å
94	R	91.2	Very high	94.1	Very high	116 Å²	116	59 Å²	59	44%	0.438	29%	0.294	S	S	.	.	S	Bend	trans	-163.3	152.1	175.9	67.3	-175.2	-170.7	85.5	-9.3	111.5	G91 L96 E100	G91-R94 CarbonylContact C-O 3.59Å; G91-R94 CarbonylContact O-C 3.6Å; G91-R94 VanDerWaalsContact O-C 3.26Å; G91-R94 PolarHBondContact O-N 3.22Å; R94-L96 HydrophobicContact CG-CD2 3.87Å; R94-L96 WeakPolarHBondContact O-CG 3.49Å; R94-L96 PolarHBondContact O-N 3.31Å; R94-E100 IonicContact CZ-OE1 3.46Å; R94-E100 IonicContact NH1-OE1 2.76Å; R94-E100 PolarHBondContact NH1-OE1 3.42Å; R94-E100 IonicContact NH1-OE2 3.18Å; R94-E100 IonicContact NH2-OE1 3.88Å; R94-E100 PolarHBondContact NH2-OE1 3.47Å
95	L	90.1	Very high	94.2	Very high	167 Å²	167	58.7 Å²	58.7	87%	0.874	30%	0.298	S	S	*	.			trans	-56.2	135.7	169.8	-170.4	67.9	0	0	0	110.8
96	L	94	Very high	94.4	Very high	17 Å²	17	55 Å²	55	9%	0.089	28%	0.282	C	S	.	.			trans	-120.2	142.6	-179	-55	177.2	0	0	0	110.9	R94 E100 C101 C120	R94-L96 HydrophobicContact CG-CD2 3.87Å; R94-L96 WeakPolarHBondContact O-CG 3.49Å; R94-L96 PolarHBondContact O-N 3.31Å; L96-E100 HydrophobicContact CB-CB 4.19Å; L96-E100 HydrophobicContact CD2-CB 4.19Å; L96-C101 HydrophobicContact CD1-CB 4.49Å; L96-C120 HydrophobicContact CD1-CB 4.42Å
97	S	95.1	Very high	94.5	Very high	52 Å²	52	53.3 Å²	53.3	36%	0.364	27%	0.27	S	S	.	.			trans	-71.1	171.9	159.4	61.9	0	0	0	0	111.9	E100 C101	S97-E100 WeakPolarHBondContact CB-OE2 3.26Å; S97-E100 PolarHBondContact N-OE2 3.42Å; S97-E100 VanDerWaalsContact OG-CG 3.29Å; S97-E100 WeakPolarHBondContact OG-CG 3.47Å; S97-E100 PolarHBondContact OG-N 2.83Å; S97-E100 PolarHBondContact OG-OE2 3.47Å; S97-C101 WeakPolarHBondContact O-CB 3.23Å; S97-C101 PolarHBondContact O-N 3.16Å
98	Q	95.3	Very high	94.4	Very high	101 Å²	101	55.1 Å²	55.1	47%	0.472	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-47.7	174.6	178.1	170	-4.3	0	0	112	C101 E102 Y108	Q98-C101 WeakPolarHBondContact O-CB 3.23Å; Q98-C101 PolarHBondContact O-N 2.61Å; Q98-E102 HydrophobicContact CG-CG 4.48Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.46Å; Q98-E102 PolarHBondContact NE2-OE1 2.85Å; Q98-E102 WeakPolarHBondContact O-CG 3.29Å; Q98-E102 PolarHBondContact O-N 2.67Å; Q98-Y108 HydrophobicContact CB-CD1 3.67Å; Q98-Y108 HydrophobicContact CB-CD2 4.26Å; Q98-Y108 HydrophobicContact CB-CE1 3.7Å; Q98-Y108 HydrophobicContact CB-CE2 4.28Å; Q98-Y108 HydrophobicContact CB-CG 3.95Å; Q98-Y108 HydrophobicContact CG-CD1 3.53Å; Q98-Y108 HydrophobicContact CG-CE1 4.04Å; Q98-Y108 HydrophobicContact CG-CG 3.82Å
99	E	96.8	Very high	94.3	Very high	142 Å²	142	55.8 Å²	55.8	66%	0.664	29%	0.286	S	S	*	.	H	α-helix	trans	-59.5	-48.7	179.9	-173.3	171.7	-165	0	0	110.9	C101 E102 D103	E99-C101 VanDerWaalsContact C-N 3.29Å; E99-C101 PolarHBondContact O-N 2.72Å; E99-E102 PolarHBondContact O-N 2.97Å; E99-D103 WeakPolarHBondContact O-CB 3.44Å; E99-D103 PolarHBondContact O-N 3.35Å
100	E	96.8	Very high	93.9	Very high	63 Å²	63	57.7 Å²	57.7	29%	0.294	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-30.4	177.3	-67.1	168.8	110.3	0	0	113.7	R94 L96 S97 R104	R94-E100 IonicContact CZ-OE1 3.46Å; R94-E100 IonicContact NH1-OE1 2.76Å; R94-E100 PolarHBondContact NH1-OE1 3.42Å; R94-E100 IonicContact NH1-OE2 3.18Å; R94-E100 IonicContact NH2-OE1 3.88Å; R94-E100 PolarHBondContact NH2-OE1 3.47Å; L96-E100 HydrophobicContact CB-CB 4.19Å; L96-E100 HydrophobicContact CD2-CB 4.19Å; S97-E100 WeakPolarHBondContact CB-OE2 3.26Å; S97-E100 PolarHBondContact N-OE2 3.42Å; S97-E100 VanDerWaalsContact OG-CG 3.29Å; S97-E100 WeakPolarHBondContact OG-CG 3.47Å; S97-E100 PolarHBondContact OG-N 2.83Å; S97-E100 PolarHBondContact OG-OE2 3.47Å; E100-R104 WeakPolarHBondContact O-CG 3.03Å; E100-R104 PolarHBondContact O-N 3.35Å
101	C	96.7	Very high	93.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.3	-46.7	174	-176.1	0	0	0	0	111.5	L96 S97 Q98 E99 R104 C106 C107 Y108 C120	L96-C101 HydrophobicContact CD1-CB 4.49Å; S97-C101 WeakPolarHBondContact O-CB 3.23Å; S97-C101 PolarHBondContact O-N 3.16Å; Q98-C101 WeakPolarHBondContact O-CB 3.23Å; Q98-C101 PolarHBondContact O-N 2.61Å; E99-C101 VanDerWaalsContact C-N 3.29Å; E99-C101 PolarHBondContact O-N 2.72Å; C101-R104 WeakPolarHBondContact O-CB 3.49Å; C101-R104 PolarHBondContact O-N 3.48Å; C101-C106 WeakPolarHBondContact O-CA 3.15Å; C101-C106 WeakPolarHBondContact O-CB 3.47Å; C101-C106 PolarHBondContact O-N 2.92Å; C101-C107 PolarHBondContact SG-O 3.12Å; C101-Y108 HydrophobicContact CB-CD2 3.94Å; C101-C120 HydrophobicContact CB-CB 3.8Å; C101-C120 WeakPolarHBondContact CB-SG 3.44Å; C101-C120 WeakPolarHBondContact SG-CA 3.49Å; C101-C120 WeakPolarHBondContact SG-CB 3.49Å; C101-C120 CovalentContact SG-SG 2.03Å; C101-C120 PolarHBondContact SG-SG 2.85Å
102	E	95.3	Very high	92.2	Very high	81 Å²	81	65.7 Å²	65.7	38%	0.379	35%	0.347	S	S	.	.	H	α-helix	trans	-69	-34.5	180	-69.6	176.6	-163.1	0	0	111.8	Q98 E99 R104 G105	Q98-E102 HydrophobicContact CG-CG 4.48Å; Q98-E102 WeakPolarHBondContact CG-OE1 3.46Å; Q98-E102 PolarHBondContact NE2-OE1 2.85Å; Q98-E102 WeakPolarHBondContact O-CG 3.29Å; Q98-E102 PolarHBondContact O-N 2.67Å; E99-E102 PolarHBondContact O-N 2.97Å; E102-R104 VanDerWaalsContact C-N 3.35Å; E102-G105 WeakPolarHBondContact O-CA 3.46Å; E102-G105 PolarHBondContact O-N 3.16Å
103	D	94.9	Very high	90.8	Very high	133 Å²	133	67.6 Å²	67.6	71%	0.711	38%	0.382	S	S	*	.	H	α-helix	trans	-64.7	-34.3	172.5	-84.7	-11.2	0	0	0	112.8	E99 G105	E99-D103 WeakPolarHBondContact O-CB 3.44Å; E99-D103 PolarHBondContact O-N 3.35Å; D103-G105 PolarHBondContact O-N 2.86Å
104	R	94.5	Very high	89.4	Confident	35 Å²	35	67.9 Å²	67.9	13%	0.132	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.2	169.4	-76.8	-178.5	178.3	-161.2	-8	113.3	C90 D93 E100 C101 E102 C106 Y126 Y152	C90-R104 PolarHBondContact O-NH1 3.03Å; D93-R104 IonicContact OD1-CZ 2.72Å; D93-R104 IonicContact OD1-NH1 2.71Å; D93-R104 PolarHBondContact OD1-NH1 2.83Å; D93-R104 IonicContact OD1-NH2 3.56Å; D93-R104 PolarHBondContact OD1-NH2 2.94Å; D93-R104 IonicContact OD2-CZ 2.72Å; D93-R104 IonicContact OD2-NH1 3.53Å; D93-R104 IonicContact OD2-NH2 3.92Å; D93-R104 PolarHBondContact OD2-NH2 2.93Å; E100-R104 WeakPolarHBondContact O-CG 3.03Å; E100-R104 PolarHBondContact O-N 3.35Å; C101-R104 WeakPolarHBondContact O-CB 3.49Å; C101-R104 PolarHBondContact O-N 3.48Å; E102-R104 VanDerWaalsContact C-N 3.35Å; R104-C106 VanDerWaalsContact C-N 3.35Å; R104-Y126 WeakPolarHBondContact O-CE2 3.29Å; R104-Y126 PolarHBondContact O-OH 3.43Å; R104-Y152 HydrophobicContact CG-CD1 4.27Å; R104-Y152 HydrophobicContact CG-CG 4.27Å
105	G	93.8	Very high	88	Confident	33 Å²	33	67.8 Å²	67.8	34%	0.34	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	21.1	-171.9	0	0	0	0	0	113.3	E102 D103	E102-G105 WeakPolarHBondContact O-CA 3.46Å; E102-G105 PolarHBondContact O-N 3.16Å; D103-G105 PolarHBondContact O-N 2.86Å
106	C	96.2	Very high	87.5	Confident	9 Å²	9	61.4 Å²	61.4	6%	0.061	39%	0.385	C	S	.	.			trans	-101.4	166.8	-179.1	-73.2	0	0	0	0	112.5	C90 C101 R104 F121 Y126	C90-C106 HydrophobicContact CB-CB 3.66Å; C90-C106 WeakPolarHBondContact CB-SG 3.42Å; C90-C106 WeakPolarHBondContact SG-CB 3.47Å; C90-C106 CovalentContact SG-SG 2.02Å; C90-C106 PolarHBondContact SG-SG 3.06Å; C101-C106 WeakPolarHBondContact O-CA 3.15Å; C101-C106 WeakPolarHBondContact O-CB 3.47Å; C101-C106 PolarHBondContact O-N 2.92Å; R104-C106 VanDerWaalsContact C-N 3.35Å; C106-F121 WeakPolarHBondContact CB-O 3.49Å; C106-Y126 VanDerWaalsContact SG-CE2 3.52Å
107	C	95.9	Very high	87.2	Confident	4 Å²	4	61.4 Å²	61.4	3%	0.027	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.5	-178.7	-64.7	0	0	0	0	110.6	C80 C101 C120 F121	C80-C107 WeakPolarHBondContact CA-SG 3.29Å; C80-C107 HydrophobicContact CB-CB 3.64Å; C80-C107 WeakPolarHBondContact CB-SG 3.36Å; C80-C107 WeakPolarHBondContact SG-CB 3.5Å; C80-C107 CovalentContact SG-SG 2.04Å; C80-C107 PolarHBondContact SG-SG 3.17Å; C101-C107 PolarHBondContact SG-O 3.12Å; C107-C120 CarbonylContact O-C 3.56Å; C107-C120 WeakPolarHBondContact O-CA 3.3Å; C107-F121 HydrophobicContact CB-CD1 4.09Å; C107-F121 HydrophobicContact CB-CD2 3.99Å; C107-F121 HydrophobicContact CB-CE1 3.65Å; C107-F121 HydrophobicContact CB-CE2 3.55Å; C107-F121 HydrophobicContact CB-CG 4.24Å; C107-F121 HydrophobicContact CB-CZ 3.37Å; C107-F121 PolarHBondContact N-O 2.88Å; C107-F121 VanDerWaalsContact O-CD1 3.23Å; C107-F121 WeakPolarHBondContact O-CD1 3.19Å; C107-F121 WeakPolarHBondContact O-CE1 3.46Å; C107-F121 PolarHBondContact O-N 2.87Å
108	Y	94	Very high	87.1	Confident	58 Å²	58	59.6 Å²	59.6	23%	0.227	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.2	176.7	-168.9	-95.6	0	0	0	111.2	Q98 C101 P110 W119 C120	Q98-Y108 HydrophobicContact CB-CD1 3.67Å; Q98-Y108 HydrophobicContact CB-CD2 4.26Å; Q98-Y108 HydrophobicContact CB-CE1 3.7Å; Q98-Y108 HydrophobicContact CB-CE2 4.28Å; Q98-Y108 HydrophobicContact CB-CG 3.95Å; Q98-Y108 HydrophobicContact CG-CD1 3.53Å; Q98-Y108 HydrophobicContact CG-CE1 4.04Å; Q98-Y108 HydrophobicContact CG-CG 3.82Å; C101-Y108 HydrophobicContact CB-CD2 3.94Å; Y108-P110 HydrophobicContact CE1-CG 4.13Å; Y108-W119 CarbonylContact C-O 3.55Å; Y108-W119 WeakPolarHBondContact CA-O 3.23Å; Y108-W119 HydrophobicContact CE2-CB 4.15Å; Y108-C120 HydrophobicContact CD2-CB 4.33Å
109	A	92.7	Very high	87	Confident	29 Å²	29	60.4 Å²	60.4	24%	0.24	37%	0.372	C	S	.	.			trans	-143.1	91.1	178	0	0	0	0	0	111.5	R87 W119 F121	R87-A109 PolarHBondContact NH1-O 2.84Å; A109-W119 PolarHBondContact N-O 2.84Å; A109-F121 HydrophobicContact CB-CE1 3.89Å
110	P	88.8	Confident	86.9	Confident	73 Å²	73	54.1 Å²	54.1	47%	0.474	34%	0.344	S	S	.	.			trans	-67.4	150.1	-177.5	29.2	-35.2	0	0	0	112.1	Y108 W119	Y108-P110 HydrophobicContact CE1-CG 4.13Å; P110-W119 HydrophobicContact CB-CD2 3.73Å; P110-W119 HydrophobicContact CB-CE3 3.88Å; P110-W119 HydrophobicContact CB-CG 4.11Å; P110-W119 HydrophobicContact CB-CZ2 4.43Å; P110-W119 HydrophobicContact CB-CZ3 4.29Å
111	L	83.7	Confident	86.9	Confident	45 Å²	45	51.1 Å²	51.1	24%	0.236	33%	0.33	C	S	.	.			trans	-114.4	135	177.8	-66	172.9	0	0	0	110.4	P84 G113 P117	P84-L111 HydrophobicContact CB-CD1 4.02Å; P84-L111 HydrophobicContact CG-CD1 4.35Å; P84-L111 HydrophobicContact CG-CD2 4.49Å; L111-G113 PolarHBondContact O-N 2.88Å; L111-G113 VanDerWaalsContact O-N 3.15Å; L111-P117 HydrophobicContact CD1-CB 3.71Å; L111-P117 HydrophobicContact CD1-CG 3.74Å
112	P	69.3	Low	86.9	Confident	136 Å²	136	51.7 Å²	51.7	88%	0.883	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	114.2	179.8	-17.2	30.3	0	0	0	111.7
113	G	63.7	Low	86.8	Confident	89 Å²	89	48.6 Å²	48.6	92%	0.918	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	18.9	163.9	0	0	0	0	0	117.5	L111	L111-G113 PolarHBondContact O-N 2.88Å; L111-G113 VanDerWaalsContact O-N 3.15Å
114	S	58.3	Low	86.3	Confident	43 Å²	43	46 Å²	46	30%	0.301	32%	0.316	S	S	.	.			trans	-112.5	124.4	179.4	63.7	0	0	0	0	114.1
115	A	62.4	Low	85.8	Confident	114 Å²	114	50.1 Å²	50.1	94%	0.942	34%	0.34	S	S	*	.	S	Bend	trans	-75.2	126.5	137.9	0	0	0	0	0	106.7
116	G	79.1	Confident	85.7	Confident	32 Å²	32	49.4 Å²	49.4	33%	0.33	33%	0.327	S	S	.	.	S	Bend	trans	154.6	-124.2	-168.3	0	0	0	0	0	111.5
117	P	88.9	Confident	85.5	Confident	18 Å²	18	53 Å²	53	12%	0.117	35%	0.35	C	S	.	.	S	Bend	trans	-57.6	138.9	-175.5	-21.9	30	0	0	0	113.8	P84 L111 W268	P84-P117 HydrophobicContact CB-CB 4.05Å; P84-P117 HydrophobicContact CB-CG 3.78Å; P84-P117 WeakPolarHBondContact O-CB 3.41Å; L111-P117 HydrophobicContact CD1-CB 3.71Å; L111-P117 HydrophobicContact CD1-CG 3.74Å; P117-W268 VanDerWaalsContact CA-CZ2 3.5Å; P117-W268 HydrophobicContact CB-CH2 4.13Å; P117-W268 HydrophobicContact CB-CZ2 3.59Å; P117-W268 HydrophobicContact CG-CZ2 3.63Å
118	P	92.8	Very high	85.3	Confident	14 Å²	14	53.2 Å²	53.2	9%	0.091	35%	0.353	C	S	.	.			trans	-65.8	140.1	-179.9	27.6	-34.6	0	0	0	111.1	R87 D89 F121 W268	R87-P118 HydrophobicContact CB-CG 3.81Å; R87-P118 WeakPolarHBondContact CD-O 3.23Å; R87-P118 WeakPolarHBondContact O-CG 3.34Å; D89-P118 HydrophobicContact CB-CB 3.85Å; D89-P118 HydrophobicContact CB-CG 4Å; P118-F121 HydrophobicContact CG-CB 4.37Å; P118-W268 VanDerWaalsContact CD-CZ3 3.41Å; P118-W268 HydrophobicContact CG-CZ3 4.36Å
119	W	93	Very high	85.5	Confident	117 Å²	117	50.5 Å²	50.5	44%	0.443	34%	0.343	S	S	.	.	S	Bend	trans	-76.6	-38.9	175.5	-65.4	4.8	0	0	0	111.1	Y108 A109 P110	Y108-W119 CarbonylContact C-O 3.55Å; Y108-W119 WeakPolarHBondContact CA-O 3.23Å; Y108-W119 HydrophobicContact CE2-CB 4.15Å; A109-W119 PolarHBondContact N-O 2.84Å; P110-W119 HydrophobicContact CB-CD2 3.73Å; P110-W119 HydrophobicContact CB-CE3 3.88Å; P110-W119 HydrophobicContact CB-CG 4.11Å; P110-W119 HydrophobicContact CB-CZ2 4.43Å; P110-W119 HydrophobicContact CB-CZ3 4.29Å
120	C	95.1	Very high	85.7	Confident	11 Å²	11	52.1 Å²	52.1	7%	0.074	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.7	171.5	-174.3	0	0	0	0	110.3	C90 L96 C101 C107 Y108	C90-C120 PolarHBondContact N-O 3.31Å; L96-C120 HydrophobicContact CD1-CB 4.42Å; C101-C120 HydrophobicContact CB-CB 3.8Å; C101-C120 WeakPolarHBondContact CB-SG 3.44Å; C101-C120 WeakPolarHBondContact SG-CA 3.49Å; C101-C120 WeakPolarHBondContact SG-CB 3.49Å; C101-C120 CovalentContact SG-SG 2.03Å; C101-C120 PolarHBondContact SG-SG 2.85Å; C107-C120 CarbonylContact O-C 3.56Å; C107-C120 WeakPolarHBondContact O-CA 3.3Å; Y108-C120 HydrophobicContact CD2-CB 4.33Å
121	F	95.9	Very high	86.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.5	-174	64.5	-82.9	0	0	0	112.7	R87 F88 C106 C107 A109 P118	R87-F121 HydrophobicContact CB-CB 3.74Å; R87-F121 HydrophobicContact CB-CD1 4.41Å; R87-F121 HydrophobicContact CB-CD2 4.2Å; R87-F121 HydrophobicContact CB-CG 3.87Å; R87-F121 HydrophobicContact CG-CB 4.2Å; R87-F121 HydrophobicContact CG-CD1 4.01Å; R87-F121 HydrophobicContact CG-CD2 3.82Å; R87-F121 HydrophobicContact CG-CE1 4.37Å; R87-F121 HydrophobicContact CG-CE2 4.18Å; R87-F121 HydrophobicContact CG-CG 3.73Å; R87-F121 HydrophobicContact CG-CZ 4.43Å; F88-F121 CarbonylContact O-C 3.47Å; F88-F121 WeakPolarHBondContact O-CA 3.4Å; F88-F121 VanDerWaalsContact O-CB 3.26Å; F88-F121 WeakPolarHBondContact O-CB 3.4Å; C106-F121 WeakPolarHBondContact CB-O 3.49Å; C107-F121 HydrophobicContact CB-CD1 4.09Å; C107-F121 HydrophobicContact CB-CD2 3.99Å; C107-F121 HydrophobicContact CB-CE1 3.65Å; C107-F121 HydrophobicContact CB-CE2 3.55Å; C107-F121 HydrophobicContact CB-CG 4.24Å; C107-F121 HydrophobicContact CB-CZ 3.37Å; C107-F121 PolarHBondContact N-O 2.88Å; C107-F121 VanDerWaalsContact O-CD1 3.23Å; C107-F121 WeakPolarHBondContact O-CD1 3.19Å; C107-F121 WeakPolarHBondContact O-CE1 3.46Å; C107-F121 PolarHBondContact O-N 2.87Å; A109-F121 HydrophobicContact CB-CE1 3.89Å; P118-F121 HydrophobicContact CG-CB 4.37Å
122	Y	96	Very high	86.8	Confident	11 Å²	11	47.8 Å²	47.8	4%	0.043	33%	0.326	C	S	.	.			trans	-69.1	134.5	178.7	-58.9	-72.1	0	0	0	112	F88 D89 C90 Y126 Y152 P233 L235	F88-Y122 HydrophobicContact CB-CD2 3.89Å; F88-Y122 VanDerWaalsContact O-CD2 3.3Å; F88-Y122 WeakPolarHBondContact O-CD2 3.07Å; F88-Y122 PolarHBondContact O-N 3.35Å; D89-Y122 WeakPolarHBondContact O-CE2 3.02Å; D89-Y122 PolarHBondContact O-OH 2.93Å; C90-Y122 HydrophobicContact CB-CD1 3.88Å; C90-Y122 HydrophobicContact CB-CD2 4.37Å; C90-Y122 HydrophobicContact CB-CE1 3.71Å; C90-Y122 HydrophobicContact CB-CE2 4.22Å; C90-Y122 HydrophobicContact CB-CG 4.21Å; Y122-Y126 AromaticContact CD1-CD1 3.81Å; Y122-Y126 HydrophobicContact CD1-CD1 3.81Å; Y122-Y126 AromaticContact CD1-CD2 3.92Å; Y122-Y126 HydrophobicContact CD1-CD2 3.92Å; Y122-Y126 HydrophobicContact CD1-CE1 4.1Å; Y122-Y126 HydrophobicContact CD1-CE2 4.2Å; Y122-Y126 AromaticContact CD1-CG 3.69Å; Y122-Y126 HydrophobicContact CD1-CG 3.69Å; Y122-Y126 HydrophobicContact CE1-CD1 4.15Å; Y122-Y126 HydrophobicContact CE1-CE1 4.05Å; Y122-Y126 HydrophobicContact CE1-CG 4.46Å; Y122-Y152 HydrophobicContact CE1-CE1 4.36Å; Y122-Y152 PolarHBondContact OH-OH 3.01Å; Y122-P233 HydrophobicContact CD1-CG 3.58Å; Y122-P233 HydrophobicContact CD2-CG 4.02Å; Y122-P233 HydrophobicContact CE1-CG 3.63Å; Y122-P233 HydrophobicContact CE2-CG 4.08Å; Y122-P233 HydrophobicContact CG-CG 3.78Å; Y122-L235 WeakPolarHBondContact OH-CD1 3.18Å
123	P	93.9	Very high	88	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.104	32%	0.316	C	S	.	.			trans	-64.1	158.3	162.1	27.8	-35	0	0	0	110.9	E79 L125 Y126	E79-P123 HydrophobicContact CB-CB 4.2Å; P123-L125 PolarHBondContact O-N 3.15Å; P123-Y126 HydrophobicContact CG-CD2 3.97Å; P123-Y126 PolarHBondContact O-N 3.24Å
124	A	84.8	Confident	89.5	Confident	80 Å²	80	44.9 Å²	44.9	66%	0.661	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.1	-176.3	0	0	0	0	0	115.1
125	L	83.9	Confident	91.3	Very high	121 Å²	121	46 Å²	46	63%	0.634	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	42.8	178	-66.9	174.7	0	0	0	111.6	P123	P123-L125 PolarHBondContact O-N 3.15Å
126	Y	92.1	Very high	92.7	Very high	18 Å²	18	46.2 Å²	46.2	7%	0.071	28%	0.284	C	S	.	.			trans	-61.6	137.7	175.4	-167.7	-98.3	0	0	0	111.8	R104 C106 Y122 P123 G128 P233	R104-Y126 WeakPolarHBondContact O-CE2 3.29Å; R104-Y126 PolarHBondContact O-OH 3.43Å; C106-Y126 VanDerWaalsContact SG-CE2 3.52Å; Y122-Y126 AromaticContact CD1-CD1 3.81Å; Y122-Y126 HydrophobicContact CD1-CD1 3.81Å; Y122-Y126 AromaticContact CD1-CD2 3.92Å; Y122-Y126 HydrophobicContact CD1-CD2 3.92Å; Y122-Y126 HydrophobicContact CD1-CE1 4.1Å; Y122-Y126 HydrophobicContact CD1-CE2 4.2Å; Y122-Y126 AromaticContact CD1-CG 3.69Å; Y122-Y126 HydrophobicContact CD1-CG 3.69Å; Y122-Y126 HydrophobicContact CE1-CD1 4.15Å; Y122-Y126 HydrophobicContact CE1-CE1 4.05Å; Y122-Y126 HydrophobicContact CE1-CG 4.46Å; P123-Y126 HydrophobicContact CG-CD2 3.97Å; P123-Y126 PolarHBondContact O-N 3.24Å; Y126-G128 PolarHBondContact O-N 2.85Å; Y126-P233 HydrophobicContact CD1-CB 3.84Å; Y126-P233 HydrophobicContact CD1-CG 3.66Å; Y126-P233 HydrophobicContact CE1-CG 4.39Å; Y126-P233 HydrophobicContact CG-CG 4.29Å
127	P	90.6	Very high	93.1	Very high	83 Å²	83	47 Å²	47	54%	0.539	29%	0.285	S	S	.	.			trans	-57	124	179.4	-27.1	35.8	0	0	0	113.2	R147	P127-R147 PolarHBondContact O-NH2 2.86Å
128	G	92.7	Very high	92.7	Very high	9 Å²	9	56 Å²	56	9%	0.093	33%	0.325	C	S	.	.			trans	-128.1	-156.1	178.7	0	0	0	0	0	112.1	Y126	Y126-G128 PolarHBondContact O-N 2.85Å
129	Y	97.6	Very high	91.9	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-77.9	147.5	170.6	-67.7	-97.8	0	0	0	110.7	L145 T146 R147 I157 L160 P212 F213 L234 F236	Y129-L145 HydrophobicContact CD1-CB 3.99Å; Y129-L145 HydrophobicContact CG-CB 4.29Å; Y129-T146 CarbonylContact C-O 3.47Å; Y129-R147 HydrophobicContact CD1-CB 3.88Å; Y129-R147 HydrophobicContact CE1-CB 3.84Å; Y129-R147 HydrophobicContact CG-CB 4.36Å; Y129-I157 WeakPolarHBondContact CE1-O 3.46Å; Y129-I157 PolarHBondContact OH-O 2.99Å; Y129-L160 HydrophobicContact CD1-CD1 4.21Å; Y129-L160 HydrophobicContact CD1-CG 4.38Å; Y129-L160 HydrophobicContact CE1-CD1 3.73Å; Y129-L160 HydrophobicContact CE1-CG 3.76Å; Y129-L160 HydrophobicContact CE2-CD1 4.13Å; Y129-P212 CarbonylContact O-C 3.57Å; Y129-F213 VanDerWaalsContact O-CB 3.23Å; Y129-F213 WeakPolarHBondContact O-CB 3.3Å; Y129-F213 PolarHBondContact O-N 3.46Å; Y129-L234 HydrophobicContact CD2-CB 4.2Å; Y129-L234 HydrophobicContact CD2-CD2 3.82Å; Y129-L234 HydrophobicContact CD2-CG 3.9Å; Y129-L234 HydrophobicContact CE2-CD2 4.2Å; Y129-L234 HydrophobicContact CE2-CG 3.99Å; Y129-L234 WeakPolarHBondContact CE2-O 3.43Å; Y129-L234 HydrophobicContact CG-CD2 4.44Å; Y129-F236 HydrophobicContact CE2-CB 4.38Å; Y129-F236 PolarHBondContact OH-O 2.83Å
130	N	97.3	Very high	91.7	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.342	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.9	166.8	-178.6	-65.6	0	0	0	109.3	L145 T146 H210 D211	N130-L145 CarbonylContact O-C 3.35Å; N130-L145 WeakPolarHBondContact O-CA 3.38Å; N130-T146 PolarHBondContact N-O 2.81Å; N130-T146 PolarHBondContact O-N 2.82Å; N130-H210 CarbonylContact C-O 3.57Å; N130-H210 WeakPolarHBondContact CA-O 3.45Å; N130-D211 PolarHBondContact ND2-OD2 3.24Å
131	M	97.4	Very high	91.6	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.025	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.4	-176.5	176.9	177.7	173.7	0	0	112.4	L134 A143 L145 L162 F208 H210 F213	M131-L134 HydrophobicContact CE-CD1 4Å; M131-L134 HydrophobicContact CE-CD2 3.72Å; M131-L134 HydrophobicContact CE-CG 3.57Å; M131-A143 HydrophobicContact CE-CB 3.82Å; M131-A143 HydrophobicContact CG-CB 4.18Å; M131-L145 HydrophobicContact CB-CD2 3.58Å; M131-L145 HydrophobicContact CG-CD2 3.65Å; M131-L145 HydrophobicContact SD-CD2 4.45Å; M131-L162 HydrophobicContact CE-CD2 3.9Å; M131-L162 HydrophobicContact SD-CD2 4.26Å; M131-F208 HydrophobicContact CE-CB 4.19Å; M131-F208 HydrophobicContact CE-CD1 3.92Å; M131-F208 HydrophobicContact CE-CD2 4.32Å; M131-F208 HydrophobicContact CE-CE1 4.37Å; M131-F208 HydrophobicContact CE-CG 3.88Å; M131-F208 HydrophobicContact SD-CB 3.88Å; M131-F208 HydrophobicContact SD-CD1 3.87Å; M131-F208 HydrophobicContact SD-CG 4.02Å; M131-H210 PolarHBondContact N-O 2.85Å; M131-H210 PolarHBondContact O-ND1 2.84Å; M131-F213 HydrophobicContact CB-CB 4.42Å; M131-F213 HydrophobicContact CB-CD2 3.75Å; M131-F213 HydrophobicContact CB-CG 4.43Å; M131-F213 HydrophobicContact CG-CD2 4.1Å; M131-F213 HydrophobicContact CG-CE2 4.4Å; M131-F213 HydrophobicContact SD-CD2 3.56Å; M131-F213 VanDerWaalsContact SD-CD2 3.56Å; M131-F213 HydrophobicContact SD-CE2 3.49Å; M131-F213 WeakPolarHBondContact SD-CE2 3.26Å
132	G	97.1	Very high	91.7	Very high	22 Å²	22	63 Å²	63	23%	0.227	37%	0.369	C	S	.	.			trans	-68.4	175.4	168.4	0	0	0	0	0	113.7	T144	G132-T144 PolarHBondContact N-O 2.78Å
133	P	96.3	Very high	91.7	Very high	105 Å²	105	62.7 Å²	62.7	68%	0.682	37%	0.368	S	S	*	.			trans	-63.7	143.4	-179.3	27.8	-35.2	0	0	0	111.9
134	L	94.9	Very high	91.9	Very high	59 Å²	59	65.6 Å²	65.6	31%	0.309	39%	0.385	S	S	.	.			trans	-67.8	131.2	168.7	-74.9	162.9	0	0	0	110.2	M131 Q141 T142 A143 V164 F208	M131-L134 HydrophobicContact CE-CD1 4Å; M131-L134 HydrophobicContact CE-CD2 3.72Å; M131-L134 HydrophobicContact CE-CG 3.57Å; L134-Q141 HydrophobicContact CD2-CB 4.04Å; L134-T142 CarbonylContact C-O 3.59Å; L134-T142 WeakPolarHBondContact CA-O 3.39Å; L134-A143 HydrophobicContact CD2-CB 4.03Å; L134-V164 HydrophobicContact CD2-CG2 4.06Å; L134-F208 HydrophobicContact CD1-CD2 3.87Å; L134-F208 HydrophobicContact CD1-CE2 3.73Å
135	T	95.3	Very high	92.6	Very high	67 Å²	67	61.8 Å²	61.8	41%	0.411	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.4	174.2	56.8	0	0	0	0	110.3	Q141 T142	T135-Q141 CarbonylContact O-C 3.11Å; T135-Q141 VanDerWaalsContact O-CA 3.28Å; T135-Q141 WeakPolarHBondContact O-CA 3.44Å; T135-T142 PolarHBondContact N-O 3.19Å; T135-T142 PolarHBondContact O-N 2.81Å; T135-T142 WeakPolarHBondContact OG1-CG2 3.29Å; T135-T142 PolarHBondContact OG1-O 2.66Å
136	P	92.5	Very high	93.2	Very high	118 Å²	118	59 Å²	59	77%	0.766	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	144.9	174.6	-22.6	34.3	0	0	0	112.5
137	S	87.3	Confident	93.3	Very high	49 Å²	49	59 Å²	59	34%	0.343	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	171.9	172.9	72.9	0	0	0	0	110.5	K139 G140 Q141	S137-K139 PolarHBondContact O-N 3.06Å; S137-G140 PolarHBondContact N-O 2.94Å; S137-G140 PolarHBondContact O-N 2.74Å; S137-G140 VanDerWaalsContact OG-C 3.26Å; S137-G140 PolarHBondContact OG-N 2.76Å; S137-G140 PolarHBondContact OG-O 3.16Å; S137-Q141 PolarHBondContact OG-N 2.93Å
138	E	79.6	Confident	93.3	Very high	205 Å²	205	60.9 Å²	60.9	96%	0.958	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.7	179.7	-63.5	-176	162.7	0	0	113.6
139	K	77.7	Confident	93.1	Very high	146 Å²	146	64.1 Å²	64.1	64%	0.635	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-1.6	-177.2	-61.7	-172.7	178.9	-176.2	0	114.4	S137 I165	S137-K139 PolarHBondContact O-N 3.06Å; K139-I165 HydrophobicContact CB-CD1 4.15Å; K139-I165 HydrophobicContact CB-CG1 3.98Å; K139-I165 HydrophobicContact CB-CG2 4.47Å; K139-I165 HydrophobicContact CD-CD1 3.95Å
140	G	87.4	Confident	92.7	Very high	32 Å²	32	69.1 Å²	69.1	33%	0.33	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.9	-115.3	-173	0	0	0	0	0	112.2	S137	S137-G140 PolarHBondContact N-O 2.94Å; S137-G140 PolarHBondContact O-N 2.74Å; S137-G140 VanDerWaalsContact OG-C 3.26Å; S137-G140 PolarHBondContact OG-N 2.76Å; S137-G140 PolarHBondContact OG-O 3.16Å
141	Q	94.2	Very high	92.5	Very high	88 Å²	88	66.7 Å²	66.7	41%	0.411	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.5	178.1	-61.3	-178.9	-35.4	0	0	111.4	L134 T135 S137 V164	L134-Q141 HydrophobicContact CD2-CB 4.04Å; T135-Q141 CarbonylContact O-C 3.11Å; T135-Q141 VanDerWaalsContact O-CA 3.28Å; T135-Q141 WeakPolarHBondContact O-CA 3.44Å; S137-Q141 PolarHBondContact OG-N 2.93Å; Q141-V164 HydrophobicContact CB-CB 4.25Å; Q141-V164 PolarHBondContact N-O 2.99Å; Q141-V164 PolarHBondContact O-N 3.29Å
142	T	96.5	Very high	92.3	Very high	25 Å²	25	68.8 Å²	68.8	15%	0.153	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	151.4	175	-174.4	0	0	0	0	111.4	L134 T135 R161 L162	L134-T142 CarbonylContact C-O 3.59Å; L134-T142 WeakPolarHBondContact CA-O 3.39Å; T135-T142 PolarHBondContact N-O 3.19Å; T135-T142 PolarHBondContact O-N 2.81Å; T135-T142 WeakPolarHBondContact OG1-CG2 3.29Å; T135-T142 PolarHBondContact OG1-O 2.66Å; T142-R161 WeakPolarHBondContact OG1-CG 3.44Å; T142-L162 CarbonylContact C-O 3.53Å; T142-L162 WeakPolarHBondContact CA-O 3.4Å; T142-L162 WeakPolarHBondContact CB-O 3.37Å; T142-L162 PolarHBondContact OG1-O 3.03Å
143	A	97.7	Very high	92.2	Very high	3 Å²	3	68.4 Å²	68.4	3%	0.025	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.2	170.4	0	0	0	0	0	110	M131 L134 L162	M131-A143 HydrophobicContact CE-CB 3.82Å; M131-A143 HydrophobicContact CG-CB 4.18Å; L134-A143 HydrophobicContact CD2-CB 4.03Å; A143-L162 HydrophobicContact CB-CB 4.44Å; A143-L162 HydrophobicContact CB-CD2 4.33Å; A143-L162 PolarHBondContact N-O 2.72Å; A143-L162 PolarHBondContact O-N 3.32Å
144	T	98.1	Very high	92.1	Very high	77 Å²	77	67 Å²	67	47%	0.472	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.4	167.4	-52.6	0	0	0	0	108.8	G132 T146 T159	G132-T144 PolarHBondContact N-O 2.78Å; T144-T146 HydrophobicContact CG2-CG2 3.97Å; T144-T159 HydrophobicContact CG2-CG2 3.7Å
145	L	98.4	Very high	92.1	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134	170.5	-50.8	-176	0	0	0	108.2	Y129 N130 M131 T159 L160 L162 L176 F213 L234	Y129-L145 HydrophobicContact CD1-CB 3.99Å; Y129-L145 HydrophobicContact CG-CB 4.29Å; N130-L145 CarbonylContact O-C 3.35Å; N130-L145 WeakPolarHBondContact O-CA 3.38Å; M131-L145 HydrophobicContact CB-CD2 3.58Å; M131-L145 HydrophobicContact CG-CD2 3.65Å; M131-L145 HydrophobicContact SD-CD2 4.45Å; L145-T159 CarbonylContact O-C 3.51Å; L145-T159 WeakPolarHBondContact O-CA 3.29Å; L145-L160 HydrophobicContact CB-CB 4.19Å; L145-L160 HydrophobicContact CD1-CB 4.47Å; L145-L160 PolarHBondContact N-O 2.75Å; L145-L160 PolarHBondContact O-N 2.89Å; L145-L162 HydrophobicContact CD1-CB 4.29Å; L145-L162 HydrophobicContact CD2-CB 4.32Å; L145-L162 HydrophobicContact CD2-CD2 4.47Å; L145-L162 HydrophobicContact CG-CB 4.13Å; L145-L176 HydrophobicContact CD1-CD2 3.49Å; L145-L176 VanDerWaalsContact CD1-CD2 3.49Å; L145-F213 HydrophobicContact CD1-CD1 3.55Å; L145-F213 HydrophobicContact CD1-CE1 3.52Å; L145-F213 HydrophobicContact CD1-CE2 4.47Å; L145-F213 HydrophobicContact CD1-CG 4.06Å; L145-F213 HydrophobicContact CD1-CZ 4.01Å; L145-F213 HydrophobicContact CD2-CD1 4.26Å; L145-F213 HydrophobicContact CD2-CD2 3.79Å; L145-F213 HydrophobicContact CD2-CE1 4.46Å; L145-F213 HydrophobicContact CD2-CE2 3.99Å; L145-F213 HydrophobicContact CD2-CG 3.91Å; L145-F213 HydrophobicContact CD2-CZ 4.32Å; L145-L234 HydrophobicContact CD1-CD2 4.17Å
146	T	97.6	Very high	92.2	Very high	63 Å²	63	66.7 Å²	66.7	39%	0.387	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.9	-178	56.3	0	0	0	0	111.6	Y129 N130 T144 S158 T159	Y129-T146 CarbonylContact C-O 3.47Å; N130-T146 PolarHBondContact N-O 2.81Å; N130-T146 PolarHBondContact O-N 2.82Å; T144-T146 HydrophobicContact CG2-CG2 3.97Å; T146-S158 CarbonylContact C-O 3.44Å; T146-S158 WeakPolarHBondContact CA-O 3.49Å; T146-T159 HydrophobicContact CG2-CG2 4.33Å
147	R	93.8	Very high	92.4	Very high	17 Å²	17	62 Å²	62	6%	0.064	35%	0.351	C	S	.	.			trans	-107.8	121.5	176	-160.3	-170.5	175.5	101	11.1	108.8	P127 Y129 S149 D156 S158	P127-R147 PolarHBondContact O-NH2 2.86Å; Y129-R147 HydrophobicContact CD1-CB 3.88Å; Y129-R147 HydrophobicContact CE1-CB 3.84Å; Y129-R147 HydrophobicContact CG-CB 4.36Å; R147-S149 VanDerWaalsContact CD-O 3.23Å; R147-S149 WeakPolarHBondContact CD-O 3.36Å; R147-S149 VanDerWaalsContact CG-O 3.29Å; R147-S149 WeakPolarHBondContact CG-O 3.49Å; R147-S149 PolarHBondContact NE-O 3.08Å; R147-D156 VanDerWaalsContact CD-OD2 3.29Å; R147-D156 WeakPolarHBondContact CD-OD2 3.45Å; R147-D156 IonicContact NE-OD2 3.15Å; R147-S158 PolarHBondContact N-O 2.88Å
148	S	89.1	Confident	92.8	Very high	124 Å²	124	62.7 Å²	62.7	87%	0.867	36%	0.356	S	S	*	.	S	Bend	trans	-79.7	-26.2	-174.6	59.8	0	0	0	0	113.9
149	S	89.1	Confident	93.7	Very high	76 Å²	76	55.4 Å²	55.4	53%	0.531	33%	0.325	S	S	.	.	S	Bend	trans	-130.5	128.3	175.3	-59.3	0	0	0	0	108.3	R147	R147-S149 VanDerWaalsContact CD-O 3.23Å; R147-S149 WeakPolarHBondContact CD-O 3.36Å; R147-S149 VanDerWaalsContact CG-O 3.29Å; R147-S149 WeakPolarHBondContact CG-O 3.49Å; R147-S149 PolarHBondContact NE-O 3.08Å
150	P	90.2	Very high	94.7	Very high	106 Å²	106	48.4 Å²	48.4	69%	0.688	30%	0.295	S	S	*	.			trans	-52.2	153.1	178.9	-27	35	0	0	0	112.8	D156	P150-D156 WeakPolarHBondContact CA-OD2 3.4Å; P150-D156 HydrophobicContact CB-CB 4.42Å
151	S	92.6	Very high	95.2	Very high	13 Å²	13	52.2 Å²	52.2	9%	0.091	30%	0.299	C	S	.	.			trans	-69.4	177.8	166.5	76.9	0	0	0	0	111.6	L153 D156	S151-L153 PolarHBondContact O-N 3.01Å; S151-L153 WeakPolarHBondContact OG-CB 3.29Å; S151-L153 PolarHBondContact OG-N 2.9Å; S151-D156 VanDerWaalsContact CB-OD1 3.23Å; S151-D156 WeakPolarHBondContact CB-OD1 3.34Å; S151-D156 PolarHBondContact N-OD2 3.24Å; S151-D156 VanDerWaalsContact OG-CG 3.24Å; S151-D156 PolarHBondContact OG-OD1 3.5Å
152	Y	93.3	Very high	95.4	Very high	49 Å²	49	48 Å²	48	19%	0.192	28%	0.279	C	S	.	.	S	Bend	trans	-73.2	-3.8	173.4	62.2	-102.1	0	0	0	113.5	D93 R104 Y122 L235	D93-Y152 VanDerWaalsContact OD1-CE2 3.3Å; D93-Y152 WeakPolarHBondContact OD1-CE2 3.33Å; R104-Y152 HydrophobicContact CG-CD1 4.27Å; R104-Y152 HydrophobicContact CG-CG 4.27Å; Y122-Y152 HydrophobicContact CE1-CE1 4.36Å; Y122-Y152 PolarHBondContact OH-OH 3.01Å; Y152-L235 HydrophobicContact CE1-CD1 4.14Å
153	L	94.8	Very high	95.4	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	28%	0.281	C	S	.	.	S	Bend	trans	-85.2	145.3	-176	-62.8	164.3	0	0	0	111.6	S151 L235 A237 Y240	S151-L153 PolarHBondContact O-N 3.01Å; S151-L153 WeakPolarHBondContact OG-CB 3.29Å; S151-L153 PolarHBondContact OG-N 2.9Å; L153-L235 HydrophobicContact CD1-CB 3.82Å; L153-L235 HydrophobicContact CD1-CD1 3.98Å; L153-L235 HydrophobicContact CD1-CG 4.43Å; L153-A237 HydrophobicContact CB-CB 3.88Å; L153-A237 HydrophobicContact CD1-CB 4.12Å; L153-Y240 HydrophobicContact CD1-CD1 3.33Å; L153-Y240 HydrophobicContact CD1-CE1 3.95Å; L153-Y240 HydrophobicContact CD1-CG 3.9Å; L153-Y240 HydrophobicContact CD2-CD1 3.94Å; L153-Y240 HydrophobicContact CD2-CD2 4.2Å; L153-Y240 HydrophobicContact CD2-CE1 4.33Å; L153-Y240 HydrophobicContact CD2-CG 3.86Å; L153-Y240 HydrophobicContact CG-CD1 4.29Å
154	P	94.2	Very high	95.2	Very high	76 Å²	76	49 Å²	49	49%	0.494	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	140.8	171.8	29.6	-34	0	0	0	110.5	D156 P537	P154-D156 VanDerWaalsContact C-N 3.34Å; P154-D156 PolarHBondContact O-N 2.96Å; P154-P537 HydrophobicContact CG-CB 3.69Å; P154-P537 HydrophobicContact CG-CG 4.07Å
155	K	95.9	Very high	94.9	Very high	93 Å²	93	45.6 Å²	45.6	40%	0.404	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	42.4	179.5	-50	173	-175.5	168.6	0	113.7	A237 D238 E532	K155-A237 WeakPolarHBondContact O-CA 3.35Å; K155-D238 HydrophobicContact CB-CB 3.63Å; K155-D238 HydrophobicContact CD-CB 3.68Å; K155-D238 VanDerWaalsContact CD-OD2 3.29Å; K155-D238 WeakPolarHBondContact CD-OD2 3.38Å; K155-D238 HydrophobicContact CG-CB 4.36Å; K155-D238 IonicContact NZ-OD2 3.39Å; K155-D238 PolarHBondContact NZ-OD2 3.42Å; K155-D238 PolarHBondContact O-N 3.36Å; K155-E532 IonicContact NZ-OE1 3.14Å; K155-E532 PolarHBondContact NZ-OE1 2.87Å; K155-E532 IonicContact NZ-OE2 3.89Å; K155-E532 PolarHBondContact NZ-OE2 2.71Å
156	D	95.4	Very high	94.4	Very high	27 Å²	27	47 Å²	47	14%	0.144	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-58.8	135.3	169.4	-169.2	73	0	0	0	111.3	R147 P150 S151 P154	R147-D156 VanDerWaalsContact CD-OD2 3.29Å; R147-D156 WeakPolarHBondContact CD-OD2 3.45Å; R147-D156 IonicContact NE-OD2 3.15Å; P150-D156 WeakPolarHBondContact CA-OD2 3.4Å; P150-D156 HydrophobicContact CB-CB 4.42Å; S151-D156 VanDerWaalsContact CB-OD1 3.23Å; S151-D156 WeakPolarHBondContact CB-OD1 3.34Å; S151-D156 PolarHBondContact N-OD2 3.24Å; S151-D156 VanDerWaalsContact OG-CG 3.24Å; S151-D156 PolarHBondContact OG-OD1 3.5Å; P154-D156 VanDerWaalsContact C-N 3.34Å; P154-D156 PolarHBondContact O-N 2.96Å
157	I	97.4	Very high	93.8	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.097	26%	0.263	C	S	.	.			trans	-99.4	94.4	-173.1	-63.5	176.2	0	0	0	109.1	Y129 T159 L160 D178 F236	Y129-I157 WeakPolarHBondContact CE1-O 3.46Å; Y129-I157 PolarHBondContact OH-O 2.99Å; I157-T159 WeakPolarHBondContact CG2-O 3.49Å; I157-T159 PolarHBondContact O-N 2.98Å; I157-L160 HydrophobicContact CB-CD2 4.27Å; I157-L160 HydrophobicContact CG2-CD2 3.74Å; I157-D178 HydrophobicContact CD1-CB 4.35Å; I157-D178 HydrophobicContact CG2-CB 4.09Å; I157-F236 HydrophobicContact CB-CD1 4.23Å; I157-F236 HydrophobicContact CD1-CD1 3.91Å; I157-F236 HydrophobicContact CD1-CE1 3.92Å; I157-F236 HydrophobicContact CG1-CD1 4.48Å; I157-F236 PolarHBondContact N-O 3.2Å
158	S	96.3	Very high	93.5	Very high	64 Å²	64	47.3 Å²	47.3	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	-62.6	-11.8	-169.3	66.7	0	0	0	0	116.2	T146 R147	T146-S158 CarbonylContact C-O 3.44Å; T146-S158 WeakPolarHBondContact CA-O 3.49Å; R147-S158 PolarHBondContact N-O 2.88Å
159	T	98.1	Very high	93.4	Very high	51 Å²	51	42.3 Å²	42.3	31%	0.313	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	124.9	-178.9	-56.9	0	0	0	0	110.1	T144 L145 T146 I157 P179	T144-T159 HydrophobicContact CG2-CG2 3.7Å; L145-T159 CarbonylContact O-C 3.51Å; L145-T159 WeakPolarHBondContact O-CA 3.29Å; T146-T159 HydrophobicContact CG2-CG2 4.33Å; I157-T159 WeakPolarHBondContact CG2-O 3.49Å; I157-T159 PolarHBondContact O-N 2.98Å; T159-P179 HydrophobicContact CG2-CG 4.08Å; T159-P179 WeakPolarHBondContact O-CD 3.48Å
160	L	98.3	Very high	93.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.9	175	-53.9	171.3	0	0	0	110.7	Y129 L145 I157 K177 L234 F236	Y129-L160 HydrophobicContact CD1-CD1 4.21Å; Y129-L160 HydrophobicContact CD1-CG 4.38Å; Y129-L160 HydrophobicContact CE1-CD1 3.73Å; Y129-L160 HydrophobicContact CE1-CG 3.76Å; Y129-L160 HydrophobicContact CE2-CD1 4.13Å; L145-L160 HydrophobicContact CB-CB 4.19Å; L145-L160 HydrophobicContact CD1-CB 4.47Å; L145-L160 PolarHBondContact N-O 2.75Å; L145-L160 PolarHBondContact O-N 2.89Å; I157-L160 HydrophobicContact CB-CD2 4.27Å; I157-L160 HydrophobicContact CG2-CD2 3.74Å; L160-K177 CarbonylContact C-O 3.58Å; L160-K177 VanDerWaalsContact CA-O 3.3Å; L160-K177 WeakPolarHBondContact CA-O 3.44Å; L160-L234 HydrophobicContact CD1-CD2 4.08Å; L160-F236 HydrophobicContact CD1-CB 3.77Å; L160-F236 HydrophobicContact CD1-CD2 3.8Å; L160-F236 HydrophobicContact CD1-CG 3.79Å; L160-F236 HydrophobicContact CD2-CB 4.24Å; L160-F236 HydrophobicContact CD2-CD1 3.57Å; L160-F236 HydrophobicContact CD2-CD2 4.08Å; L160-F236 HydrophobicContact CD2-CE1 3.86Å; L160-F236 HydrophobicContact CD2-CE2 4.33Å; L160-F236 HydrophobicContact CD2-CG 3.71Å; L160-F236 HydrophobicContact CD2-CZ 4.23Å; L160-F236 HydrophobicContact CG-CG 4.39Å
161	R	97.9	Very high	93.7	Very high	111 Å²	111	34.8 Å²	34.8	42%	0.419	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.1	161.8	-176.4	180	-62.9	171.4	3.8	108.8	T142 E163 L176 K177 P179	T142-R161 WeakPolarHBondContact OG1-CG 3.44Å; R161-E163 WeakPolarHBondContact CD-OE1 3.5Å; R161-E163 HydrophobicContact CG-CG 3.98Å; R161-E163 IonicContact NH1-OE1 2.67Å; R161-L176 WeakPolarHBondContact O-CA 3.27Å; R161-K177 PolarHBondContact N-O 3.1Å; R161-K177 PolarHBondContact O-N 3.09Å; R161-P179 HydrophobicContact CB-CB 4.28Å
162	L	97.9	Very high	93.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.6	163.3	170.4	64.4	0	0	0	108.4	M131 T142 A143 L145 V164 V174 V175 L176 F208 F213	M131-L162 HydrophobicContact CE-CD2 3.9Å; M131-L162 HydrophobicContact SD-CD2 4.26Å; T142-L162 CarbonylContact C-O 3.53Å; T142-L162 WeakPolarHBondContact CA-O 3.4Å; T142-L162 WeakPolarHBondContact CB-O 3.37Å; T142-L162 PolarHBondContact OG1-O 3.03Å; A143-L162 HydrophobicContact CB-CB 4.44Å; A143-L162 HydrophobicContact CB-CD2 4.33Å; A143-L162 PolarHBondContact N-O 2.72Å; A143-L162 PolarHBondContact O-N 3.32Å; L145-L162 HydrophobicContact CD1-CB 4.29Å; L145-L162 HydrophobicContact CD2-CB 4.32Å; L145-L162 HydrophobicContact CD2-CD2 4.47Å; L145-L162 HydrophobicContact CG-CB 4.13Å; L162-V164 HydrophobicContact CD1-CG2 4.01Å; L162-V164 HydrophobicContact CD2-CG2 3.89Å; L162-V164 HydrophobicContact CG-CG2 3.74Å; L162-V174 HydrophobicContact CD1-CG1 3.64Å; L162-V175 CarbonylContact C-O 3.47Å; L162-V175 WeakPolarHBondContact CA-O 3.32Å; L162-L176 HydrophobicContact CB-CD2 4Å; L162-L176 HydrophobicContact CD1-CD2 3.78Å; L162-L176 HydrophobicContact CD1-CG 4.49Å; L162-L176 HydrophobicContact CG-CD2 4.48Å; L162-F208 HydrophobicContact CD2-CE1 4.03Å; L162-F213 HydrophobicContact CD1-CZ 4.35Å; L162-F213 HydrophobicContact CD2-CE2 3.84Å; L162-F213 HydrophobicContact CD2-CZ 3.83Å
163	E	96.6	Very high	93.8	Very high	39 Å²	39	32.4 Å²	32.4	18%	0.182	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131	166.1	-50.7	-175.3	167.2	0	0	108.2	R161 V175	R161-E163 WeakPolarHBondContact CD-OE1 3.5Å; R161-E163 HydrophobicContact CG-CG 3.98Å; R161-E163 IonicContact NH1-OE1 2.67Å; E163-V175 HydrophobicContact CB-CB 4.2Å; E163-V175 PolarHBondContact N-O 3.07Å; E163-V175 PolarHBondContact O-N 2.84Å
164	V	94.3	Very high	93.9	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	100.8	-174.6	-178.4	0	0	0	0	106.1	L134 Q141 L162 F172 I206 F208	L134-V164 HydrophobicContact CD2-CG2 4.06Å; Q141-V164 HydrophobicContact CB-CB 4.25Å; Q141-V164 PolarHBondContact N-O 2.99Å; Q141-V164 PolarHBondContact O-N 3.29Å; L162-V164 HydrophobicContact CD1-CG2 4.01Å; L162-V164 HydrophobicContact CD2-CG2 3.89Å; L162-V164 HydrophobicContact CG-CG2 3.74Å; V164-F172 HydrophobicContact CG1-CE2 3.65Å; V164-F172 HydrophobicContact CG1-CZ 4.03Å; V164-I206 HydrophobicContact CG1-CD1 4.48Å; V164-F208 HydrophobicContact CG1-CZ 4.12Å; V164-F208 HydrophobicContact CG2-CE1 4.35Å; V164-F208 HydrophobicContact CG2-CZ 3.83Å
165	I	92.3	Very high	94	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.5	-172	-59.6	170.5	0	0	0	107.7	K139 E167 F172 H173 V175	K139-I165 HydrophobicContact CB-CD1 4.15Å; K139-I165 HydrophobicContact CB-CG1 3.98Å; K139-I165 HydrophobicContact CB-CG2 4.47Å; K139-I165 HydrophobicContact CD-CD1 3.95Å; I165-E167 HydrophobicContact CG2-CG 4.01Å; I165-F172 WeakPolarHBondContact O-CD2 3.26Å; I165-H173 HydrophobicContact CB-CB 4.01Å; I165-H173 HydrophobicContact CG2-CB 4.33Å; I165-H173 PolarHBondContact N-O 2.89Å; I165-H173 PolarHBondContact O-N 2.78Å; I165-V175 HydrophobicContact CD1-CG2 4.43Å
166	A	86.9	Confident	94.1	Very high	29 Å²	29	23.9 Å²	23.9	24%	0.24	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113	165.1	0	0	0	0	0	105.6	Y198 Y204	A166-Y198 HydrophobicContact CB-CE1 4.07Å; A166-Y198 HydrophobicContact CB-CE2 4.24Å; A166-Y198 WeakPolarHBondContact CB-OH 3.43Å; A166-Y198 WeakPolarHBondContact O-CE2 3.19Å; A166-Y198 PolarHBondContact O-OH 3.48Å; A166-Y204 WeakPolarHBondContact CA-OH 3.24Å; A166-Y204 VanDerWaalsContact CB-OH 3.23Å; A166-Y204 WeakPolarHBondContact CB-OH 3.24Å
167	E	85.6	Confident	94.2	Very high	38 Å²	38	24.6 Å²	24.6	18%	0.178	14%	0.136	C	C	.	.			trans	-86.4	-42	-177.7	-69.1	-71.8	-179.2	0	0	110.5	I165 C171 H173 Y335	I165-E167 HydrophobicContact CG2-CG 4.01Å; E167-C171 HydrophobicContact CB-CB 4.03Å; E167-C171 PolarHBondContact N-O 2.63Å; E167-H173 HydrophobicContact CG-CB 3.64Å; E167-H173 IonicContact OE1-CE1 3.63Å; E167-H173 IonicContact OE1-CG 2.72Å; E167-H173 IonicContact OE1-ND1 3.7Å; E167-H173 PolarHBondContact OE1-ND1 2.97Å; E167-Y335 HydrophobicContact CG-CE1 4.24Å
168	T	86.4	Confident	94.2	Very high	48 Å²	48	24.7 Å²	24.7	29%	0.294	14%	0.137	S	C	.	.	S	Bend	trans	-146	179.2	174.3	76.3	0	0	0	0	110.1	S170 C171 Y204	T168-S170 PolarHBondContact O-N 3.25Å; T168-S170 PolarHBondContact OG1-N 2.68Å; T168-S170 VanDerWaalsContact OG1-N 3.11Å; T168-C171 HydrophobicContact CG2-CB 4.37Å; T168-C171 PolarHBondContact N-O 2.76Å; T168-C171 VanDerWaalsContact O-O 3.13Å; T168-C171 WeakPolarHBondContact OG1-CB 3.29Å; T168-C171 PolarHBondContact OG1-N 3.19Å; T168-Y204 PolarHBondContact O-OH 2.91Å
169	A	88.1	Confident	94.2	Very high	19 Å²	19	24.6 Å²	24.6	16%	0.157	14%	0.135	C	C	.	.	S	Bend	trans	-59.1	-23.6	171.3	0	0	0	0	0	113.5	Q200 L203	A169-Q200 HydrophobicContact CB-CB 4.39Å; A169-L203 WeakPolarHBondContact O-CB 3.39Å; A169-L203 WeakPolarHBondContact O-CG 3.4Å; A169-L203 PolarHBondContact O-N 2.98Å
170	S	91	Very high	94	Very high	19 Å²	19	27.2 Å²	27.2	13%	0.133	16%	0.155	C	C	.	.	S	Bend	trans	-121.9	5.3	-176.4	66.3	0	0	0	0	114.7	T168 L338 Q348	T168-S170 PolarHBondContact O-N 3.25Å; T168-S170 PolarHBondContact OG1-N 2.68Å; T168-S170 VanDerWaalsContact OG1-N 3.11Å; S170-L338 WeakPolarHBondContact O-CB 3.03Å; S170-L338 PolarHBondContact O-N 3.45Å; S170-Q348 PolarHBondContact OG-NE2 3.03Å
171	C	93.8	Very high	93.8	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	175.1	-173.7	0	0	0	0	109.7	E167 T168 Y204 I336 F337	E167-C171 HydrophobicContact CB-CB 4.03Å; E167-C171 PolarHBondContact N-O 2.63Å; T168-C171 HydrophobicContact CG2-CB 4.37Å; T168-C171 PolarHBondContact N-O 2.76Å; T168-C171 VanDerWaalsContact O-O 3.13Å; T168-C171 WeakPolarHBondContact OG1-CB 3.29Å; T168-C171 PolarHBondContact OG1-N 3.19Å; C171-Y204 PolarHBondContact O-OH 2.76Å; C171-Y204 VanDerWaalsContact O-OH 3.06Å; C171-I336 WeakPolarHBondContact CA-O 3.39Å; C171-F337 HydrophobicContact CB-CD1 4.43Å
172	F	93.4	Very high	93.7	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.7	173.8	175.7	-134.1	0	0	0	109.1	V164 I165 V174 Y204 I206 V217 Y335 I336	V164-F172 HydrophobicContact CG1-CE2 3.65Å; V164-F172 HydrophobicContact CG1-CZ 4.03Å; I165-F172 WeakPolarHBondContact O-CD2 3.26Å; F172-V174 HydrophobicContact CD1-CG2 4.15Å; F172-V174 HydrophobicContact CE1-CG2 3.31Å; F172-V174 HydrophobicContact CE2-CG2 3.79Å; F172-V174 HydrophobicContact CZ-CG2 3.09Å; F172-Y204 HydrophobicContact CB-CD1 4.37Å; F172-Y204 HydrophobicContact CB-CD2 4.23Å; F172-Y204 HydrophobicContact CB-CE1 3.95Å; F172-Y204 HydrophobicContact CB-CE2 3.81Å; F172-Y204 HydrophobicContact CB-CG 4.49Å; F172-Y204 AromaticContact CD2-CE2 3.92Å; F172-Y204 HydrophobicContact CD2-CE2 3.92Å; F172-Y204 HydrophobicContact CG-CD2 4.37Å; F172-Y204 AromaticContact CG-CE2 3.96Å; F172-Y204 HydrophobicContact CG-CE2 3.96Å; F172-I206 HydrophobicContact CD1-CD1 4.2Å; F172-I206 HydrophobicContact CD1-CG1 4.23Å; F172-I206 HydrophobicContact CD2-CD1 3.7Å; F172-I206 HydrophobicContact CE1-CD1 3.8Å; F172-I206 HydrophobicContact CE1-CG1 3.8Å; F172-I206 HydrophobicContact CE1-CG2 4.44Å; F172-I206 HydrophobicContact CE2-CD1 3.29Å; F172-I206 HydrophobicContact CE2-CG1 4.23Å; F172-I206 HydrophobicContact CG-CD1 4.16Å; F172-I206 HydrophobicContact CZ-CD1 3.31Å; F172-I206 HydrophobicContact CZ-CG1 3.8Å; F172-I206 HydrophobicContact CZ-CG2 4.27Å; F172-V217 HydrophobicContact CD1-CG1 4.45Å; F172-V217 HydrophobicContact CD1-CG2 3.82Å; F172-V217 HydrophobicContact CE1-CG2 3.76Å; F172-Y335 CarbonylContact O-C 3.57Å; F172-Y335 WeakPolarHBondContact O-CA 3.43Å; F172-I336 HydrophobicContact CB-CB 4.31Å; F172-I336 HydrophobicContact CD1-CB 4.47Å; F172-I336 HydrophobicContact CD1-CD1 3.87Å; F172-I336 HydrophobicContact CD1-CG1 4.42Å; F172-I336 HydrophobicContact CE1-CD1 4.4Å; F172-I336 PolarHBondContact N-O 3.35Å; F172-I336 PolarHBondContact O-N 3.44Å
173	H	94.9	Very high	93.7	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.046	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.7	-173.3	175.1	-163.6	0	0	0	109.8	I165 E167 V175 D333 L334 Y335	I165-H173 HydrophobicContact CB-CB 4.01Å; I165-H173 HydrophobicContact CG2-CB 4.33Å; I165-H173 PolarHBondContact N-O 2.89Å; I165-H173 PolarHBondContact O-N 2.78Å; E167-H173 HydrophobicContact CG-CB 3.64Å; E167-H173 IonicContact OE1-CE1 3.63Å; E167-H173 IonicContact OE1-CG 2.72Å; E167-H173 IonicContact OE1-ND1 3.7Å; E167-H173 PolarHBondContact OE1-ND1 2.97Å; H173-V175 WeakPolarHBondContact NE2-CG2 3.25Å; H173-D333 IonicContact CD2-OD1 3.2Å; H173-D333 IonicContact NE2-OD1 2.69Å; H173-D333 PolarHBondContact NE2-OD1 3.46Å; H173-D333 IonicContact NE2-OD2 3.37Å; H173-L334 CarbonylContact C-O 3.46Å; H173-L334 VanDerWaalsContact CA-O 3.32Å; H173-L334 WeakPolarHBondContact CA-O 3.25Å; H173-Y335 HydrophobicContact CB-CD1 4.07Å; H173-Y335 HydrophobicContact CB-CE1 4.14Å; H173-Y335 AromaticContact CD2-CZ 3.96Å; H173-Y335 AromaticContact CE1-CE1 3.92Å; H173-Y335 AromaticContact CE1-CZ 3.55Å; H173-Y335 PolarHBondContact CE1-OH 2.88Å; H173-Y335 VanDerWaalsContact CE1-OH 3.3Å; H173-Y335 AromaticContact CG-CE1 3.71Å; H173-Y335 AromaticContact ND1-CE1 3.61Å; H173-Y335 AromaticContact ND1-CZ 3.74Å; H173-Y335 AromaticContact NE2-CE2 3.9Å; H173-Y335 AromaticContact NE2-CZ 3.72Å
174	V	96.1	Very high	93.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.6	-178.3	177.7	0	0	0	0	109.8	L162 F172 F215 L334	L162-V174 HydrophobicContact CD1-CG1 3.64Å; F172-V174 HydrophobicContact CD1-CG2 4.15Å; F172-V174 HydrophobicContact CE1-CG2 3.31Å; F172-V174 HydrophobicContact CE2-CG2 3.79Å; F172-V174 HydrophobicContact CZ-CG2 3.09Å; V174-F215 HydrophobicContact CG1-CE1 4.22Å; V174-F215 HydrophobicContact CG1-CZ 4.32Å; V174-F215 HydrophobicContact CG2-CE2 4.37Å; V174-F215 HydrophobicContact CG2-CZ 4.36Å; V174-L334 PolarHBondContact N-O 2.98Å; V174-L334 PolarHBondContact O-N 3.23Å
175	V	97.6	Very high	94	Very high	3 Å²	3	38 Å²	38	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.6	-179.8	-172.8	0	0	0	0	109.9	L162 E163 I165 H173 K177 I331 L332	L162-V175 CarbonylContact C-O 3.47Å; L162-V175 WeakPolarHBondContact CA-O 3.32Å; E163-V175 HydrophobicContact CB-CB 4.2Å; E163-V175 PolarHBondContact N-O 3.07Å; E163-V175 PolarHBondContact O-N 2.84Å; I165-V175 HydrophobicContact CD1-CG2 4.43Å; H173-V175 WeakPolarHBondContact NE2-CG2 3.25Å; V175-K177 HydrophobicContact CG1-CD 3.59Å; V175-K177 HydrophobicContact CG1-CG 3.8Å; V175-I331 HydrophobicContact CG1-CD1 4.18Å; V175-L332 WeakPolarHBondContact CA-O 3.26Å
176	L	98.2	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.4	173.3	-64.4	166.9	0	0	0	109.3	L145 R161 L162 F213 L234 F236 L332	L145-L176 HydrophobicContact CD1-CD2 3.49Å; L145-L176 VanDerWaalsContact CD1-CD2 3.49Å; R161-L176 WeakPolarHBondContact O-CA 3.27Å; L162-L176 HydrophobicContact CB-CD2 4Å; L162-L176 HydrophobicContact CD1-CD2 3.78Å; L162-L176 HydrophobicContact CD1-CG 4.49Å; L162-L176 HydrophobicContact CG-CD2 4.48Å; L176-F213 HydrophobicContact CD2-CE1 4.31Å; L176-L234 HydrophobicContact CD1-CD1 4.11Å; L176-L234 HydrophobicContact CD1-CD2 3.95Å; L176-F236 HydrophobicContact CB-CE2 4.13Å; L176-F236 WeakPolarHBondContact O-CE2 3.45Å; L176-L332 HydrophobicContact CB-CB 4.18Å; L176-L332 HydrophobicContact CD1-CB 4.27Å; L176-L332 HydrophobicContact CD1-CD1 3.91Å; L176-L332 PolarHBondContact N-O 2.68Å
177	K	96.5	Very high	94.4	Very high	42 Å²	42	40.5 Å²	40.5	18%	0.183	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.3	-174.3	-80.9	168.4	176.1	-173	0	111.9	L160 R161 V175 P179 E185 I331	L160-K177 CarbonylContact C-O 3.58Å; L160-K177 VanDerWaalsContact CA-O 3.3Å; L160-K177 WeakPolarHBondContact CA-O 3.44Å; R161-K177 PolarHBondContact N-O 3.1Å; R161-K177 PolarHBondContact O-N 3.09Å; V175-K177 HydrophobicContact CG1-CD 3.59Å; V175-K177 HydrophobicContact CG1-CG 3.8Å; K177-P179 WeakPolarHBondContact O-CD 3.02Å; K177-E185 WeakPolarHBondContact CE-OE1 3.34Å; K177-E185 VanDerWaalsContact CE-OE2 3.3Å; K177-E185 WeakPolarHBondContact CE-OE2 3.33Å; K177-E185 IonicContact NZ-OE1 3.63Å; K177-E185 PolarHBondContact NZ-OE1 2.75Å; K177-E185 IonicContact NZ-OE2 3.19Å; K177-E185 PolarHBondContact NZ-OE2 2.98Å; K177-I331 HydrophobicContact CD-CD1 4.37Å; K177-I331 HydrophobicContact CG-CB 4.49Å; K177-I331 HydrophobicContact CG-CD1 4.06Å; K177-I331 HydrophobicContact CG-CG2 4.11Å
178	D	97.5	Very high	94.2	Very high	22 Å²	22	41 Å²	41	12%	0.118	23%	0.232	C	C	.	.			trans	-73.4	119.8	162.2	-179	-9	0	0	0	108.6	I157 S180 S181 R183	I157-D178 HydrophobicContact CD1-CB 4.35Å; I157-D178 HydrophobicContact CG2-CB 4.09Å; D178-S180 VanDerWaalsContact C-N 3.3Å; D178-S180 WeakPolarHBondContact OD1-CA 3.17Å; D178-S180 WeakPolarHBondContact OD1-CB 3.33Å; D178-S180 PolarHBondContact OD1-N 3.14Å; D178-S180 PolarHBondContact OD1-OG 2.84Å; D178-S180 PolarHBondContact OD2-OG 2.99Å; D178-S181 PolarHBondContact OD1-N 3.11Å; D178-R183 HydrophobicContact CB-CG 4.08Å
179	P	95.9	Very high	93	Very high	62 Å²	62	41.7 Å²	41.7	40%	0.403	24%	0.237	S	C	.	.	S	Bend	trans	-82.1	-8.2	177.5	34.1	-33.9	0	0	0	113.2	T159 R161 K177	T159-P179 HydrophobicContact CG2-CG 4.08Å; T159-P179 WeakPolarHBondContact O-CD 3.48Å; R161-P179 HydrophobicContact CB-CB 4.28Å; K177-P179 WeakPolarHBondContact O-CD 3.02Å
180	S	95.1	Very high	91.2	Very high	105 Å²	105	45.7 Å²	45.7	73%	0.734	27%	0.27	S	S	*	.	S	Bend	trans	-97.9	-26.8	-177.1	75.6	0	0	0	0	113.5	D178	D178-S180 VanDerWaalsContact C-N 3.3Å; D178-S180 WeakPolarHBondContact OD1-CA 3.17Å; D178-S180 WeakPolarHBondContact OD1-CB 3.33Å; D178-S180 PolarHBondContact OD1-N 3.14Å; D178-S180 PolarHBondContact OD1-OG 2.84Å; D178-S180 PolarHBondContact OD2-OG 2.99Å
181	S	94.6	Very high	89.2	Confident	67 Å²	67	46 Å²	46	47%	0.469	28%	0.277	S	S	.	.	S	Bend	trans	-136.6	136.2	177	-172.9	0	0	0	0	111.4	D178 R183	D178-S181 PolarHBondContact OD1-N 3.11Å; S181-R183 PolarHBondContact O-N 3.05Å
182	Q	95.4	Very high	86.7	Confident	181 Å²	181	51.8 Å²	51.8	85%	0.846	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-69.8	116.6	171.2	-174.3	174.5	2.1	0	0	109.2
183	R	97.8	Very high	84.5	Confident	31 Å²	31	55.3 Å²	55.3	12%	0.117	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-92.7	168	175.8	-64.6	-173.4	59.6	74.1	4.8	110.6	D178 S181 D238 G330 I331	D178-R183 HydrophobicContact CB-CG 4.08Å; S181-R183 PolarHBondContact O-N 3.05Å; R183-D238 IonicContact CZ-OD1 3.26Å; R183-D238 IonicContact NH1-OD1 3.4Å; R183-D238 PolarHBondContact NH1-OD1 3.13Å; R183-D238 PolarHBondContact NH2-O 2.97Å; R183-D238 IonicContact NH2-OD1 3.83Å; R183-G330 PolarHBondContact NE-O 3.16Å; R183-G330 PolarHBondContact NH2-O 2.91Å; R183-G330 VanDerWaalsContact NH2-O 3.09Å; R183-I331 HydrophobicContact CB-CG2 3.82Å
184	Y	98.2	Very high	81.9	Confident	30 Å²	30	62.8 Å²	62.8	12%	0.118	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-65.3	135.4	173.2	170.7	-103.6	0	0	0	110.8	V186 S310 G330 N565 L566 L569	Y184-V186 HydrophobicContact CE1-CG2 4.15Å; Y184-S310 VanDerWaalsContact CE1-OG 3.31Å; Y184-S310 WeakPolarHBondContact CE1-OG 3.45Å; Y184-S310 PolarHBondContact OH-OG 3.46Å; Y184-G330 CarbonylContact O-C 3.55Å; Y184-G330 VanDerWaalsContact O-CA 3.3Å; Y184-G330 WeakPolarHBondContact O-CA 3.39Å; Y184-N565 HydrophobicContact CD1-CB 3.61Å; Y184-N565 HydrophobicContact CD2-CB 3.83Å; Y184-N565 HydrophobicContact CE1-CB 3.76Å; Y184-N565 WeakPolarHBondContact CE1-O 3.29Å; Y184-N565 HydrophobicContact CE2-CB 3.99Å; Y184-N565 HydrophobicContact CG-CB 3.64Å; Y184-N565 PolarHBondContact OH-O 2.88Å; Y184-L566 HydrophobicContact CE2-CD2 3.85Å; Y184-L569 WeakPolarHBondContact OH-CD1 3.43Å
185	E	97.9	Very high	79.2	Confident	78 Å²	78	68.1 Å²	68.1	36%	0.364	40%	0.4	S	S	.	.			trans	-130.3	142.6	175	-54.8	-171.1	-155.4	0	0	108.3	K177 I331	K177-E185 WeakPolarHBondContact CE-OE1 3.34Å; K177-E185 VanDerWaalsContact CE-OE2 3.3Å; K177-E185 WeakPolarHBondContact CE-OE2 3.33Å; K177-E185 IonicContact NZ-OE1 3.63Å; K177-E185 PolarHBondContact NZ-OE1 2.75Å; K177-E185 IonicContact NZ-OE2 3.19Å; K177-E185 PolarHBondContact NZ-OE2 2.98Å; E185-I331 HydrophobicContact CB-CD1 4.47Å; E185-I331 HydrophobicContact CG-CD1 3.8Å; E185-I331 HydrophobicContact CG-CG1 4.33Å
186	V	97.6	Very high	76.5	Confident	16 Å²	16	75.5 Å²	75.5	10%	0.097	43%	0.434	C	S	.	.			trans	-72	126.2	-178.2	-177.4	0	0	0	0	109.8	Y184 L188 L308 L569 F598	Y184-V186 HydrophobicContact CE1-CG2 4.15Å; V186-L188 PolarHBondContact O-N 2.65Å; V186-L308 HydrophobicContact CB-CD1 3.68Å; V186-L308 HydrophobicContact CB-CG 3.93Å; V186-L308 HydrophobicContact CG1-CD1 3.78Å; V186-L308 HydrophobicContact CG2-CD1 4.22Å; V186-L308 HydrophobicContact CG2-CG 4.34Å; V186-L569 HydrophobicContact CG1-CD1 4.18Å; V186-L569 HydrophobicContact CG1-CD2 4.21Å; V186-F598 HydrophobicContact CG1-CE1 4.04Å; V186-F598 HydrophobicContact CG1-CZ 4.43Å
187	P	91.5	Very high	73.8	Confident	71 Å²	71	79.8 Å²	79.8	46%	0.461	47%	0.47	S	S	.	.			trans	-76.5	90	179.3	31.5	-35.4	0	0	0	111.2	L560 L569	P187-L560 HydrophobicContact CG-CD1 4.08Å; P187-L569 HydrophobicContact CG-CD1 4.42Å
188	L	80.3	Confident	71.5	Confident	49 Å²	49	83.9 Å²	83.9	26%	0.257	49%	0.485	S	S	.	.			trans	-70.6	134	165.1	-72.2	-176.4	0	0	0	110.4	V186 A190 L308 V352	V186-L188 PolarHBondContact O-N 2.65Å; L188-A190 PolarHBondContact O-N 2.97Å; L188-L308 HydrophobicContact CD1-CD1 3.89Å; L188-L308 HydrophobicContact CD1-CD2 3.55Å; L188-L308 HydrophobicContact CD1-CG 4.36Å; L188-L308 HydrophobicContact CD2-CD1 3.82Å; L188-L308 HydrophobicContact CG-CD1 3.69Å; L188-L308 HydrophobicContact CG-CD2 3.83Å; L188-L308 HydrophobicContact CG-CG 4.43Å; L188-V352 HydrophobicContact CD1-CG1 4Å
189	P	62	Low	69.2	Low	62 Å²	62	89.4 Å²	89.4	40%	0.403	52%	0.52	S	S	.	.			trans	-60.9	127.4	167.4	-15.5	28.3	0	0	0	108.6	G191	P189-G191 PolarHBondContact O-N 2.85Å
190	A	49.9	Very low	67.4	Low	103 Å²	103	93.4 Å²	93.4	85%	0.851	53%	0.533	S	S	*	.			trans	-47.6	109.3	-174.8	0	0	0	0	0	111.7	L188	L188-A190 PolarHBondContact O-N 2.97Å
191	G	48.5	Very low	66.7	Low	27 Å²	27	94.7 Å²	94.7	28%	0.278	53%	0.532	S	S	.	.			trans	-63	148.9	172.3	0	0	0	0	0	109.7	P189 F193	P189-G191 PolarHBondContact O-N 2.85Å; G191-F193 PolarHBondContact O-N 3.45Å
192	S	41.4	Very low	66.4	Low	126 Å²	126	93.3 Å²	93.3	88%	0.881	52%	0.521	S	S	*	.			trans	-74.9	58.8	171.5	56.7	0	0	0	0	110.7	Q194	S192-Q194 PolarHBondContact O-N 2.88Å
193	F	48.1	Very low	66.3	Low	75 Å²	75	88.3 Å²	88.3	33%	0.329	50%	0.499	S	S	.	.			trans	-69.6	99.3	168.4	-67.4	-80.2	0	0	0	108	G191 T195 V352	G191-F193 PolarHBondContact O-N 3.45Å; F193-T195 HydrophobicContact CB-CG2 4.46Å; F193-T195 PolarHBondContact O-N 3.18Å; F193-V352 HydrophobicContact CE1-CG2 4.48Å; F193-V352 HydrophobicContact CZ-CB 4.27Å; F193-V352 HydrophobicContact CZ-CG1 4.3Å; F193-V352 HydrophobicContact CZ-CG2 4.06Å
194	Q	39.5	Very low	66.1	Low	167 Å²	167	87.2 Å²	87.2	78%	0.78	50%	0.495	S	S	*	.			trans	-70.1	90	155.5	-73	-173	-23.6	0	0	107.2	S192 E196	S192-Q194 PolarHBondContact O-N 2.88Å; Q194-E196 HydrophobicContact CB-CG 4.46Å; Q194-E196 PolarHBondContact O-N 2.85Å
195	T	40.3	Very low	66	Low	114 Å²	114	88.6 Å²	88.6	70%	0.699	51%	0.507	S	S	*	.			trans	-68.4	71.9	162.8	51.8	0	0	0	0	108.6	F193	F193-T195 HydrophobicContact CB-CG2 4.46Å; F193-T195 PolarHBondContact O-N 3.18Å
196	E	41.1	Very low	65.8	Low	157 Å²	157	87.2 Å²	87.2	73%	0.734	50%	0.501	S	S	*	.			trans	-65.6	138.2	165.8	-72	-158	146	0	0	109.1	Q194 Y198	Q194-E196 HydrophobicContact CB-CG 4.46Å; Q194-E196 PolarHBondContact O-N 2.85Å; E196-Y198 PolarHBondContact O-N 2.91Å
197	A	40.6	Very low	65.8	Low	91 Å²	91	90.2 Å²	90.2	75%	0.752	51%	0.514	S	S	*	.			trans	-62.2	133.1	-174	0	0	0	0	0	111.9	T199	A197-T199 PolarHBondContact O-N 2.84Å
198	Y	48.8	Very low	66	Low	128 Å²	128	89 Å²	89	50%	0.502	50%	0.502	S	S	.	.	S	Bend	trans	-45.4	116	-172.3	-100.4	-93	0	0	0	115.4	A166 E196 V202	A166-Y198 HydrophobicContact CB-CE1 4.07Å; A166-Y198 HydrophobicContact CB-CE2 4.24Å; A166-Y198 WeakPolarHBondContact CB-OH 3.43Å; A166-Y198 WeakPolarHBondContact O-CE2 3.19Å; A166-Y198 PolarHBondContact O-OH 3.48Å; E196-Y198 PolarHBondContact O-N 2.91Å; Y198-V202 HydrophobicContact CE1-CG1 4.19Å
199	T	49.1	Very low	66.8	Low	138 Å²	138	89.9 Å²	89.9	85%	0.847	51%	0.505	S	S	*	.			trans	-141.2	-0.5	169.2	50.2	0	0	0	0	115.4	A197	A197-T199 PolarHBondContact O-N 2.84Å
200	Q	57.9	Low	68.3	Low	146 Å²	146	91.5 Å²	91.5	68%	0.682	51%	0.507	S	S	*	.	S	Bend	trans	-104	145.6	-179.2	-69.5	-173.9	0.4	0	0	113.5	A169 V202	A169-Q200 HydrophobicContact CB-CB 4.39Å; Q200-V202 PolarHBondContact O-N 2.89Å
201	D	80.8	Confident	70.4	Confident	132 Å²	132	91.4 Å²	91.4	71%	0.706	49%	0.492	S	S	*	.			trans	-66	115.8	171.4	-106.2	-59.5	0	0	0	111	K220	D201-K220 IonicContact OD1-NZ 3.41Å; D201-K220 PolarHBondContact OD1-NZ 2.6Å
202	V	88.7	Confident	72.6	Confident	38 Å²	38	91 Å²	91	23%	0.23	49%	0.485	C	S	.	.			trans	-64.9	148.3	175	-64.3	0	0	0	0	112.2	Y198 Q200 Y204 K220	Y198-V202 HydrophobicContact CE1-CG1 4.19Å; Q200-V202 PolarHBondContact O-N 2.89Å; V202-Y204 VanDerWaalsContact C-N 3.32Å; V202-Y204 HydrophobicContact CB-CD1 4.29Å; V202-Y204 HydrophobicContact CB-CE1 4.07Å; V202-Y204 HydrophobicContact CB-CE2 4.32Å; V202-Y204 HydrophobicContact CG1-CE1 4.31Å; V202-Y204 HydrophobicContact CG1-CE2 4.49Å; V202-Y204 HydrophobicContact CG2-CE2 4.49Å; V202-Y204 WeakPolarHBondContact CG2-O 3.49Å; V202-K220 WeakPolarHBondContact O-CD 3.38Å; V202-K220 PolarHBondContact O-NZ 2.84Å
203	L	93	Very high	75.3	Confident	75 Å²	75	85.5 Å²	85.5	39%	0.393	45%	0.445	S	S	.	.	S	Bend	trans	-83.9	-3.5	-178.4	-60	-175.3	0	0	0	114.2	A169 K220 L338	A169-L203 WeakPolarHBondContact O-CB 3.39Å; A169-L203 WeakPolarHBondContact O-CG 3.4Å; A169-L203 PolarHBondContact O-N 2.98Å; L203-K220 WeakPolarHBondContact O-CB 3.42Å; L203-K220 PolarHBondContact O-N 3.06Å; L203-L338 HydrophobicContact CB-CB 4.42Å; L203-L338 HydrophobicContact CB-CG 4.43Å
204	Y	93.8	Very high	77.6	Confident	8 Å²	8	82 Å²	82	3%	0.031	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.1	-174.9	50.5	-92.5	0	0	0	112.2	A166 T168 C171 F172 V202 I206 R218 L338	A166-Y204 WeakPolarHBondContact CA-OH 3.24Å; A166-Y204 VanDerWaalsContact CB-OH 3.23Å; A166-Y204 WeakPolarHBondContact CB-OH 3.24Å; T168-Y204 PolarHBondContact O-OH 2.91Å; C171-Y204 PolarHBondContact O-OH 2.76Å; C171-Y204 VanDerWaalsContact O-OH 3.06Å; F172-Y204 HydrophobicContact CB-CD1 4.37Å; F172-Y204 HydrophobicContact CB-CD2 4.23Å; F172-Y204 HydrophobicContact CB-CE1 3.95Å; F172-Y204 HydrophobicContact CB-CE2 3.81Å; F172-Y204 HydrophobicContact CB-CG 4.49Å; F172-Y204 AromaticContact CD2-CE2 3.92Å; F172-Y204 HydrophobicContact CD2-CE2 3.92Å; F172-Y204 HydrophobicContact CG-CD2 4.37Å; F172-Y204 AromaticContact CG-CE2 3.96Å; F172-Y204 HydrophobicContact CG-CE2 3.96Å; V202-Y204 VanDerWaalsContact C-N 3.32Å; V202-Y204 HydrophobicContact CB-CD1 4.29Å; V202-Y204 HydrophobicContact CB-CE1 4.07Å; V202-Y204 HydrophobicContact CB-CE2 4.32Å; V202-Y204 HydrophobicContact CG1-CE1 4.31Å; V202-Y204 HydrophobicContact CG1-CE2 4.49Å; V202-Y204 HydrophobicContact CG2-CE2 4.49Å; V202-Y204 WeakPolarHBondContact CG2-O 3.49Å; Y204-I206 HydrophobicContact CD2-CD1 3.95Å; Y204-I206 HydrophobicContact CD2-CG1 4.08Å; Y204-I206 HydrophobicContact CE2-CD1 3.87Å; Y204-I206 HydrophobicContact CE2-CG1 4.49Å; Y204-R218 CarbonylContact C-O 3.56Å; Y204-R218 VanDerWaalsContact CA-O 3.23Å; Y204-R218 WeakPolarHBondContact CA-O 3.18Å; Y204-L338 HydrophobicContact CD1-CD2 3.61Å; Y204-L338 HydrophobicContact CD1-CG 3.88Å; Y204-L338 HydrophobicContact CE1-CD2 4.32Å; Y204-L338 HydrophobicContact CG-CD2 4.2Å; Y204-L338 HydrophobicContact CG-CG 4.47Å
205	T	95.1	Very high	80.4	Confident	59 Å²	59	74 Å²	74	36%	0.362	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.2	163.9	61.6	0	0	0	0	109.3	R218 K220	T205-R218 PolarHBondContact N-O 2.94Å; T205-R218 PolarHBondContact O-N 3.2Å; T205-K220 HydrophobicContact CG2-CB 4.36Å; T205-K220 HydrophobicContact CG2-CG 4.17Å
206	I	94.3	Very high	83.1	Confident	49 Å²	49	69.8 Å²	69.8	25%	0.251	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.2	-179	-54.4	146.3	0	0	0	108.2	V164 F172 Y204 F208 F215 I216	V164-I206 HydrophobicContact CG1-CD1 4.48Å; F172-I206 HydrophobicContact CD1-CD1 4.2Å; F172-I206 HydrophobicContact CD1-CG1 4.23Å; F172-I206 HydrophobicContact CD2-CD1 3.7Å; F172-I206 HydrophobicContact CE1-CD1 3.8Å; F172-I206 HydrophobicContact CE1-CG1 3.8Å; F172-I206 HydrophobicContact CE1-CG2 4.44Å; F172-I206 HydrophobicContact CE2-CD1 3.29Å; F172-I206 HydrophobicContact CE2-CG1 4.23Å; F172-I206 HydrophobicContact CG-CD1 4.16Å; F172-I206 HydrophobicContact CZ-CD1 3.31Å; F172-I206 HydrophobicContact CZ-CG1 3.8Å; F172-I206 HydrophobicContact CZ-CG2 4.27Å; Y204-I206 HydrophobicContact CD2-CD1 3.95Å; Y204-I206 HydrophobicContact CD2-CG1 4.08Å; Y204-I206 HydrophobicContact CE2-CD1 3.87Å; Y204-I206 HydrophobicContact CE2-CG1 4.49Å; I206-F208 HydrophobicContact CB-CE2 4.34Å; I206-F208 HydrophobicContact CG2-CD2 4.18Å; I206-F208 HydrophobicContact CG2-CE1 4.02Å; I206-F208 HydrophobicContact CG2-CE2 3.57Å; I206-F208 HydrophobicContact CG2-CZ 3.48Å; I206-F208 VanDerWaalsContact CG2-CZ 3.48Å; I206-F215 HydrophobicContact CG2-CB 4.47Å; I206-I216 WeakPolarHBondContact CA-O 3.34Å
207	E	96.5	Very high	85.9	Confident	79 Å²	79	62.3 Å²	62.3	37%	0.369	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.3	171.4	-67.6	152.9	-154.7	0	0	108.4	F215 I216 R218	E207-F215 CarbonylContact O-C 3.57Å; E207-F215 VanDerWaalsContact O-CA 3.27Å; E207-F215 WeakPolarHBondContact O-CA 3.43Å; E207-I216 HydrophobicContact CB-CB 4.22Å; E207-I216 HydrophobicContact CB-CD1 4.38Å; E207-I216 PolarHBondContact N-O 3.23Å; E207-I216 PolarHBondContact O-N 2.71Å; E207-R218 VanDerWaalsContact CD-NE 3.29Å; E207-R218 WeakPolarHBondContact OE1-CD 3.3Å; E207-R218 IonicContact OE1-CZ 3.23Å; E207-R218 IonicContact OE1-NE 3.9Å; E207-R218 PolarHBondContact OE1-NE 2.77Å; E207-R218 IonicContact OE1-NH2 3.74Å; E207-R218 IonicContact OE2-CZ 3.81Å; E207-R218 IonicContact OE2-NE 4Å; E207-R218 PolarHBondContact OE2-NE 3.05Å; E207-R218 IonicContact OE2-NH2 2.72Å; E207-R218 PolarHBondContact OE2-NH2 2.9Å
208	F	96.7	Very high	88.6	Confident	45 Å²	45	61 Å²	61	20%	0.197	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.5	177.8	-66.9	-79.3	0	0	0	110.4	M131 L134 L162 V164 I206 F213 F215	M131-F208 HydrophobicContact CE-CB 4.19Å; M131-F208 HydrophobicContact CE-CD1 3.92Å; M131-F208 HydrophobicContact CE-CD2 4.32Å; M131-F208 HydrophobicContact CE-CE1 4.37Å; M131-F208 HydrophobicContact CE-CG 3.88Å; M131-F208 HydrophobicContact SD-CB 3.88Å; M131-F208 HydrophobicContact SD-CD1 3.87Å; M131-F208 HydrophobicContact SD-CG 4.02Å; L134-F208 HydrophobicContact CD1-CD2 3.87Å; L134-F208 HydrophobicContact CD1-CE2 3.73Å; L162-F208 HydrophobicContact CD2-CE1 4.03Å; V164-F208 HydrophobicContact CG1-CZ 4.12Å; V164-F208 HydrophobicContact CG2-CE1 4.35Å; V164-F208 HydrophobicContact CG2-CZ 3.83Å; I206-F208 HydrophobicContact CB-CE2 4.34Å; I206-F208 HydrophobicContact CG2-CD2 4.18Å; I206-F208 HydrophobicContact CG2-CE1 4.02Å; I206-F208 HydrophobicContact CG2-CE2 3.57Å; I206-F208 HydrophobicContact CG2-CZ 3.48Å; I206-F208 VanDerWaalsContact CG2-CZ 3.48Å; F208-F213 HydrophobicContact CD1-CE2 4.01Å; F208-F215 HydrophobicContact CD1-CB 3.69Å; F208-F215 HydrophobicContact CE1-CB 3.76Å
209	Q	96.1	Very high	90.8	Very high	68 Å²	68	55.2 Å²	55.2	32%	0.318	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.7	163.9	-170.5	175.9	-74	0	0	107.6	P212 F213 G214 T230	Q209-P212 WeakPolarHBondContact CG-O 3.41Å; Q209-P212 PolarHBondContact NE2-O 2.82Å; Q209-F213 WeakPolarHBondContact O-CA 3.41Å; Q209-G214 PolarHBondContact N-O 2.85Å; Q209-G214 PolarHBondContact O-N 3.39Å; Q209-T230 HydrophobicContact CB-CG2 3.62Å; Q209-T230 HydrophobicContact CG-CG2 4.3Å
210	H	94.6	Very high	93	Very high	96 Å²	96	53.4 Å²	53.4	44%	0.444	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-35.4	-174.1	-81.9	-92.9	0	0	0	114	N130 M131	N130-H210 CarbonylContact C-O 3.57Å; N130-H210 WeakPolarHBondContact CA-O 3.45Å; M131-H210 PolarHBondContact N-O 2.85Å; M131-H210 PolarHBondContact O-ND1 2.84Å
211	D	93.8	Very high	94.8	Very high	102 Å²	102	51.1 Å²	51.1	55%	0.545	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	116.6	-175	-161.3	-12.2	0	0	0	111.1	N130	N130-D211 PolarHBondContact ND2-OD2 3.24Å
212	P	94.6	Very high	95.5	Very high	19 Å²	19	48 Å²	48	12%	0.123	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	cis	-62.4	150.7	-16	29.1	-34.6	0	0	0	110.7	Y129 Q209	Y129-P212 CarbonylContact O-C 3.57Å; Q209-P212 WeakPolarHBondContact CG-O 3.41Å; Q209-P212 PolarHBondContact NE2-O 2.82Å
213	F	97.2	Very high	95.8	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.8	-177.3	168.2	-105.5	0	0	0	112.2	Y129 M131 L145 L162 L176 F208 Q209 F215 L234	Y129-F213 VanDerWaalsContact O-CB 3.23Å; Y129-F213 WeakPolarHBondContact O-CB 3.3Å; Y129-F213 PolarHBondContact O-N 3.46Å; M131-F213 HydrophobicContact CB-CB 4.42Å; M131-F213 HydrophobicContact CB-CD2 3.75Å; M131-F213 HydrophobicContact CB-CG 4.43Å; M131-F213 HydrophobicContact CG-CD2 4.1Å; M131-F213 HydrophobicContact CG-CE2 4.4Å; M131-F213 HydrophobicContact SD-CD2 3.56Å; M131-F213 VanDerWaalsContact SD-CD2 3.56Å; M131-F213 HydrophobicContact SD-CE2 3.49Å; M131-F213 WeakPolarHBondContact SD-CE2 3.26Å; L145-F213 HydrophobicContact CD1-CD1 3.55Å; L145-F213 HydrophobicContact CD1-CE1 3.52Å; L145-F213 HydrophobicContact CD1-CE2 4.47Å; L145-F213 HydrophobicContact CD1-CG 4.06Å; L145-F213 HydrophobicContact CD1-CZ 4.01Å; L145-F213 HydrophobicContact CD2-CD1 4.26Å; L145-F213 HydrophobicContact CD2-CD2 3.79Å; L145-F213 HydrophobicContact CD2-CE1 4.46Å; L145-F213 HydrophobicContact CD2-CE2 3.99Å; L145-F213 HydrophobicContact CD2-CG 3.91Å; L145-F213 HydrophobicContact CD2-CZ 4.32Å; L162-F213 HydrophobicContact CD1-CZ 4.35Å; L162-F213 HydrophobicContact CD2-CE2 3.84Å; L162-F213 HydrophobicContact CD2-CZ 3.83Å; L176-F213 HydrophobicContact CD2-CE1 4.31Å; F208-F213 HydrophobicContact CD1-CE2 4.01Å; Q209-F213 WeakPolarHBondContact O-CA 3.41Å; F213-F215 HydrophobicContact CZ-CD1 4.1Å; F213-L234 HydrophobicContact CD1-CD2 3.81Å; F213-L234 HydrophobicContact CE1-CD2 4.04Å
214	G	97.4	Very high	96	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	172.2	164.2	0	0	0	0	0	110.2	Q209	Q209-G214 PolarHBondContact N-O 2.85Å; Q209-G214 PolarHBondContact O-N 3.39Å
215	F	97.6	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.4	179.3	65.9	-89.4	0	0	0	111.6	V174 I206 E207 F208 F213 V217 T229	V174-F215 HydrophobicContact CG1-CE1 4.22Å; V174-F215 HydrophobicContact CG1-CZ 4.32Å; V174-F215 HydrophobicContact CG2-CE2 4.37Å; V174-F215 HydrophobicContact CG2-CZ 4.36Å; I206-F215 HydrophobicContact CG2-CB 4.47Å; E207-F215 CarbonylContact O-C 3.57Å; E207-F215 VanDerWaalsContact O-CA 3.27Å; E207-F215 WeakPolarHBondContact O-CA 3.43Å; F208-F215 HydrophobicContact CD1-CB 3.69Å; F208-F215 HydrophobicContact CE1-CB 3.76Å; F213-F215 HydrophobicContact CZ-CD1 4.1Å; F215-V217 HydrophobicContact CD2-CG2 3.95Å; F215-V217 HydrophobicContact CE2-CG2 4.04Å; F215-T229 HydrophobicContact CD1-CG2 4.3Å; F215-T229 VanDerWaalsContact CD1-OG1 3.3Å; F215-T229 WeakPolarHBondContact CD1-OG1 3.17Å; F215-T229 HydrophobicContact CE1-CG2 3.85Å; F215-T229 HydrophobicContact CE2-CG2 4.16Å; F215-T229 HydrophobicContact CZ-CG2 3.77Å; F215-T229 PolarHBondContact N-OG1 3.43Å; F215-T229 PolarHBondContact O-N 2.92Å; F215-T229 PolarHBondContact O-OG1 3.09Å; F215-T229 VanDerWaalsContact O-OG1 3.06Å
216	I	98.4	Very high	96.3	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.9	179	-58.5	158.7	0	0	0	107.5	I206 E207 R218 V225 M227 N228	I206-I216 WeakPolarHBondContact CA-O 3.34Å; E207-I216 HydrophobicContact CB-CB 4.22Å; E207-I216 HydrophobicContact CB-CD1 4.38Å; E207-I216 PolarHBondContact N-O 3.23Å; E207-I216 PolarHBondContact O-N 2.71Å; I216-R218 HydrophobicContact CG2-CG 3.99Å; I216-V225 HydrophobicContact CG2-CG1 4.09Å; I216-V225 HydrophobicContact CG2-CG2 4.21Å; I216-M227 CarbonylContact C-O 3.58Å; I216-M227 WeakPolarHBondContact CA-O 3.2Å; I216-N228 HydrophobicContact CG1-CB 4.06Å; I216-N228 WeakPolarHBondContact CG1-OD1 3.17Å; I216-N228 HydrophobicContact CG2-CB 4.48Å
217	V	97.9	Very high	96.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.9	171.7	-173.8	0	0	0	0	108.1	F172 F215 L226 M227 I336	F172-V217 HydrophobicContact CD1-CG1 4.45Å; F172-V217 HydrophobicContact CD1-CG2 3.82Å; F172-V217 HydrophobicContact CE1-CG2 3.76Å; F215-V217 HydrophobicContact CD2-CG2 3.95Å; F215-V217 HydrophobicContact CE2-CG2 4.04Å; V217-L226 PolarHBondContact O-N 3.3Å; V217-M227 HydrophobicContact CB-CB 4.4Å; V217-M227 HydrophobicContact CG2-CB 4.49Å; V217-M227 PolarHBondContact N-O 2.87Å; V217-M227 PolarHBondContact O-N 2.84Å; V217-I336 HydrophobicContact CG1-CG2 4.46Å
218	R	97.7	Very high	96.5	Very high	65 Å²	65	41.8 Å²	41.8	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.9	174.2	-55.4	-176.6	-172.1	-87.6	-9.6	111.7	Y204 T205 E207 I216 K220 R224 V225	Y204-R218 CarbonylContact C-O 3.56Å; Y204-R218 VanDerWaalsContact CA-O 3.23Å; Y204-R218 WeakPolarHBondContact CA-O 3.18Å; T205-R218 PolarHBondContact N-O 2.94Å; T205-R218 PolarHBondContact O-N 3.2Å; E207-R218 VanDerWaalsContact CD-NE 3.29Å; E207-R218 WeakPolarHBondContact OE1-CD 3.3Å; E207-R218 IonicContact OE1-CZ 3.23Å; E207-R218 IonicContact OE1-NE 3.9Å; E207-R218 PolarHBondContact OE1-NE 2.77Å; E207-R218 IonicContact OE1-NH2 3.74Å; E207-R218 IonicContact OE2-CZ 3.81Å; E207-R218 IonicContact OE2-NE 4Å; E207-R218 PolarHBondContact OE2-NE 3.05Å; E207-R218 IonicContact OE2-NH2 2.72Å; E207-R218 PolarHBondContact OE2-NH2 2.9Å; I216-R218 HydrophobicContact CG2-CG 3.99Å; R218-K220 PolarHBondContact O-N 3.17Å; R218-R224 VanDerWaalsContact CA-O 3.25Å; R218-R224 WeakPolarHBondContact CA-O 3.43Å; R218-V225 HydrophobicContact CG-CG2 4.42Å
219	R	96.3	Very high	96.6	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.023	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120	166.4	-179.1	178	-62.8	-72.6	0.3	109.7	S221 N222 G223 R224 L226 E297 A302 L338	R219-S221 VanDerWaalsContact C-N 3.25Å; R219-S221 WeakPolarHBondContact CD-OG 3.43Å; R219-S221 WeakPolarHBondContact CG-OG 3.29Å; R219-S221 PolarHBondContact O-N 2.86Å; R219-N222 WeakPolarHBondContact CB-OD1 3.35Å; R219-N222 WeakPolarHBondContact CD-OD1 3.45Å; R219-G223 WeakPolarHBondContact O-CA 3.41Å; R219-G223 PolarHBondContact O-N 3.44Å; R219-R224 PolarHBondContact N-O 2.96Å; R219-L226 HydrophobicContact CB-CD1 4.15Å; R219-L226 HydrophobicContact CB-CD2 4.08Å; R219-L226 HydrophobicContact CB-CG 4.25Å; R219-E297 IonicContact CZ-OE1 3.66Å; R219-E297 IonicContact CZ-OE2 3.97Å; R219-E297 IonicContact NE-OE1 3.86Å; R219-E297 IonicContact NE-OE2 2.99Å; R219-E297 PolarHBondContact NE-OE2 3.35Å; R219-E297 IonicContact NH2-OE1 3.92Å; R219-E297 PolarHBondContact NH2-OE1 3.4Å; R219-E297 IonicContact NH2-OE2 3.75Å; R219-A302 PolarHBondContact NH2-O 3.02Å; R219-L338 PolarHBondContact NH1-O 3.28Å; R219-L338 PolarHBondContact NH2-O 3.36Å
220	K	95.3	Very high	96.6	Very high	99 Å²	99	38.2 Å²	38.2	43%	0.43	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26	-174.3	-170.8	179.8	178.3	-175.4	0	113.5	D201 V202 L203 T205 R218	D201-K220 IonicContact OD1-NZ 3.41Å; D201-K220 PolarHBondContact OD1-NZ 2.6Å; V202-K220 WeakPolarHBondContact O-CD 3.38Å; V202-K220 PolarHBondContact O-NZ 2.84Å; L203-K220 WeakPolarHBondContact O-CB 3.42Å; L203-K220 PolarHBondContact O-N 3.06Å; T205-K220 HydrophobicContact CG2-CB 4.36Å; T205-K220 HydrophobicContact CG2-CG 4.17Å; R218-K220 PolarHBondContact O-N 3.17Å
221	S	94.8	Very high	96.7	Very high	99 Å²	99	35.9 Å²	35.9	69%	0.692	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-31.7	-175.6	57.2	0	0	0	0	115.1	R219	R219-S221 VanDerWaalsContact C-N 3.25Å; R219-S221 WeakPolarHBondContact CD-OG 3.43Å; R219-S221 WeakPolarHBondContact CG-OG 3.29Å; R219-S221 PolarHBondContact O-N 2.86Å
222	N	95.2	Very high	96.8	Very high	67 Å²	67	31.6 Å²	31.6	36%	0.358	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-6.5	-177.3	67	3.5	0	0	0	113.7	R219 R224 D299	R219-N222 WeakPolarHBondContact CB-OD1 3.35Å; R219-N222 WeakPolarHBondContact CD-OD1 3.45Å; N222-R224 PolarHBondContact O-N 2.97Å; N222-R224 VanDerWaalsContact OD1-CB 3.27Å; N222-R224 WeakPolarHBondContact OD1-CB 3.45Å; N222-R224 PolarHBondContact OD1-N 2.93Å; N222-D299 PolarHBondContact ND2-OD2 2.75Å
223	G	95.6	Very high	96.8	Very high	41 Å²	41	31 Å²	31	42%	0.423	18%	0.175	S	C	.	.			trans	75.5	2.8	-178.9	0	0	0	0	0	115.2	R219 V225	R219-G223 WeakPolarHBondContact O-CA 3.41Å; R219-G223 PolarHBondContact O-N 3.44Å; G223-V225 PolarHBondContact O-N 3.23Å
224	R	96.7	Very high	96.8	Very high	62 Å²	62	30.9 Å²	30.9	23%	0.234	17%	0.174	C	C	.	.			trans	-61.3	131.9	-179.1	-174.7	177.5	-77.2	-100.8	2.4	109.9	R218 R219 N222 L226 A248 E298	R218-R224 VanDerWaalsContact CA-O 3.25Å; R218-R224 WeakPolarHBondContact CA-O 3.43Å; R219-R224 PolarHBondContact N-O 2.96Å; N222-R224 PolarHBondContact O-N 2.97Å; N222-R224 VanDerWaalsContact OD1-CB 3.27Å; N222-R224 WeakPolarHBondContact OD1-CB 3.45Å; N222-R224 PolarHBondContact OD1-N 2.93Å; R224-L226 HydrophobicContact CG-CD2 4.42Å; R224-L226 PolarHBondContact O-N 2.8Å; R224-A248 HydrophobicContact CG-CB 4.47Å; R224-A248 PolarHBondContact NH1-O 3.41Å; R224-E298 IonicContact CZ-OE2 2.92Å; R224-E298 VanDerWaalsContact CZ-OE2 3.28Å; R224-E298 IonicContact NH1-OE2 2.79Å; R224-E298 PolarHBondContact NH1-OE2 3.19Å; R224-E298 IonicContact NH2-OE2 2.77Å; R224-E298 PolarHBondContact NH2-OE2 3.01Å
225	V	97.9	Very high	96.8	Very high	43 Å²	43	30.9 Å²	30.9	26%	0.261	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.3	168.8	176.7	0	0	0	0	107.7	I216 R218 G223 M227 N228 A248	I216-V225 HydrophobicContact CG2-CG1 4.09Å; I216-V225 HydrophobicContact CG2-CG2 4.21Å; R218-V225 HydrophobicContact CG-CG2 4.42Å; G223-V225 PolarHBondContact O-N 3.23Å; V225-M227 WeakPolarHBondContact CG1-O 3.29Å; V225-N228 HydrophobicContact CG1-CB 3.9Å; V225-A248 WeakPolarHBondContact O-CB 3.15Å
226	L	97.7	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-47.6	175.8	-54.5	-172.8	0	0	0	110	V217 R219 R224 A248 E297 H303 L338	V217-L226 PolarHBondContact O-N 3.3Å; R219-L226 HydrophobicContact CB-CD1 4.15Å; R219-L226 HydrophobicContact CB-CD2 4.08Å; R219-L226 HydrophobicContact CB-CG 4.25Å; R224-L226 HydrophobicContact CG-CD2 4.42Å; R224-L226 PolarHBondContact O-N 2.8Å; L226-A248 HydrophobicContact CD2-CB 4.38Å; L226-E297 WeakPolarHBondContact CD2-OE1 3.45Å; L226-H303 HydrophobicContact CD1-CB 4.05Å; L226-H303 PolarHBondContact O-NE2 2.71Å; L226-L338 HydrophobicContact CD1-CD1 3.25Å
227	M	97.6	Very high	96.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.1	175	-63.8	179.4	79.8	0	0	109.3	I216 V217 V225 T245 V305 I336	I216-M227 CarbonylContact C-O 3.58Å; I216-M227 WeakPolarHBondContact CA-O 3.2Å; V217-M227 HydrophobicContact CB-CB 4.4Å; V217-M227 HydrophobicContact CG2-CB 4.49Å; V217-M227 PolarHBondContact N-O 2.87Å; V217-M227 PolarHBondContact O-N 2.84Å; V225-M227 WeakPolarHBondContact CG1-O 3.29Å; M227-T245 VanDerWaalsContact CA-OG1 3.32Å; M227-T245 WeakPolarHBondContact CA-OG1 3.44Å; M227-T245 WeakPolarHBondContact CB-OG1 3.36Å; M227-T245 HydrophobicContact CE-CG2 3.98Å; M227-V305 HydrophobicContact CE-CG1 3.93Å; M227-V305 HydrophobicContact CE-CG2 4.08Å; M227-V305 HydrophobicContact CG-CG2 4.24Å; M227-V305 HydrophobicContact SD-CG1 4.19Å; M227-V305 HydrophobicContact SD-CG2 3.49Å; M227-V305 WeakPolarHBondContact SD-CG2 3.19Å; M227-I336 HydrophobicContact SD-CG1 3.55Å; M227-I336 VanDerWaalsContact SD-CG1 3.55Å; M227-I336 HydrophobicContact SD-CG2 4.21Å
228	N	98.2	Very high	96.8	Very high	29 Å²	29	32.2 Å²	32.2	16%	0.155	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	111.3	166.4	172.6	21.2	0	0	0	108.8	I216 V225 T230 T245 S246	I216-N228 HydrophobicContact CG1-CB 4.06Å; I216-N228 WeakPolarHBondContact CG1-OD1 3.17Å; I216-N228 HydrophobicContact CG2-CB 4.48Å; V225-N228 HydrophobicContact CG1-CB 3.9Å; N228-T230 PolarHBondContact ND2-OG1 2.83Å; N228-T230 VanDerWaalsContact ND2-OG1 3.12Å; N228-T230 WeakPolarHBondContact OD1-CB 3.3Å; N228-T230 WeakPolarHBondContact OD1-CG2 3.25Å; N228-T230 PolarHBondContact OD1-N 3.09Å; N228-T230 PolarHBondContact OD1-OG1 2.84Å; N228-T245 PolarHBondContact N-OG1 2.61Å; N228-T245 VanDerWaalsContact O-CA 3.25Å; N228-T245 WeakPolarHBondContact O-CA 3.28Å; N228-T245 PolarHBondContact O-OG1 2.8Å; N228-S246 WeakPolarHBondContact CB-OG 3.15Å; N228-S246 PolarHBondContact O-N 2.86Å; N228-S246 VanDerWaalsContact O-N 3.08Å
229	T	98.1	Very high	96.8	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.031	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-88.5	-1.7	-179.4	61.4	0	0	0	0	114.3	F215 V231 L243 S244	F215-T229 HydrophobicContact CD1-CG2 4.3Å; F215-T229 VanDerWaalsContact CD1-OG1 3.3Å; F215-T229 WeakPolarHBondContact CD1-OG1 3.17Å; F215-T229 HydrophobicContact CE1-CG2 3.85Å; F215-T229 HydrophobicContact CE2-CG2 4.16Å; F215-T229 HydrophobicContact CZ-CG2 3.77Å; F215-T229 PolarHBondContact N-OG1 3.43Å; F215-T229 PolarHBondContact O-N 2.92Å; F215-T229 PolarHBondContact O-OG1 3.09Å; F215-T229 VanDerWaalsContact O-OG1 3.06Å; T229-V231 PolarHBondContact O-N 2.98Å; T229-V231 VanDerWaalsContact O-N 3.16Å; T229-L243 HydrophobicContact CG2-CD1 3.92Å; T229-L243 HydrophobicContact CG2-CD2 4.36Å; T229-L243 HydrophobicContact CG2-CG 4.17Å; T229-S244 VanDerWaalsContact CA-O 3.24Å; T229-S244 WeakPolarHBondContact CA-O 3.27Å; T229-S244 WeakPolarHBondContact CB-O 3.47Å; T229-S244 WeakPolarHBondContact CG2-O 3.42Å
230	T	96.9	Very high	96.9	Very high	34 Å²	34	29.6 Å²	29.6	21%	0.209	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-72.5	-1.9	175.6	74.7	0	0	0	0	114	Q209 N228 A232	Q209-T230 HydrophobicContact CB-CG2 3.62Å; Q209-T230 HydrophobicContact CG-CG2 4.3Å; N228-T230 PolarHBondContact ND2-OG1 2.83Å; N228-T230 VanDerWaalsContact ND2-OG1 3.12Å; N228-T230 WeakPolarHBondContact OD1-CB 3.3Å; N228-T230 WeakPolarHBondContact OD1-CG2 3.25Å; N228-T230 PolarHBondContact OD1-N 3.09Å; N228-T230 PolarHBondContact OD1-OG1 2.84Å; T230-A232 VanDerWaalsContact C-N 3.33Å; T230-A232 PolarHBondContact O-N 2.94Å
231	V	95.8	Very high	97.1	Very high	47 Å²	47	24.9 Å²	24.9	29%	0.285	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-73.2	-20.5	-176.2	-61.5	0	0	0	0	114.3	F88 T229	F88-V231 VanDerWaalsContact CD2-O 3.29Å; F88-V231 WeakPolarHBondContact CD2-O 3.33Å; F88-V231 HydrophobicContact CE1-CG2 3.98Å; F88-V231 HydrophobicContact CE2-CB 3.73Å; F88-V231 HydrophobicContact CE2-CG2 3.95Å; F88-V231 WeakPolarHBondContact CE2-O 3.33Å; F88-V231 HydrophobicContact CZ-CB 3.75Å; F88-V231 HydrophobicContact CZ-CG2 3.48Å; F88-V231 VanDerWaalsContact CZ-CG2 3.48Å; T229-V231 PolarHBondContact O-N 2.98Å; T229-V231 VanDerWaalsContact O-N 3.16Å
232	A	95.6	Very high	97.3	Very high	11 Å²	11	20.4 Å²	20.4	9%	0.091	12%	0.12	C	C	.	.	S	Bend	trans	-152.9	160.3	177.4	0	0	0	0	0	110	F88 T230 S244	F88-A232 HydrophobicContact CB-CB 3.83Å; F88-A232 HydrophobicContact CD1-CB 3.88Å; F88-A232 HydrophobicContact CD2-CB 4.17Å; F88-A232 HydrophobicContact CG-CB 3.69Å; T230-A232 VanDerWaalsContact C-N 3.33Å; T230-A232 PolarHBondContact O-N 2.94Å; A232-S244 WeakPolarHBondContact CB-OG 3.37Å
233	P	95.2	Very high	97.4	Very high	8 Å²	8	17.5 Å²	17.5	5%	0.052	10%	0.104	C	C	.	.			trans	-68.9	136.6	179.3	28.9	-35.9	0	0	0	112.4	Y122 Y126 L235	Y122-P233 HydrophobicContact CD1-CG 3.58Å; Y122-P233 HydrophobicContact CD2-CG 4.02Å; Y122-P233 HydrophobicContact CE1-CG 3.63Å; Y122-P233 HydrophobicContact CE2-CG 4.08Å; Y122-P233 HydrophobicContact CG-CG 3.78Å; Y126-P233 HydrophobicContact CD1-CB 3.84Å; Y126-P233 HydrophobicContact CD1-CG 3.66Å; Y126-P233 HydrophobicContact CE1-CG 4.39Å; Y126-P233 HydrophobicContact CG-CG 4.29Å; P233-L235 HydrophobicContact CB-CD2 4.42Å; P233-L235 PolarHBondContact O-N 2.83Å
234	L	97.5	Very high	97.6	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.031	8%	0.084	C	C	.	.			trans	-63.2	120.9	160.6	171.4	62.6	0	0	0	109.2	Y129 L145 L160 L176 F213 Q242 L243 L332	Y129-L234 HydrophobicContact CD2-CB 4.2Å; Y129-L234 HydrophobicContact CD2-CD2 3.82Å; Y129-L234 HydrophobicContact CD2-CG 3.9Å; Y129-L234 HydrophobicContact CE2-CD2 4.2Å; Y129-L234 HydrophobicContact CE2-CG 3.99Å; Y129-L234 WeakPolarHBondContact CE2-O 3.43Å; Y129-L234 HydrophobicContact CG-CD2 4.44Å; L145-L234 HydrophobicContact CD1-CD2 4.17Å; L160-L234 HydrophobicContact CD1-CD2 4.08Å; L176-L234 HydrophobicContact CD1-CD1 4.11Å; L176-L234 HydrophobicContact CD1-CD2 3.95Å; F213-L234 HydrophobicContact CD1-CD2 3.81Å; F213-L234 HydrophobicContact CE1-CD2 4.04Å; L234-Q242 WeakPolarHBondContact CD1-O 3.35Å; L234-L243 HydrophobicContact CD1-CD1 4.35Å; L234-L332 HydrophobicContact CD1-CD1 3.68Å
235	L	97.6	Very high	97.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.3	169.1	-54.2	180	0	0	0	108.9	Y122 Y152 L153 P233 Y240 Q242	Y122-L235 WeakPolarHBondContact OH-CD1 3.18Å; Y152-L235 HydrophobicContact CE1-CD1 4.14Å; L153-L235 HydrophobicContact CD1-CB 3.82Å; L153-L235 HydrophobicContact CD1-CD1 3.98Å; L153-L235 HydrophobicContact CD1-CG 4.43Å; P233-L235 HydrophobicContact CB-CD2 4.42Å; P233-L235 PolarHBondContact O-N 2.83Å; L235-Y240 HydrophobicContact CB-CD1 4.43Å; L235-Y240 HydrophobicContact CB-CE1 4.42Å; L235-Y240 HydrophobicContact CD1-CE1 4.13Å; L235-Q242 HydrophobicContact CB-CB 4.1Å; L235-Q242 PolarHBondContact N-O 3.26Å; L235-Q242 PolarHBondContact O-N 2.89Å
236	F	98.1	Very high	97.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	97.6	-175.9	-158.3	-65.4	0	0	0	108.7	Y129 I157 L160 L176 L241 L332	Y129-F236 HydrophobicContact CE2-CB 4.38Å; Y129-F236 PolarHBondContact OH-O 2.83Å; I157-F236 HydrophobicContact CB-CD1 4.23Å; I157-F236 HydrophobicContact CD1-CD1 3.91Å; I157-F236 HydrophobicContact CD1-CE1 3.92Å; I157-F236 HydrophobicContact CG1-CD1 4.48Å; I157-F236 PolarHBondContact N-O 3.2Å; L160-F236 HydrophobicContact CD1-CB 3.77Å; L160-F236 HydrophobicContact CD1-CD2 3.8Å; L160-F236 HydrophobicContact CD1-CG 3.79Å; L160-F236 HydrophobicContact CD2-CB 4.24Å; L160-F236 HydrophobicContact CD2-CD1 3.57Å; L160-F236 HydrophobicContact CD2-CD2 4.08Å; L160-F236 HydrophobicContact CD2-CE1 3.86Å; L160-F236 HydrophobicContact CD2-CE2 4.33Å; L160-F236 HydrophobicContact CD2-CG 3.71Å; L160-F236 HydrophobicContact CD2-CZ 4.23Å; L160-F236 HydrophobicContact CG-CG 4.39Å; L176-F236 HydrophobicContact CB-CE2 4.13Å; L176-F236 WeakPolarHBondContact O-CE2 3.45Å; F236-L241 HydrophobicContact CB-CD2 4.4Å; F236-L241 HydrophobicContact CD1-CD2 3.49Å; F236-L241 VanDerWaalsContact CD1-CD2 3.49Å; F236-L241 HydrophobicContact CD2-CD2 3.82Å; F236-L241 HydrophobicContact CE1-CD2 3.55Å; F236-L241 HydrophobicContact CE2-CD1 4.27Å; F236-L241 HydrophobicContact CE2-CD2 3.89Å; F236-L241 HydrophobicContact CG-CD2 3.63Å; F236-L241 HydrophobicContact CZ-CD1 4.24Å; F236-L241 HydrophobicContact CZ-CD2 3.76Å; F236-L332 HydrophobicContact CD2-CD1 4.09Å; F236-L332 HydrophobicContact CD2-CG 4.42Å; F236-L332 HydrophobicContact CE2-CB 4.49Å; F236-L332 HydrophobicContact CE2-CD1 4.31Å; F236-L332 HydrophobicContact CE2-CG 4.19Å
237	A	97.7	Very high	97.7	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.008	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	164.9	177	0	0	0	0	0	110	L153 K155 Q239 Y240 L241	L153-A237 HydrophobicContact CB-CB 3.88Å; L153-A237 HydrophobicContact CD1-CB 4.12Å; K155-A237 WeakPolarHBondContact O-CA 3.35Å; A237-Q239 PolarHBondContact O-N 3.18Å; A237-Y240 PolarHBondContact N-O 2.87Å; A237-Y240 PolarHBondContact O-N 3.4Å; A237-Y240 VanDerWaalsContact O-N 3.16Å; A237-L241 WeakPolarHBondContact O-CD2 3.48Å
238	D	97.8	Very high	97.7	Very high	53 Å²	53	12.8 Å²	12.8	28%	0.283	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-37	-172.5	-173	36	0	0	0	114.6	K155 R183	K155-D238 HydrophobicContact CB-CB 3.63Å; K155-D238 HydrophobicContact CD-CB 3.68Å; K155-D238 VanDerWaalsContact CD-OD2 3.29Å; K155-D238 WeakPolarHBondContact CD-OD2 3.38Å; K155-D238 HydrophobicContact CG-CB 4.36Å; K155-D238 IonicContact NZ-OD2 3.39Å; K155-D238 PolarHBondContact NZ-OD2 3.42Å; K155-D238 PolarHBondContact O-N 3.36Å; R183-D238 IonicContact CZ-OD1 3.26Å; R183-D238 IonicContact NH1-OD1 3.4Å; R183-D238 PolarHBondContact NH1-OD1 3.13Å; R183-D238 PolarHBondContact NH2-O 2.97Å; R183-D238 IonicContact NH2-OD1 3.83Å
239	Q	98	Very high	97.7	Very high	12 Å²	12	11.9 Å²	11.9	6%	0.056	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	25.3	178.2	-65.7	178.5	-95.1	0	0	113.4	A237 T328 E532 P537 Y564	A237-Q239 PolarHBondContact O-N 3.18Å; Q239-T328 CarbonylContact C-O 3.48Å; Q239-T328 WeakPolarHBondContact CA-O 3.38Å; Q239-E532 PolarHBondContact NE2-O 2.77Å; Q239-P537 HydrophobicContact CB-CG 3.86Å; Q239-Y564 PolarHBondContact NE2-OH 3.11Å
240	Y	98.4	Very high	97.6	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.012	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	107.6	175.5	-169.2	-81.1	0	0	0	110.9	D93 L153 L235 A237 Q242 V326 S327 Y538	D93-Y240 HydrophobicContact CB-CE2 4.48Å; L153-Y240 HydrophobicContact CD1-CD1 3.33Å; L153-Y240 HydrophobicContact CD1-CE1 3.95Å; L153-Y240 HydrophobicContact CD1-CG 3.9Å; L153-Y240 HydrophobicContact CD2-CD1 3.94Å; L153-Y240 HydrophobicContact CD2-CD2 4.2Å; L153-Y240 HydrophobicContact CD2-CE1 4.33Å; L153-Y240 HydrophobicContact CD2-CG 3.86Å; L153-Y240 HydrophobicContact CG-CD1 4.29Å; L235-Y240 HydrophobicContact CB-CD1 4.43Å; L235-Y240 HydrophobicContact CB-CE1 4.42Å; L235-Y240 HydrophobicContact CD1-CE1 4.13Å; A237-Y240 PolarHBondContact N-O 2.87Å; A237-Y240 PolarHBondContact O-N 3.4Å; A237-Y240 VanDerWaalsContact O-N 3.16Å; Y240-Q242 HydrophobicContact CD1-CB 4.31Å; Y240-Q242 HydrophobicContact CE1-CB 3.66Å; Y240-Q242 HydrophobicContact CE1-CG 4.45Å; Y240-Q242 PolarHBondContact OH-OE1 3.07Å; Y240-V326 HydrophobicContact CD2-CG1 3.93Å; Y240-V326 HydrophobicContact CE1-CG1 4.16Å; Y240-V326 HydrophobicContact CE2-CG1 3.4Å; Y240-V326 VanDerWaalsContact CE2-CG1 3.4Å; Y240-V326 HydrophobicContact CG-CG1 4.5Å; Y240-S327 WeakPolarHBondContact CA-O 3.43Å; Y240-Y538 AromaticContact CD2-CD1 3.99Å; Y240-Y538 HydrophobicContact CD2-CD1 3.99Å; Y240-Y538 AromaticContact CD2-CG 3.82Å; Y240-Y538 HydrophobicContact CD2-CG 3.82Å; Y240-Y538 AromaticContact CE2-CD1 3.95Å; Y240-Y538 HydrophobicContact CE2-CD1 3.95Å; Y240-Y538 HydrophobicContact CE2-CD2 4.11Å; Y240-Y538 HydrophobicContact CE2-CE1 4.43Å; Y240-Y538 AromaticContact CE2-CG 3.75Å; Y240-Y538 HydrophobicContact CE2-CG 3.75Å
241	L	98.7	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.4	175.3	-47.5	-175.1	0	0	0	109.1	F236 A237 V326 S327 G329 L332	F236-L241 HydrophobicContact CB-CD2 4.4Å; F236-L241 HydrophobicContact CD1-CD2 3.49Å; F236-L241 VanDerWaalsContact CD1-CD2 3.49Å; F236-L241 HydrophobicContact CD2-CD2 3.82Å; F236-L241 HydrophobicContact CE1-CD2 3.55Å; F236-L241 HydrophobicContact CE2-CD1 4.27Å; F236-L241 HydrophobicContact CE2-CD2 3.89Å; F236-L241 HydrophobicContact CG-CD2 3.63Å; F236-L241 HydrophobicContact CZ-CD1 4.24Å; F236-L241 HydrophobicContact CZ-CD2 3.76Å; A237-L241 WeakPolarHBondContact O-CD2 3.48Å; L241-V326 CarbonylContact O-C 3.58Å; L241-V326 VanDerWaalsContact O-CA 3.29Å; L241-V326 WeakPolarHBondContact O-CA 3.32Å; L241-S327 PolarHBondContact N-O 3.39Å; L241-S327 PolarHBondContact O-N 3.37Å; L241-G329 WeakPolarHBondContact CD1-O 3.33Å; L241-L332 HydrophobicContact CB-CD2 4.04Å; L241-L332 HydrophobicContact CB-CG 4.17Å; L241-L332 HydrophobicContact CD1-CD2 4.45Å; L241-L332 HydrophobicContact CD1-CG 4.26Å
242	Q	98.6	Very high	97.7	Very high	5 Å²	5	12.6 Å²	12.6	2%	0.023	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.7	180	-175.4	-175.8	-74.9	0	0	112	L234 L235 Y240 T324 W325 V326	L234-Q242 WeakPolarHBondContact CD1-O 3.35Å; L235-Q242 HydrophobicContact CB-CB 4.1Å; L235-Q242 PolarHBondContact N-O 3.26Å; L235-Q242 PolarHBondContact O-N 2.89Å; Y240-Q242 HydrophobicContact CD1-CB 4.31Å; Y240-Q242 HydrophobicContact CE1-CB 3.66Å; Y240-Q242 HydrophobicContact CE1-CG 4.45Å; Y240-Q242 PolarHBondContact OH-OE1 3.07Å; Q242-T324 HydrophobicContact CG-CG2 3.73Å; Q242-W325 VanDerWaalsContact CA-O 3.29Å; Q242-W325 WeakPolarHBondContact CA-O 3.25Å; Q242-V326 HydrophobicContact CG-CG2 4.29Å
243	L	98.6	Very high	97.9	Very high	6 Å²	6	12 Å²	12	3%	0.031	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	120.6	172.4	-174.4	69.4	0	0	0	109.7	T229 L234 W325 L332 L334	T229-L243 HydrophobicContact CG2-CD1 3.92Å; T229-L243 HydrophobicContact CG2-CD2 4.36Å; T229-L243 HydrophobicContact CG2-CG 4.17Å; L234-L243 HydrophobicContact CD1-CD1 4.35Å; L243-W325 PolarHBondContact N-O 2.85Å; L243-W325 VanDerWaalsContact N-O 3.16Å; L243-W325 PolarHBondContact O-N 2.79Å; L243-L332 HydrophobicContact CB-CD1 4.07Å; L243-L334 HydrophobicContact CD2-CD1 3.73Å; L243-L334 HydrophobicContact CD2-CD2 3.91Å
244	S	98.6	Very high	98	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	156	174.3	-54	0	0	0	0	111.5	T229 A232 L323 T324	T229-S244 VanDerWaalsContact CA-O 3.24Å; T229-S244 WeakPolarHBondContact CA-O 3.27Å; T229-S244 WeakPolarHBondContact CB-O 3.47Å; T229-S244 WeakPolarHBondContact CG2-O 3.42Å; A232-S244 WeakPolarHBondContact CB-OG 3.37Å; S244-L323 CarbonylContact C-O 3.56Å; S244-L323 VanDerWaalsContact CA-O 3.24Å; S244-L323 WeakPolarHBondContact CA-O 3.3Å; S244-T324 WeakPolarHBondContact CB-OG1 3.36Å; S244-T324 WeakPolarHBondContact OG-CG2 3.3Å; S244-T324 PolarHBondContact OG-OG1 2.83Å
245	T	98.6	Very high	98.1	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	144.3	171.2	-176.3	0	0	0	0	111.5	M227 N228 L247 A322 L323	M227-T245 VanDerWaalsContact CA-OG1 3.32Å; M227-T245 WeakPolarHBondContact CA-OG1 3.44Å; M227-T245 WeakPolarHBondContact CB-OG1 3.36Å; M227-T245 HydrophobicContact CE-CG2 3.98Å; N228-T245 PolarHBondContact N-OG1 2.61Å; N228-T245 VanDerWaalsContact O-CA 3.25Å; N228-T245 WeakPolarHBondContact O-CA 3.28Å; N228-T245 PolarHBondContact O-OG1 2.8Å; T245-L247 HydrophobicContact CG2-CD2 4.32Å; T245-A322 CarbonylContact O-C 3.58Å; T245-A322 VanDerWaalsContact O-CA 3.26Å; T245-A322 WeakPolarHBondContact O-CA 3.15Å; T245-A322 VanDerWaalsContact O-CB 3.26Å; T245-A322 WeakPolarHBondContact O-CB 3.33Å; T245-L323 HydrophobicContact CG2-CB 4.24Å; T245-L323 PolarHBondContact N-O 2.96Å; T245-L323 PolarHBondContact O-N 2.04Å
246	S	98.3	Very high	98	Very high	24 Å²	24	11.4 Å²	11.4	17%	0.168	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	154.5	157.4	68.1	0	0	0	0	110.3	N228	N228-S246 WeakPolarHBondContact CB-OG 3.15Å; N228-S246 PolarHBondContact O-N 2.86Å; N228-S246 VanDerWaalsContact O-N 3.08Å
247	L	98.3	Very high	98	Very high	11 Å²	11	11.9 Å²	11.9	6%	0.058	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	151.2	176.4	-61.8	168.1	0	0	0	111	T245 S249 V252 L266 Y293 V295 P321 L323	T245-L247 HydrophobicContact CG2-CD2 4.32Å; L247-S249 PolarHBondContact O-N 2.81Å; L247-V252 HydrophobicContact CD1-CG2 3.75Å; L247-L266 HydrophobicContact CD1-CD2 4.29Å; L247-Y293 HydrophobicContact CD2-CE2 3.74Å; L247-V295 HydrophobicContact CD2-CG2 4.21Å; L247-P321 HydrophobicContact CB-CB 4.24Å; L247-P321 HydrophobicContact CB-CG 4.15Å; L247-P321 HydrophobicContact CD1-CB 4.4Å; L247-P321 PolarHBondContact N-O 3.07Å; L247-L323 HydrophobicContact CD1-CB 4.16Å; L247-L323 HydrophobicContact CD2-CB 4.14Å; L247-L323 HydrophobicContact CG-CB 4.3Å
248	A	97.4	Very high	97.9	Very high	12 Å²	12	12.3 Å²	12.3	10%	0.099	8%	0.075	C	C	.	.	S	Bend	trans	-71.6	-15.8	-177.5	0	0	0	0	0	114.9	R224 V225 L226 V295 E297	R224-A248 HydrophobicContact CG-CB 4.47Å; R224-A248 PolarHBondContact NH1-O 3.41Å; V225-A248 WeakPolarHBondContact O-CB 3.15Å; L226-A248 HydrophobicContact CD2-CB 4.38Å; A248-V295 HydrophobicContact CB-CG1 4.37Å; A248-E297 HydrophobicContact CB-CG 4.15Å
249	S	97.2	Very high	97.9	Very high	10 Å²	10	11.2 Å²	11.2	7%	0.07	7%	0.066	C	C	.	.	S	Bend	trans	-163.3	176.3	175.6	81.5	0	0	0	0	109.5	L247 L251 V295 Q296 P321	L247-S249 PolarHBondContact O-N 2.81Å; S249-L251 PolarHBondContact OG-N 2.92Å; S249-V295 WeakPolarHBondContact OG-CG1 3.19Å; S249-Q296 WeakPolarHBondContact CB-O 3.41Å; S249-Q296 PolarHBondContact OG-O 3Å; S249-P321 WeakPolarHBondContact O-CG 3.45Å
250	S	96.7	Very high	97.8	Very high	74 Å²	74	11.5 Å²	11.5	52%	0.517	7%	0.069	S	C	.	.	S	Bend	trans	-86.2	0.1	171.5	53.1	0	0	0	0	114.4	V252	S250-V252 PolarHBondContact O-N 3.23Å
251	L	97.6	Very high	97.7	Very high	26 Å²	26	13.6 Å²	13.6	14%	0.136	8%	0.084	C	C	.	.			trans	-91.6	76.1	-174	-64.8	171.2	0	0	0	110.8	S249 V263 V295 Q296 R733 T734	S249-L251 PolarHBondContact OG-N 2.92Å; L251-V263 HydrophobicContact CD2-CG1 4.37Å; L251-V295 WeakPolarHBondContact O-CA 3.36Å; L251-Q296 HydrophobicContact CB-CB 3.84Å; L251-Q296 HydrophobicContact CB-CG 4.37Å; L251-Q296 HydrophobicContact CD1-CB 4.12Å; L251-Q296 PolarHBondContact O-N 3.24Å; L251-R733 HydrophobicContact CD1-CB 4.08Å; L251-R733 HydrophobicContact CD1-CG 4.35Å; L251-R733 HydrophobicContact CD2-CB 4.38Å; L251-T734 HydrophobicContact CD2-CG2 3.93Å
252	V	98.3	Very high	97.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.4	-176.3	-168.3	0	0	0	0	110.7	L247 S250 V263 L264 L266 Y293 I294 V295	L247-V252 HydrophobicContact CD1-CG2 3.75Å; S250-V252 PolarHBondContact O-N 3.23Å; V252-V263 CarbonylContact O-C 3.47Å; V252-V263 WeakPolarHBondContact O-CA 3.28Å; V252-L264 HydrophobicContact CG1-CD1 4.22Å; V252-L264 PolarHBondContact O-N 2.86Å; V252-L266 HydrophobicContact CB-CD1 4.3Å; V252-L266 HydrophobicContact CG2-CD1 4.01Å; V252-L266 HydrophobicContact CG2-CD2 4.22Å; V252-Y293 HydrophobicContact CG1-CD2 4.14Å; V252-Y293 HydrophobicContact CG1-CG 4.38Å; V252-I294 WeakPolarHBondContact CA-O 3.5Å; V252-V295 HydrophobicContact CG2-CG2 4.47Å
253	S	98.3	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.2	172.5	-63.3	0	0	0	0	110.8	L262 Y293 I294	S253-L262 WeakPolarHBondContact CA-O 3.06Å; S253-L262 WeakPolarHBondContact CB-O 3.41Å; S253-L262 PolarHBondContact OG-O 3.26Å; S253-Y293 CarbonylContact O-C 3.45Å; S253-Y293 VanDerWaalsContact O-CA 3.31Å; S253-Y293 WeakPolarHBondContact O-CA 3.4Å; S253-I294 PolarHBondContact N-O 2.76Å; S253-I294 PolarHBondContact O-N 3.19Å
254	G	98.2	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.9	-144.7	-179.7	0	0	0	0	0	111.9	G256	G254-G256 PolarHBondContact O-N 3.35Å
255	L	98.4	Very high	97.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.			trans	59.5	21.8	179.7	-55.5	-179.1	0	0	0	115.9	H258 L264 L273 H290 F292 Y293 V315 L317 L323 W325	L255-H258 PolarHBondContact O-CE1 2.94Å; L255-H258 PolarHBondContact O-ND1 3.1Å; L255-L264 HydrophobicContact CB-CD1 4.13Å; L255-L264 HydrophobicContact CD1-CD1 3.77Å; L255-L264 HydrophobicContact CG-CD1 4.08Å; L255-L273 WeakPolarHBondContact O-CD2 3.49Å; L255-H290 WeakPolarHBondContact CA-O 3.44Å; L255-F292 PolarHBondContact N-O 3.09Å; L255-Y293 HydrophobicContact CD2-CD1 4.08Å; L255-V315 HydrophobicContact CD1-CB 4.18Å; L255-V315 HydrophobicContact CD1-CG1 3.66Å; L255-V315 HydrophobicContact CD2-CG1 4.28Å; L255-V315 HydrophobicContact CD2-CG2 4.43Å; L255-L317 HydrophobicContact CD1-CD2 4.34Å; L255-L323 HydrophobicContact CD1-CD1 4.23Å; L255-W325 HydrophobicContact CD2-CH2 3.56Å; L255-W325 HydrophobicContact CD2-CZ2 4.48Å; L255-W325 HydrophobicContact CD2-CZ3 3.98Å
256	G	95.7	Very high	97.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.			trans	-70.8	170.8	-177	0	0	0	0	0	114.1	G254 L273 H290	G254-G256 PolarHBondContact O-N 3.35Å; G256-L273 WeakPolarHBondContact O-CD2 3.38Å; G256-H290 PolarHBondContact O-N 3.21Å
257	E	98.3	Very high	97.1	Very high	11 Å²	11	23.8 Å²	23.8	5%	0.051	14%	0.138	C	C	.	.	S	Bend	cis	-100	122.1	10.3	-168.2	177.8	-168.9	0	0	113.1	L286 Y287 G288 F629	E257-L286 HydrophobicContact CB-CB 4.19Å; E257-L286 HydrophobicContact CG-CB 4Å; E257-L286 HydrophobicContact CG-CD1 4.22Å; E257-L286 WeakPolarHBondContact O-CB 3.36Å; E257-L286 PolarHBondContact O-N 2.68Å; E257-Y287 WeakPolarHBondContact OE2-CB 3.35Å; E257-Y287 PolarHBondContact OE2-N 2.77Å; E257-G288 WeakPolarHBondContact CB-O 3.48Å; E257-G288 PolarHBondContact N-O 2.98Å; E257-G288 PolarHBondContact OE2-N 3.38Å; E257-F629 HydrophobicContact CG-CE2 4.15Å; E257-F629 HydrophobicContact CG-CZ 4.14Å; E257-F629 WeakPolarHBondContact OE1-CE2 3.48Å
258	H	97.3	Very high	97	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.046	14%	0.143	C	C	.	.	S	Bend	trans	-144.4	153	177.3	-54.7	97.3	0	0	0	111.2	L255 T260 W271 T272 V284	L255-H258 PolarHBondContact O-CE1 2.94Å; L255-H258 PolarHBondContact O-ND1 3.1Å; H258-T260 HydrophobicContact CB-CG2 4.24Å; H258-T260 PolarHBondContact O-N 3.26Å; H258-W271 HydrophobicContact CB-CE3 3.69Å; H258-W271 HydrophobicContact CB-CH2 4.46Å; H258-W271 HydrophobicContact CB-CZ3 3.63Å; H258-W271 AromaticContact CD2-CE3 3.63Å; H258-W271 AromaticContact CG-CE3 3.36Å; H258-W271 AromaticContact CG-CZ3 3.85Å; H258-W271 AromaticContact ND1-CE3 3.79Å; H258-T272 PolarHBondContact NE2-O 3.49Å; H258-V284 PolarHBondContact CD2-O 2.8Å
259	Y	96.3	Very high	96.8	Very high	29 Å²	29	25.8 Å²	25.8	11%	0.114	15%	0.145	C	C	.	.	S	Bend	trans	-79.2	94.8	171.9	-172.2	-102	0	0	0	110.1	P280 H281 E617 Q618 F621	Y259-P280 HydrophobicContact CD2-CB 4.05Å; Y259-H281 VanDerWaalsContact CB-C 3.44Å; Y259-H281 WeakPolarHBondContact CB-O 3.36Å; Y259-E617 WeakPolarHBondContact OH-CG 3.39Å; Y259-Q618 VanDerWaalsContact CE2-OE1 3.29Å; Y259-F621 HydrophobicContact CD2-CB 4.17Å; Y259-F621 AromaticContact CE1-CD2 3.76Å; Y259-F621 HydrophobicContact CE1-CD2 3.76Å; Y259-F621 HydrophobicContact CE1-CE2 4.02Å; Y259-F621 HydrophobicContact CE1-CG 4.15Å; Y259-F621 HydrophobicContact CE2-CB 3.5Å; Y259-F621 VanDerWaalsContact CE2-CB 3.5Å; Y259-F621 HydrophobicContact CE2-CD2 4.11Å; Y259-F621 AromaticContact CE2-CG 3.98Å; Y259-F621 HydrophobicContact CE2-CG 3.98Å; Y259-F621 AromaticContact CZ-CD2 3.42Å; Y259-F621 VanDerWaalsContact CZ-CD2 3.42Å; Y259-F621 AromaticContact CZ-CG 3.75Å; Y259-F621 WeakPolarHBondContact OH-CD2 3.45Å
260	T	96.1	Very high	96.7	Very high	19 Å²	19	26.4 Å²	26.4	12%	0.117	15%	0.149	C	C	.	.			trans	-154.6	163.3	-173.9	-173.6	0	0	0	0	112.2	H258 L264 W271	H258-T260 HydrophobicContact CB-CG2 4.24Å; H258-T260 PolarHBondContact O-N 3.26Å; T260-L264 HydrophobicContact CG2-CD2 3.79Å; T260-W271 HydrophobicContact CG2-CH2 4.28Å; T260-W271 HydrophobicContact CG2-CZ2 4.4Å
261	S	96.8	Very high	96.7	Very high	47 Å²	47	24 Å²	24	33%	0.329	13%	0.129	S	C	.	.			trans	-64.2	158.5	167.1	-97.5	0	0	0	0	111.3	V263 D736	S261-V263 VanDerWaalsContact C-N 3.32Å; S261-V263 PolarHBondContact O-N 3.28Å; S261-D736 WeakPolarHBondContact CA-OD2 3.15Å; S261-D736 WeakPolarHBondContact CB-OD2 3.23Å; S261-D736 PolarHBondContact OG-OD2 3.18Å
262	L	97.1	Very high	96.7	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	-65.7	-35.3	-174.3	-177.4	62	0	0	0	113.1	S253 P624 L627 Q628 L631 P721 F723 D736	S253-L262 WeakPolarHBondContact CA-O 3.06Å; S253-L262 WeakPolarHBondContact CB-O 3.41Å; S253-L262 PolarHBondContact OG-O 3.26Å; L262-P624 HydrophobicContact CB-CB 4.02Å; L262-L627 HydrophobicContact CD1-CB 4.03Å; L262-L627 HydrophobicContact CD2-CB 4.22Å; L262-L627 HydrophobicContact CD2-CD1 3.92Å; L262-Q628 HydrophobicContact CD1-CG 3.86Å; L262-L631 HydrophobicContact CD1-CD1 4.29Å; L262-P721 HydrophobicContact CD2-CB 3.68Å; L262-P721 HydrophobicContact CD2-CG 3.56Å; L262-F723 HydrophobicContact CD2-CE1 3.83Å; L262-F723 HydrophobicContact CG-CE1 4.37Å; L262-D736 HydrophobicContact CB-CB 3.58Å; L262-D736 HydrophobicContact CD2-CB 4.42Å; L262-D736 PolarHBondContact N-OD2 2.72Å; L262-D736 VanDerWaalsContact N-OD2 3.12Å
263	V	97.1	Very high	96.8	Very high	31 Å²	31	23.2 Å²	23.2	19%	0.188	13%	0.125	C	C	.	.	S	Bend	trans	-92.5	122.6	168.5	-179.4	0	0	0	0	107.3	L251 V252 S261 R733 T734	L251-V263 HydrophobicContact CD2-CG1 4.37Å; V252-V263 CarbonylContact O-C 3.47Å; V252-V263 WeakPolarHBondContact O-CA 3.28Å; S261-V263 VanDerWaalsContact C-N 3.32Å; S261-V263 PolarHBondContact O-N 3.28Å; V263-R733 WeakPolarHBondContact CG2-O 3.46Å; V263-T734 HydrophobicContact CG2-CG2 4.36Å
264	L	97.3	Very high	96.8	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.042	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-71.1	147.7	-175.6	-57	178.4	0	0	0	110.8	V252 L255 T260 L266 W271 L317	V252-L264 HydrophobicContact CG1-CD1 4.22Å; V252-L264 PolarHBondContact O-N 2.86Å; L255-L264 HydrophobicContact CB-CD1 4.13Å; L255-L264 HydrophobicContact CD1-CD1 3.77Å; L255-L264 HydrophobicContact CG-CD1 4.08Å; T260-L264 HydrophobicContact CG2-CD2 3.79Å; L264-L266 WeakPolarHBondContact O-CD1 3.29Å; L264-W271 HydrophobicContact CD2-CZ2 4.42Å; L264-L317 HydrophobicContact CB-CD1 3.81Å; L264-L317 HydrophobicContact CD1-CD1 3.89Å
265	D	95.9	Very high	96.8	Very high	91 Å²	91	23.4 Å²	23.4	49%	0.487	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-71.5	138.8	165.3	-172.1	9.6	0	0	0	109.6	N267 T269 L317	D265-N267 VanDerWaalsContact OD1-CB 3.29Å; D265-N267 WeakPolarHBondContact OD1-CB 3.45Å; D265-N267 PolarHBondContact OD1-N 2.83Å; D265-T269 VanDerWaalsContact C-OG1 3.31Å; D265-T269 HydrophobicContact CB-CG2 4.46Å; D265-T269 WeakPolarHBondContact CB-OG1 3.3Å; D265-T269 VanDerWaalsContact O-CB 3.28Å; D265-T269 WeakPolarHBondContact O-CB 3.41Å; D265-T269 PolarHBondContact O-OG1 2.84Å; D265-L317 VanDerWaalsContact O-CD1 3.3Å; D265-L317 WeakPolarHBondContact O-CD1 3.23Å
266	L	96.6	Very high	96.8	Very high	15 Å²	15	24.8 Å²	24.8	8%	0.079	13%	0.131	C	C	.	.			trans	-108.9	4.8	177.7	-81.3	68.2	0	0	0	111.7	L247 V252 L264 W268 L317 Q318 P319 P321	L247-L266 HydrophobicContact CD1-CD2 4.29Å; V252-L266 HydrophobicContact CB-CD1 4.3Å; V252-L266 HydrophobicContact CG2-CD1 4.01Å; V252-L266 HydrophobicContact CG2-CD2 4.22Å; L264-L266 WeakPolarHBondContact O-CD1 3.29Å; L266-W268 VanDerWaalsContact C-N 3.31Å; L266-W268 PolarHBondContact O-N 2.95Å; L266-L317 HydrophobicContact CB-CB 4.44Å; L266-L317 HydrophobicContact CD1-CD1 4.39Å; L266-L317 HydrophobicContact CG-CB 4.18Å; L266-L317 CarbonylContact O-C 3.58Å; L266-Q318 CarbonylContact O-C 3.21Å; L266-Q318 WeakPolarHBondContact O-CA 3.03Å; L266-Q318 PolarHBondContact O-N 3Å; L266-P319 WeakPolarHBondContact O-CD 3.28Å; L266-P319 VanDerWaalsContact O-N 3.15Å; L266-P321 HydrophobicContact CD2-CB 3.39Å
267	N	95.4	Very high	97	Very high	103 Å²	103	26.4 Å²	26.4	55%	0.551	14%	0.14	S	C	*	.	S	Bend	trans	-83	69.1	-177.3	-172.2	35	0	0	0	113	D265 T269	D265-N267 VanDerWaalsContact OD1-CB 3.29Å; D265-N267 WeakPolarHBondContact OD1-CB 3.45Å; D265-N267 PolarHBondContact OD1-N 2.83Å; N267-T269 PolarHBondContact O-N 2.76Å
268	W	94.6	Very high	96.9	Very high	42 Å²	42	27.8 Å²	27.8	16%	0.159	15%	0.147	C	C	.	.	S	Bend	trans	62.4	24.7	-178.4	-53.8	97.8	0	0	0	113.9	P84 E85 R87 P117 P118 L266 L317 Q318	P84-W268 WeakPolarHBondContact O-CH2 3.49Å; P84-W268 VanDerWaalsContact O-CZ2 3.29Å; P84-W268 WeakPolarHBondContact O-CZ2 3.19Å; E85-W268 WeakPolarHBondContact O-CH2 3.34Å; R87-W268 WeakPolarHBondContact O-CH2 3.43Å; P117-W268 VanDerWaalsContact CA-CZ2 3.5Å; P117-W268 HydrophobicContact CB-CH2 4.13Å; P117-W268 HydrophobicContact CB-CZ2 3.59Å; P117-W268 HydrophobicContact CG-CZ2 3.63Å; P118-W268 VanDerWaalsContact CD-CZ3 3.41Å; P118-W268 HydrophobicContact CG-CZ3 4.36Å; L266-W268 VanDerWaalsContact C-N 3.31Å; L266-W268 PolarHBondContact O-N 2.95Å; W268-L317 CarbonylContact C-O 3.53Å; W268-L317 WeakPolarHBondContact CA-O 3.48Å; W268-L317 PolarHBondContact N-O 2.9Å; W268-Q318 HydrophobicContact CD2-CB 4.24Å; W268-Q318 HydrophobicContact CE3-CB 3.77Å; W268-Q318 HydrophobicContact CH2-CB 3.94Å; W268-Q318 HydrophobicContact CZ2-CB 4.38Å; W268-Q318 HydrophobicContact CZ3-CB 3.59Å; W268-Q318 HydrophobicContact CZ3-CG 4.4Å
269	T	94.7	Very high	96.9	Very high	24 Å²	24	28.3 Å²	28.3	15%	0.147	15%	0.153	C	C	.	.			trans	-69	151.8	178.1	-41.9	0	0	0	0	110.7	D265 N267 W271 L317	D265-T269 VanDerWaalsContact C-OG1 3.31Å; D265-T269 HydrophobicContact CB-CG2 4.46Å; D265-T269 WeakPolarHBondContact CB-OG1 3.3Å; D265-T269 VanDerWaalsContact O-CB 3.28Å; D265-T269 WeakPolarHBondContact O-CB 3.41Å; D265-T269 PolarHBondContact O-OG1 2.84Å; N267-T269 PolarHBondContact O-N 2.76Å; T269-W271 HydrophobicContact CG2-CD2 4.43Å; T269-W271 HydrophobicContact CG2-CH2 4.34Å; T269-W271 HydrophobicContact CG2-CZ2 3.55Å; T269-L317 PolarHBondContact N-O 3.44Å; T269-L317 PolarHBondContact O-N 2.8Å
270	S	94.6	Very high	96.9	Very high	23 Å²	23	27.3 Å²	27.3	16%	0.161	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	130	-179.8	-166.9	0	0	0	0	111.8	E314 V315 R541	S270-E314 WeakPolarHBondContact OG-CG 3.36Å; S270-E314 PolarHBondContact OG-OE1 3.37Å; S270-V315 CarbonylContact C-O 3.54Å; S270-V315 WeakPolarHBondContact CA-O 3.01Å; S270-R541 VanDerWaalsContact CB-CZ 3.45Å; S270-R541 PolarHBondContact OG-NH2 3.35Å
271	W	96.4	Very high	96.8	Very high	22 Å²	22	30 Å²	30	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.8	-176.3	-60.7	116.2	0	0	0	109.7	H258 T260 L264 T269 V315	H258-W271 HydrophobicContact CB-CE3 3.69Å; H258-W271 HydrophobicContact CB-CH2 4.46Å; H258-W271 HydrophobicContact CB-CZ3 3.63Å; H258-W271 AromaticContact CD2-CE3 3.63Å; H258-W271 AromaticContact CG-CE3 3.36Å; H258-W271 AromaticContact CG-CZ3 3.85Å; H258-W271 AromaticContact ND1-CE3 3.79Å; T260-W271 HydrophobicContact CG2-CH2 4.28Å; T260-W271 HydrophobicContact CG2-CZ2 4.4Å; L264-W271 HydrophobicContact CD2-CZ2 4.42Å; T269-W271 HydrophobicContact CG2-CD2 4.43Å; T269-W271 HydrophobicContact CG2-CH2 4.34Å; T269-W271 HydrophobicContact CG2-CZ2 3.55Å; W271-V315 PolarHBondContact N-O 2.9Å; W271-V315 PolarHBondContact O-N 3.38Å
272	T	98.3	Very high	96.6	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.055	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.7	178.7	-58.7	0	0	0	0	109.6	H258 W274 N285 I313 P540 R541 V542	H258-T272 PolarHBondContact NE2-O 3.49Å; T272-W274 HydrophobicContact CG2-CB 4.26Å; T272-N285 HydrophobicContact CG2-CB 4.26Å; T272-N285 VanDerWaalsContact O-CB 3.24Å; T272-N285 WeakPolarHBondContact O-CB 3.24Å; T272-I313 WeakPolarHBondContact CA-O 3.5Å; T272-P540 HydrophobicContact CG2-CB 3.76Å; T272-R541 WeakPolarHBondContact CB-O 3.31Å; T272-R541 VanDerWaalsContact OG1-C 3.27Å; T272-R541 PolarHBondContact OG1-O 2.81Å; T272-V542 HydrophobicContact CG2-CB 4.48Å; T272-V542 HydrophobicContact CG2-CG1 3.56Å
273	L	98.8	Very high	96.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	91.5	178	-65.8	167.9	0	0	0	108.9	L255 G256 S289 P291 I313 V315 W325 N568	L255-L273 WeakPolarHBondContact O-CD2 3.49Å; G256-L273 WeakPolarHBondContact O-CD2 3.38Å; L273-S289 VanDerWaalsContact C-OG 3.22Å; L273-P291 HydrophobicContact CD1-CB 3.85Å; L273-I313 HydrophobicContact CB-CB 4.15Å; L273-I313 HydrophobicContact CD1-CB 4.25Å; L273-I313 HydrophobicContact CD1-CG2 4.24Å; L273-I313 PolarHBondContact N-O 2.92Å; L273-I313 PolarHBondContact O-N 3.36Å; L273-V315 HydrophobicContact CD1-CG2 3.7Å; L273-V315 HydrophobicContact CG-CG2 4.36Å; L273-W325 HydrophobicContact CD1-CZ3 4.34Å; L273-N568 PolarHBondContact O-ND2 3.45Å
274	W	98.8	Very high	96	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	20%	0.2	C	C	.	.			trans	-153.4	119.5	177.2	-172	-112.8	0	0	0	108.7	T272 R276 N285 S289 A312 V542 L547 M554 H567 N568	T272-W274 HydrophobicContact CG2-CB 4.26Å; W274-R276 PolarHBondContact O-N 2.96Å; W274-N285 PolarHBondContact O-ND2 2.88Å; W274-S289 PolarHBondContact N-OG 3.16Å; W274-S289 VanDerWaalsContact N-OG 3.16Å; W274-A312 HydrophobicContact CD2-CB 4Å; W274-A312 HydrophobicContact CE3-CB 3.46Å; W274-A312 VanDerWaalsContact CE3-CB 3.46Å; W274-A312 HydrophobicContact CZ3-CB 3.86Å; W274-V542 HydrophobicContact CB-CG1 3.76Å; W274-V542 HydrophobicContact CG-CG1 3.84Å; W274-L547 HydrophobicContact CD2-CD2 4.39Å; W274-L547 HydrophobicContact CZ2-CB 3.87Å; W274-L547 HydrophobicContact CZ2-CD2 4.48Å; W274-L547 PolarHBondContact NE1-O 2.8Å; W274-M554 HydrophobicContact CH2-CE 4.21Å; W274-M554 HydrophobicContact CH2-SD 3.54Å; W274-M554 VanDerWaalsContact CH2-SD 3.54Å; W274-M554 HydrophobicContact CZ2-CE 3.65Å; W274-M554 HydrophobicContact CZ2-SD 3.42Å; W274-M554 WeakPolarHBondContact CZ2-SD 3.34Å; W274-H567 AromaticContact CD2-CD2 3.42Å; W274-H567 VanDerWaalsContact CD2-CD2 3.42Å; W274-H567 AromaticContact CD2-NE2 3.76Å; W274-H567 AromaticContact CE2-CD2 3.28Å; W274-H567 AromaticContact CE2-CG 3.9Å; W274-H567 AromaticContact CE2-NE2 3.44Å; W274-H567 AromaticContact CE3-CD2 3.47Å; W274-H567 VanDerWaalsContact CE3-CD2 3.47Å; W274-H567 HydrophobicContact CH2-CB 3.31Å; W274-H567 AromaticContact CH2-CD2 3.41Å; W274-H567 VanDerWaalsContact CH2-CD2 3.41Å; W274-H567 WeakPolarHBondContact CH2-CD2 3.12Å; W274-H567 AromaticContact CH2-CG 3.39Å; W274-H567 HydrophobicContact CZ2-CB 3.86Å; W274-H567 AromaticContact CZ2-CD2 3.29Å; W274-H567 WeakPolarHBondContact CZ2-CD2 3.41Å; W274-H567 AromaticContact CZ2-CG 3.4Å; W274-H567 VanDerWaalsContact CZ2-CG 3.4Å; W274-H567 AromaticContact CZ2-ND1 3.91Å; W274-H567 AromaticContact CZ2-NE2 3.75Å; W274-H567 HydrophobicContact CZ3-CB 3.7Å; W274-H567 AromaticContact CZ3-CD2 3.48Å; W274-H567 VanDerWaalsContact CZ3-CD2 3.48Å; W274-H567 WeakPolarHBondContact CZ3-CD2 3.49Å; W274-H567 AromaticContact CZ3-CG 3.83Å; W274-H567 AromaticContact NE1-CD2 3.96Å; W274-H567 AromaticContact NE1-NE2 3.61Å; W274-N568 WeakPolarHBondContact CA-OD1 3.03Å
275	N	98.8	Very high	96	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.198	C	C	.	.			trans	-65.7	127.2	-170.6	-68.3	10.7	0	0	0	110.8	L286 Y287 G288 S289 E516 H567 N568 S596 S597	N275-L286 CarbonylContact C-O 3.48Å; N275-L286 WeakPolarHBondContact CA-O 3.48Å; N275-Y287 WeakPolarHBondContact CB-O 3.36Å; N275-Y287 PolarHBondContact ND2-O 3.39Å; N275-G288 VanDerWaalsContact OD1-C 3.22Å; N275-S289 WeakPolarHBondContact OD1-CB 3.36Å; N275-S289 PolarHBondContact OD1-N 2.98Å; N275-S289 PolarHBondContact OD1-OG 3.08Å; N275-E516 HydrophobicContact CB-CB 4.09Å; N275-E516 HydrophobicContact CB-CG 4.29Å; N275-H567 PolarHBondContact O-CE1 2.81Å; N275-H567 PolarHBondContact O-NE2 3.07Å; N275-N568 PolarHBondContact N-OD1 2.88Å; N275-N568 WeakPolarHBondContact ND2-CA 3.39Å; N275-N568 PolarHBondContact ND2-O 3.22Å; N275-N568 VanDerWaalsContact ND2-O 3.09Å; N275-N568 PolarHBondContact OD1-OD1 3Å; N275-S596 PolarHBondContact ND2-OG 3.03Å; N275-S597 PolarHBondContact ND2-O 3.01Å
276	R	98.5	Very high	96.1	Very high	28 Å²	28	32.3 Å²	32.3	11%	0.106	18%	0.176	C	C	.	.			trans	-150.3	128.7	-170.9	175.3	57.1	-173.3	-92.5	-11.6	113.5	W274 M278 N285 L286 Y287 V543 S549	W274-R276 PolarHBondContact O-N 2.96Å; R276-M278 HydrophobicContact CG-CB 4.11Å; R276-M278 PolarHBondContact O-N 2.81Å; R276-N285 WeakPolarHBondContact CB-ND2 3.18Å; R276-L286 PolarHBondContact N-O 2.87Å; R276-L286 CarbonylContact O-C 3.51Å; R276-L286 VanDerWaalsContact O-C 3.28Å; R276-Y287 WeakPolarHBondContact O-CD1 3.39Å; R276-Y287 PolarHBondContact O-N 3.07Å; R276-V543 PolarHBondContact NH1-O 3.31Å; R276-S549 PolarHBondContact NH1-O 3.2Å; R276-S549 PolarHBondContact NH1-OG 3.06Å
277	D	98.4	Very high	96.2	Very high	34 Å²	34	31.6 Å²	31.6	18%	0.182	17%	0.172	C	C	.	.			trans	-62.6	101.2	163.8	-166.7	-19.2	0	0	0	109.9	M514 S518 R595	D277-M514 WeakPolarHBondContact OD2-CE 3.49Å; D277-S518 WeakPolarHBondContact OD2-CB 3.24Å; D277-S518 PolarHBondContact OD2-OG 2.89Å; D277-R595 IonicContact OD1-NH2 2.68Å; D277-R595 PolarHBondContact OD1-NH2 2.81Å; D277-R595 IonicContact OD2-CZ 2.69Å; D277-R595 IonicContact OD2-NH2 2.75Å; D277-R595 PolarHBondContact OD2-NH2 3.11Å
278	M	96.8	Very high	96.3	Very high	41 Å²	41	26.8 Å²	26.8	20%	0.202	15%	0.147	C	C	.	.			trans	-159.8	126.9	178.6	-172.2	57.1	47.1	0	0	110.2	R276 V284 L286 Y287 V543	R276-M278 HydrophobicContact CG-CB 4.11Å; R276-M278 PolarHBondContact O-N 2.81Å; M278-V284 HydrophobicContact CG-CB 4.2Å; M278-V284 HydrophobicContact CG-CG1 4.39Å; M278-V284 HydrophobicContact CG-CG2 3.97Å; M278-L286 HydrophobicContact CB-CD2 4.28Å; M278-L286 HydrophobicContact CG-CD2 4.49Å; M278-L286 WeakPolarHBondContact O-CD2 3.23Å; M278-Y287 PolarHBondContact O-OH 2.7Å; M278-V543 HydrophobicContact CE-CG1 3.88Å
279	A	96.8	Very high	96.6	Very high	21 Å²	21	24.8 Å²	24.8	17%	0.174	14%	0.14	C	C	.	.			trans	-57.5	137	173.9	0	0	0	0	0	111.2	H281 D611	A279-H281 PolarHBondContact O-N 3.06Å; A279-H281 PolarHBondContact O-ND1 2.82Å; A279-D611 HydrophobicContact CB-CB 4.28Å
280	P	97.3	Very high	96.7	Very high	8 Å²	8	23.7 Å²	23.7	5%	0.052	13%	0.133	C	C	.	.	S	Bend	trans	-64.7	122	-169.7	-25.1	36.5	0	0	0	114.1	Y259 L286 Y287 T609 D611 V612 Q618	Y259-P280 HydrophobicContact CD2-CB 4.05Å; P280-L286 HydrophobicContact CB-CD1 4.03Å; P280-L286 HydrophobicContact CG-CD1 4.43Å; P280-Y287 HydrophobicContact CG-CE2 4.12Å; P280-T609 WeakPolarHBondContact CG-O 3.17Å; P280-D611 WeakPolarHBondContact CD-O 3.39Å; P280-V612 HydrophobicContact CG-CG1 4.01Å; P280-Q618 PolarHBondContact O-NE2 3.41Å
281	H	94.6	Very high	96.9	Very high	75 Å²	75	22.7 Å²	22.7	35%	0.347	13%	0.126	S	C	.	.			trans	-155.2	174.3	169.7	59.7	-77.3	0	0	0	110.4	Y259 A279 V284	Y259-H281 VanDerWaalsContact CB-C 3.44Å; Y259-H281 WeakPolarHBondContact CB-O 3.36Å; A279-H281 PolarHBondContact O-N 3.06Å; A279-H281 PolarHBondContact O-ND1 2.82Å; H281-V284 VanDerWaalsContact NE2-CG1 3.35Å; H281-V284 WeakPolarHBondContact NE2-CG1 3.44Å; H281-V284 WeakPolarHBondContact O-CG2 3.38Å
282	A	91.4	Very high	97.1	Very high	50 Å²	50	21.6 Å²	21.6	41%	0.413	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	157.8	178.5	0	0	0	0	0	112.7	V284	A282-V284 VanDerWaalsContact C-N 3.26Å; A282-V284 PolarHBondContact O-N 3.21Å
283	D	86.2	Confident	97.1	Very high	155 Å²	155	21.2 Å²	21.2	83%	0.829	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	18.6	172.4	-53.5	-44	0	0	0	116.8
284	V	94.9	Very high	97.1	Very high	16 Å²	16	21.1 Å²	21.1	10%	0.097	12%	0.119	C	C	.	.			trans	-124.4	145.2	176.4	-62	0	0	0	0	113.1	H258 M278 H281 A282 L286 V543	H258-V284 PolarHBondContact CD2-O 2.8Å; M278-V284 HydrophobicContact CG-CB 4.2Å; M278-V284 HydrophobicContact CG-CG1 4.39Å; M278-V284 HydrophobicContact CG-CG2 3.97Å; H281-V284 VanDerWaalsContact NE2-CG1 3.35Å; H281-V284 WeakPolarHBondContact NE2-CG1 3.44Å; H281-V284 WeakPolarHBondContact O-CG2 3.38Å; A282-V284 VanDerWaalsContact C-N 3.26Å; A282-V284 PolarHBondContact O-N 3.21Å; V284-L286 HydrophobicContact CG2-CD2 3.59Å; V284-L286 HydrophobicContact CG2-CG 4.45Å; V284-V543 HydrophobicContact CB-CG2 3.55Å; V284-V543 HydrophobicContact CG1-CG2 3.4Å; V284-V543 VanDerWaalsContact CG1-CG2 3.4Å
285	N	97.5	Very high	97.1	Very high	2 Å²	2	21 Å²	21	1%	0.011	12%	0.118	C	C	.	.			trans	-75	134	163.6	58.1	-69.3	0	0	0	109.9	T272 W274 R276 V542 V543	T272-N285 HydrophobicContact CG2-CB 4.26Å; T272-N285 VanDerWaalsContact O-CB 3.24Å; T272-N285 WeakPolarHBondContact O-CB 3.24Å; W274-N285 PolarHBondContact O-ND2 2.88Å; R276-N285 WeakPolarHBondContact CB-ND2 3.18Å; N285-V542 WeakPolarHBondContact OD1-CA 3.16Å; N285-V543 PolarHBondContact OD1-N 2.99Å
286	L	98.5	Very high	97	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	12%	0.119	C	C	.	.			trans	-109.1	-158.9	-175.7	-56.3	179.1	0	0	0	111.6	E257 N275 R276 M278 P280 V284 G288	E257-L286 HydrophobicContact CB-CB 4.19Å; E257-L286 HydrophobicContact CG-CB 4Å; E257-L286 HydrophobicContact CG-CD1 4.22Å; E257-L286 WeakPolarHBondContact O-CB 3.36Å; E257-L286 PolarHBondContact O-N 2.68Å; N275-L286 CarbonylContact C-O 3.48Å; N275-L286 WeakPolarHBondContact CA-O 3.48Å; R276-L286 PolarHBondContact N-O 2.87Å; R276-L286 CarbonylContact O-C 3.51Å; R276-L286 VanDerWaalsContact O-C 3.28Å; M278-L286 HydrophobicContact CB-CD2 4.28Å; M278-L286 HydrophobicContact CG-CD2 4.49Å; M278-L286 WeakPolarHBondContact O-CD2 3.23Å; P280-L286 HydrophobicContact CB-CD1 4.03Å; P280-L286 HydrophobicContact CG-CD1 4.43Å; V284-L286 HydrophobicContact CG2-CD2 3.59Å; V284-L286 HydrophobicContact CG2-CG 4.45Å; L286-G288 PolarHBondContact O-N 2.97Å
287	Y	98.8	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-69.1	-32	-163.4	-40.8	-78.3	0	0	0	114.3	E257 N275 R276 M278 P280 E516 R595 S596 D611	E257-Y287 WeakPolarHBondContact OE2-CB 3.35Å; E257-Y287 PolarHBondContact OE2-N 2.77Å; N275-Y287 WeakPolarHBondContact CB-O 3.36Å; N275-Y287 PolarHBondContact ND2-O 3.39Å; R276-Y287 WeakPolarHBondContact O-CD1 3.39Å; R276-Y287 PolarHBondContact O-N 3.07Å; M278-Y287 PolarHBondContact O-OH 2.7Å; P280-Y287 HydrophobicContact CG-CE2 4.12Å; Y287-E516 WeakPolarHBondContact CD1-OE1 3.17Å; Y287-R595 HydrophobicContact CD1-CG 3.67Å; Y287-R595 HydrophobicContact CD2-CG 4.23Å; Y287-R595 HydrophobicContact CE1-CG 4.12Å; Y287-R595 HydrophobicContact CG-CG 3.7Å; Y287-S596 VanDerWaalsContact O-CA 3.29Å; Y287-S596 WeakPolarHBondContact O-CA 3.22Å; Y287-S596 WeakPolarHBondContact O-CB 3.33Å; Y287-S596 PolarHBondContact O-OG 3.28Å; Y287-D611 PolarHBondContact OH-N 3.23Å
288	G	98.7	Very high	96.2	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.021	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-115	160.4	-179.4	0	0	0	0	0	116.5	E257 N275 L286 S597	E257-G288 WeakPolarHBondContact CB-O 3.48Å; E257-G288 PolarHBondContact N-O 2.98Å; E257-G288 PolarHBondContact OE2-N 3.38Å; N275-G288 VanDerWaalsContact OD1-C 3.22Å; L286-G288 PolarHBondContact O-N 2.97Å; G288-S597 CarbonylContact C-O 3.54Å; G288-S597 WeakPolarHBondContact CA-O 3.24Å; G288-S597 WeakPolarHBondContact CA-OG 3.48Å
289	S	98.9	Very high	95.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	14%	0.14	C	C	.	.			trans	-131.5	111.4	176.7	-67.9	0	0	0	0	111.4	L273 W274 N275 P291 N568 S597 F598 P599	L273-S289 VanDerWaalsContact C-OG 3.22Å; W274-S289 PolarHBondContact N-OG 3.16Å; W274-S289 VanDerWaalsContact N-OG 3.16Å; N275-S289 WeakPolarHBondContact OD1-CB 3.36Å; N275-S289 PolarHBondContact OD1-N 2.98Å; N275-S289 PolarHBondContact OD1-OG 3.08Å; S289-P291 WeakPolarHBondContact O-CD 3.49Å; S289-N568 PolarHBondContact OG-ND2 2.91Å; S289-N568 PolarHBondContact OG-OD1 2.91Å; S289-S597 PolarHBondContact N-O 2.8Å; S289-F598 WeakPolarHBondContact O-CD2 3.38Å; S289-P599 WeakPolarHBondContact O-CD 3.21Å
290	H	98.8	Very high	95.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.137	C	C	.	.			trans	-122.8	86.7	-179	-62.1	-91.5	0	0	0	110.1	L255 G256 F292 S597 P599 F629 F632	L255-H290 WeakPolarHBondContact CA-O 3.44Å; G256-H290 PolarHBondContact O-N 3.21Å; H290-F292 PolarHBondContact O-N 2.95Å; H290-S597 PolarHBondContact NE2-OG 2.84Å; H290-P599 HydrophobicContact CB-CG 4.49Å; H290-P599 WeakPolarHBondContact ND1-CD 3.45Å; H290-F629 AromaticContact NE2-CE1 3.87Å; H290-F632 HydrophobicContact CB-CD1 3.81Å; H290-F632 HydrophobicContact CB-CD2 4.1Å; H290-F632 HydrophobicContact CB-CE1 3.88Å; H290-F632 HydrophobicContact CB-CE2 4.17Å; H290-F632 HydrophobicContact CB-CG 3.96Å; H290-F632 HydrophobicContact CB-CZ 4.09Å; H290-F632 AromaticContact CD2-CD2 3.78Å; H290-F632 AromaticContact CG-CD2 3.68Å; H290-F632 AromaticContact CG-CG 3.72Å; H290-F632 AromaticContact ND1-CG 3.75Å
291	P	98.6	Very high	95.4	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	15%	0.145	C	C	.	.			trans	-71.3	48.1	176.6	29.8	-36.6	0	0	0	113.4	L273 S289 F306 L307 I313 W325	L273-P291 HydrophobicContact CD1-CB 3.85Å; S289-P291 WeakPolarHBondContact O-CD 3.49Å; P291-F306 HydrophobicContact CG-CE2 4.14Å; P291-F306 WeakPolarHBondContact O-CA 3.34Å; P291-L307 HydrophobicContact CB-CB 4.31Å; P291-L307 WeakPolarHBondContact CB-O 3.43Å; P291-L307 WeakPolarHBondContact CG-O 3.49Å; P291-L307 PolarHBondContact O-N 3.29Å; P291-I313 HydrophobicContact CB-CD1 4.26Å; P291-W325 HydrophobicContact CB-CH2 4.1Å; P291-W325 HydrophobicContact CB-CZ3 3.94Å; P291-W325 WeakPolarHBondContact O-CH2 3.14Å
292	F	98.8	Very high	95.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.4	176.4	167.8	-107.6	0	0	0	110.2	L255 H290 I294 V305 F306 F337 V345 I346 Y349 F632	L255-F292 PolarHBondContact N-O 3.09Å; H290-F292 PolarHBondContact O-N 2.95Å; F292-I294 HydrophobicContact CZ-CB 4.46Å; F292-V305 WeakPolarHBondContact CA-O 3.33Å; F292-V305 VanDerWaalsContact CD2-O 3.31Å; F292-V305 WeakPolarHBondContact CD2-O 3.46Å; F292-F306 HydrophobicContact CB-CB 4.43Å; F292-F306 HydrophobicContact CB-CD2 4.18Å; F292-F306 HydrophobicContact CD2-CB 3.99Å; F292-F337 HydrophobicContact CD2-CE2 4.36Å; F292-F337 AromaticContact CE2-CD2 4Å; F292-F337 HydrophobicContact CE2-CD2 4Å; F292-F337 HydrophobicContact CE2-CE2 4.12Å; F292-V345 HydrophobicContact CZ-CG1 4.27Å; F292-I346 HydrophobicContact CE1-CD1 3.74Å; F292-I346 HydrophobicContact CZ-CD1 3.8Å; F292-Y349 HydrophobicContact CB-CE2 4.07Å; F292-Y349 HydrophobicContact CD1-CD1 4.06Å; F292-Y349 AromaticContact CD1-CE1 3.92Å; F292-Y349 HydrophobicContact CD1-CE1 3.92Å; F292-Y349 HydrophobicContact CD1-CG 4.48Å; F292-Y349 HydrophobicContact CD2-CD1 4.42Å; F292-Y349 AromaticContact CD2-CD2 3.87Å; F292-Y349 HydrophobicContact CD2-CD2 3.87Å; F292-Y349 HydrophobicContact CD2-CE2 4.11Å; F292-Y349 HydrophobicContact CD2-CG 4.03Å; F292-Y349 AromaticContact CE1-CD1 3.97Å; F292-Y349 HydrophobicContact CE1-CD1 3.97Å; F292-Y349 HydrophobicContact CE1-CE1 4.26Å; F292-Y349 HydrophobicContact CE1-CG 4.37Å; F292-Y349 HydrophobicContact CE2-CD1 4.34Å; F292-Y349 HydrophobicContact CE2-CD2 4.16Å; F292-Y349 AromaticContact CE2-CG 3.91Å; F292-Y349 HydrophobicContact CE2-CG 3.91Å; F292-Y349 HydrophobicContact CG-CD1 4.28Å; F292-Y349 HydrophobicContact CG-CD2 4.19Å; F292-Y349 HydrophobicContact CG-CE1 4.12Å; F292-Y349 HydrophobicContact CG-CE2 4.01Å; F292-Y349 HydrophobicContact CG-CG 4.31Å; F292-Y349 AromaticContact CG-CZ 3.96Å; F292-Y349 HydrophobicContact CZ-CD1 4.11Å; F292-Y349 HydrophobicContact CZ-CG 4.08Å; F292-F632 HydrophobicContact CD1-CD1 4.24Å
293	Y	98.8	Very high	95.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.5	170.7	69.1	-96.3	0	0	0	112.2	L247 V252 S253 L255 V295 G304 V305 L323 W325	L247-Y293 HydrophobicContact CD2-CE2 3.74Å; V252-Y293 HydrophobicContact CG1-CD2 4.14Å; V252-Y293 HydrophobicContact CG1-CG 4.38Å; S253-Y293 CarbonylContact O-C 3.45Å; S253-Y293 VanDerWaalsContact O-CA 3.31Å; S253-Y293 WeakPolarHBondContact O-CA 3.4Å; L255-Y293 HydrophobicContact CD2-CD1 4.08Å; Y293-V295 HydrophobicContact CD2-CG2 3.66Å; Y293-V295 HydrophobicContact CE2-CG2 3.56Å; Y293-G304 CarbonylContact O-C 3.41Å; Y293-G304 WeakPolarHBondContact O-CA 3.47Å; Y293-V305 HydrophobicContact CD1-CB 4.15Å; Y293-V305 HydrophobicContact CD2-CB 4.49Å; Y293-V305 HydrophobicContact CE1-CB 3.61Å; Y293-V305 HydrophobicContact CE1-CG1 3.96Å; Y293-V305 HydrophobicContact CE1-CG2 4.23Å; Y293-V305 HydrophobicContact CE2-CB 3.97Å; Y293-V305 HydrophobicContact CE2-CG2 3.83Å; Y293-V305 PolarHBondContact N-O 2.65Å; Y293-V305 PolarHBondContact O-N 2.81Å; Y293-V305 WeakPolarHBondContact OH-CG2 3.33Å; Y293-L323 HydrophobicContact CD1-CD1 3.7Å; Y293-L323 HydrophobicContact CE1-CD1 3.44Å; Y293-L323 VanDerWaalsContact CE1-CD1 3.44Å; Y293-L323 HydrophobicContact CE1-CD2 4.31Å; Y293-L323 HydrophobicContact CE1-CG 4.49Å; Y293-L323 HydrophobicContact CG-CD1 4.4Å; Y293-W325 HydrophobicContact CD1-CH2 4.16Å; Y293-W325 AromaticContact CD1-CZ2 3.71Å; Y293-W325 HydrophobicContact CD1-CZ2 3.71Å; Y293-W325 HydrophobicContact CE1-CH2 4.46Å; Y293-W325 AromaticContact CE1-CZ2 3.58Å; Y293-W325 HydrophobicContact CE1-CZ2 3.58Å
294	I	98.7	Very high	96.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	140.3	170.1	-174.3	168.8	0	0	0	109.5	V252 S253 F292 A302 P342 V345 I346 L631	V252-I294 WeakPolarHBondContact CA-O 3.5Å; S253-I294 PolarHBondContact N-O 2.76Å; S253-I294 PolarHBondContact O-N 3.19Å; F292-I294 HydrophobicContact CZ-CB 4.46Å; I294-A302 HydrophobicContact CD1-CB 4.25Å; I294-A302 HydrophobicContact CG1-CB 4.31Å; I294-P342 HydrophobicContact CD1-CB 3.92Å; I294-V345 HydrophobicContact CD1-CB 3.86Å; I294-V345 HydrophobicContact CD1-CG1 3.82Å; I294-V345 HydrophobicContact CD1-CG2 4.3Å; I294-V345 HydrophobicContact CG1-CB 4.48Å; I294-V345 HydrophobicContact CG1-CG1 4.03Å; I294-I346 HydrophobicContact CD1-CD1 4.44Å; I294-L631 HydrophobicContact CG2-CD1 4.07Å
295	V	98.6	Very high	96.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.9	174.4	-174.7	0	0	0	0	108.7	L247 A248 S249 L251 V252 Y293 A302 H303	L247-V295 HydrophobicContact CD2-CG2 4.21Å; A248-V295 HydrophobicContact CB-CG1 4.37Å; S249-V295 WeakPolarHBondContact OG-CG1 3.19Å; L251-V295 WeakPolarHBondContact O-CA 3.36Å; V252-V295 HydrophobicContact CG2-CG2 4.47Å; Y293-V295 HydrophobicContact CD2-CG2 3.66Å; Y293-V295 HydrophobicContact CE2-CG2 3.56Å; V295-A302 VanDerWaalsContact O-CA 3.28Å; V295-A302 WeakPolarHBondContact O-CA 3.35Å; V295-A302 WeakPolarHBondContact O-CB 3.22Å; V295-H303 PolarHBondContact N-O 3.23Å; V295-H303 PolarHBondContact O-N 2.94Å
296	Q	97.8	Very high	96.8	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.019	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	121	172	-55.4	172.5	55.7	0	0	109.1	S249 L251 F723 R733	S249-Q296 WeakPolarHBondContact CB-O 3.41Å; S249-Q296 PolarHBondContact OG-O 3Å; L251-Q296 HydrophobicContact CB-CB 3.84Å; L251-Q296 HydrophobicContact CB-CG 4.37Å; L251-Q296 HydrophobicContact CD1-CB 4.12Å; L251-Q296 PolarHBondContact O-N 3.24Å; Q296-F723 HydrophobicContact CG-CD2 4.08Å; Q296-F723 HydrophobicContact CG-CE2 4.29Å; Q296-F723 HydrophobicContact CG-CG 4.45Å; Q296-R733 PolarHBondContact NE2-O 2.93Å
297	E	94.8	Very high	96.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.			trans	-80.3	148	173.6	-68.7	162	-129.4	0	0	110.2	R219 L226 A248 D299 G300 L301 H303	R219-E297 IonicContact CZ-OE1 3.66Å; R219-E297 IonicContact CZ-OE2 3.97Å; R219-E297 IonicContact NE-OE1 3.86Å; R219-E297 IonicContact NE-OE2 2.99Å; R219-E297 PolarHBondContact NE-OE2 3.35Å; R219-E297 IonicContact NH2-OE1 3.92Å; R219-E297 PolarHBondContact NH2-OE1 3.4Å; R219-E297 IonicContact NH2-OE2 3.75Å; L226-E297 WeakPolarHBondContact CD2-OE1 3.45Å; A248-E297 HydrophobicContact CB-CG 4.15Å; E297-D299 VanDerWaalsContact CB-OD1 3.3Å; E297-D299 WeakPolarHBondContact CB-OD1 3.17Å; E297-D299 PolarHBondContact O-N 3.24Å; E297-D299 VanDerWaalsContact O-N 3.09Å; E297-G300 PolarHBondContact O-N 3.22Å; E297-L301 WeakPolarHBondContact CA-O 3.5Å; E297-L301 HydrophobicContact CB-CB 4.08Å; E297-L301 WeakPolarHBondContact CB-O 3.3Å; E297-L301 PolarHBondContact N-O 3.23Å; E297-H303 IonicContact OE1-CG 3.84Å; E297-H303 IonicContact OE1-ND1 3.48Å; E297-H303 PolarHBondContact OE1-ND1 2.85Å; E297-H303 VanDerWaalsContact OE1-ND1 3.07Å
298	E	84.2	Confident	96.8	Very high	115 Å²	115	12.6 Å²	12.6	54%	0.537	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-20	-169.3	-59.7	164.6	118.5	0	0	114	R224 G300 R733	R224-E298 IonicContact CZ-OE2 2.92Å; R224-E298 VanDerWaalsContact CZ-OE2 3.28Å; R224-E298 IonicContact NH1-OE2 2.79Å; R224-E298 PolarHBondContact NH1-OE2 3.19Å; R224-E298 IonicContact NH2-OE2 2.77Å; R224-E298 PolarHBondContact NH2-OE2 3.01Å; E298-G300 VanDerWaalsContact C-N 3.29Å; E298-R733 PolarHBondContact O-NH1 3.4Å; E298-R733 VanDerWaalsContact O-NH1 3.08Å; E298-R733 PolarHBondContact O-NH2 3.33Å
299	D	88.9	Confident	96.8	Very high	77 Å²	77	12.6 Å²	12.6	41%	0.412	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	4.9	175.7	53.2	5	0	0	0	113.4	N222 E297 L301	N222-D299 PolarHBondContact ND2-OD2 2.75Å; E297-D299 VanDerWaalsContact CB-OD1 3.3Å; E297-D299 WeakPolarHBondContact CB-OD1 3.17Å; E297-D299 PolarHBondContact O-N 3.24Å; E297-D299 VanDerWaalsContact O-N 3.09Å; D299-L301 VanDerWaalsContact C-N 3.32Å; D299-L301 WeakPolarHBondContact OD1-CB 3.28Å; D299-L301 WeakPolarHBondContact OD1-CG 3.42Å; D299-L301 PolarHBondContact OD1-N 3.13Å
300	G	89.9	Confident	96.8	Very high	9 Å²	9	12.5 Å²	12.5	9%	0.093	7%	0.065	C	C	.	.	S	Bend	trans	83.2	8.2	-178.3	0	0	0	0	0	113.6	E297 E298 P727	E297-G300 PolarHBondContact O-N 3.22Å; E298-G300 VanDerWaalsContact C-N 3.29Å; G300-P727 WeakPolarHBondContact CA-O 3.35Å; G300-P727 WeakPolarHBondContact O-CB 3.41Å
301	L	96.7	Very high	96.8	Very high	44 Å²	44	12.5 Å²	12.5	23%	0.23	7%	0.065	C	C	.	.			trans	-81	174.1	165.8	-52.6	-171	0	0	0	110.2	E297 D299 P340	E297-L301 WeakPolarHBondContact CA-O 3.5Å; E297-L301 HydrophobicContact CB-CB 4.08Å; E297-L301 WeakPolarHBondContact CB-O 3.3Å; E297-L301 PolarHBondContact N-O 3.23Å; D299-L301 VanDerWaalsContact C-N 3.32Å; D299-L301 WeakPolarHBondContact OD1-CB 3.28Å; D299-L301 WeakPolarHBondContact OD1-CG 3.42Å; D299-L301 PolarHBondContact OD1-N 3.13Å; L301-P340 CarbonylContact C-O 3.59Å; L301-P340 WeakPolarHBondContact CA-O 3.48Å; L301-P340 WeakPolarHBondContact CB-O 3.45Å; L301-P340 HydrophobicContact CD2-CB 4.18Å
302	A	98.1	Very high	96.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159.3	171.8	0	0	0	0	0	111.7	R219 I294 V295 L338 P340 P342 V345	R219-A302 PolarHBondContact NH2-O 3.02Å; I294-A302 HydrophobicContact CD1-CB 4.25Å; I294-A302 HydrophobicContact CG1-CB 4.31Å; V295-A302 VanDerWaalsContact O-CA 3.28Å; V295-A302 WeakPolarHBondContact O-CA 3.35Å; V295-A302 WeakPolarHBondContact O-CB 3.22Å; A302-L338 CarbonylContact O-C 3.58Å; A302-P340 PolarHBondContact N-O 3.47Å; A302-P342 HydrophobicContact CB-CB 4.31Å; A302-P342 HydrophobicContact CB-CG 3.93Å; A302-V345 HydrophobicContact CB-CG2 3.92Å; A302-V345 WeakPolarHBondContact O-CG2 3.48Å
303	H	98.8	Very high	96.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	159.5	164.7	68	-81.8	0	0	0	110	L226 V295 E297 F337	L226-H303 HydrophobicContact CD1-CB 4.05Å; L226-H303 PolarHBondContact O-NE2 2.71Å; V295-H303 PolarHBondContact N-O 3.23Å; V295-H303 PolarHBondContact O-N 2.94Å; E297-H303 IonicContact OE1-CG 3.84Å; E297-H303 IonicContact OE1-ND1 3.48Å; E297-H303 PolarHBondContact OE1-ND1 2.85Å; E297-H303 VanDerWaalsContact OE1-ND1 3.07Å; H303-F337 CarbonylContact C-O 3.49Å; H303-F337 WeakPolarHBondContact CA-O 3.32Å; H303-F337 WeakPolarHBondContact CB-O 3.44Å
304	G	98.6	Very high	96.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	157.3	175.5	0	0	0	0	0	111.8	Y293 I336 F337	Y293-G304 CarbonylContact O-C 3.41Å; Y293-G304 WeakPolarHBondContact O-CA 3.47Å; G304-I336 WeakPolarHBondContact O-CA 3.35Å; G304-F337 PolarHBondContact N-O 3.39Å; G304-F337 PolarHBondContact O-N 2.84Å
305	V	98.8	Very high	96.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.8	178.7	-177.4	0	0	0	0	108.9	M227 F292 Y293 L334 Y335	M227-V305 HydrophobicContact CE-CG1 3.93Å; M227-V305 HydrophobicContact CE-CG2 4.08Å; M227-V305 HydrophobicContact CG-CG2 4.24Å; M227-V305 HydrophobicContact SD-CG1 4.19Å; M227-V305 HydrophobicContact SD-CG2 3.49Å; M227-V305 WeakPolarHBondContact SD-CG2 3.19Å; F292-V305 WeakPolarHBondContact CA-O 3.33Å; F292-V305 VanDerWaalsContact CD2-O 3.31Å; F292-V305 WeakPolarHBondContact CD2-O 3.46Å; Y293-V305 HydrophobicContact CD1-CB 4.15Å; Y293-V305 HydrophobicContact CD2-CB 4.49Å; Y293-V305 HydrophobicContact CE1-CB 3.61Å; Y293-V305 HydrophobicContact CE1-CG1 3.96Å; Y293-V305 HydrophobicContact CE1-CG2 4.23Å; Y293-V305 HydrophobicContact CE2-CB 3.97Å; Y293-V305 HydrophobicContact CE2-CG2 3.83Å; Y293-V305 PolarHBondContact N-O 2.65Å; Y293-V305 PolarHBondContact O-N 2.81Å; Y293-V305 WeakPolarHBondContact OH-CG2 3.33Å; V305-L334 HydrophobicContact CG1-CD2 4.2Å; V305-Y335 CarbonylContact C-O 3Å; V305-Y335 VanDerWaalsContact CA-O 3.3Å; V305-Y335 WeakPolarHBondContact CA-O 3.42Å
306	F	98.8	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.4	176.7	170.5	-135	0	0	0	109.4	P291 F292 L308 L334 Y335 F337 Y349 I353 P599	P291-F306 HydrophobicContact CG-CE2 4.14Å; P291-F306 WeakPolarHBondContact O-CA 3.34Å; F292-F306 HydrophobicContact CB-CB 4.43Å; F292-F306 HydrophobicContact CB-CD2 4.18Å; F292-F306 HydrophobicContact CD2-CB 3.99Å; F306-L308 HydrophobicContact CE1-CB 4.05Å; F306-L308 HydrophobicContact CE1-CD1 3.96Å; F306-L308 HydrophobicContact CZ-CB 4.11Å; F306-L308 HydrophobicContact CZ-CD1 3.64Å; F306-L308 HydrophobicContact CZ-CG 4.49Å; F306-L334 WeakPolarHBondContact O-CA 3.11Å; F306-Y335 AromaticContact CD1-CD2 3.9Å; F306-Y335 HydrophobicContact CD1-CD2 3.9Å; F306-Y335 HydrophobicContact CD1-CG 4.5Å; F306-Y335 HydrophobicContact CE1-CD2 4.45Å; F306-Y335 PolarHBondContact N-O 3.43Å; F306-Y335 PolarHBondContact O-N 3.23Å; F306-F337 HydrophobicContact CB-CE2 3.8Å; F306-F337 HydrophobicContact CB-CZ 4.29Å; F306-Y349 HydrophobicContact CB-CD2 4.19Å; F306-Y349 HydrophobicContact CB-CE2 4.18Å; F306-Y349 HydrophobicContact CD1-CD2 4.34Å; F306-Y349 HydrophobicContact CD1-CE2 4.05Å; F306-Y349 HydrophobicContact CD2-CE2 4.02Å; F306-Y349 HydrophobicContact CE1-CE2 4.43Å; F306-Y349 HydrophobicContact CE2-CE2 4.43Å; F306-Y349 HydrophobicContact CG-CD2 4.23Å; F306-Y349 AromaticContact CG-CE2 3.83Å; F306-Y349 HydrophobicContact CG-CE2 3.83Å; F306-I353 HydrophobicContact CE1-CG2 3.88Å; F306-I353 HydrophobicContact CZ-CG2 4.17Å; F306-P599 HydrophobicContact CE2-CB 3.95Å; F306-P599 HydrophobicContact CE2-CG 3.76Å; F306-P599 HydrophobicContact CZ-CB 3.92Å; F306-P599 HydrophobicContact CZ-CG 4.24Å
307	L	98.8	Very high	96.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.5	170.5	169.4	64.5	0	0	0	108.7	P291 N309 I313 W325 L332 D333 L334	P291-L307 HydrophobicContact CB-CB 4.31Å; P291-L307 WeakPolarHBondContact CB-O 3.43Å; P291-L307 WeakPolarHBondContact CG-O 3.49Å; P291-L307 PolarHBondContact O-N 3.29Å; L307-N309 VanDerWaalsContact C-N 3.28Å; L307-N309 HydrophobicContact CD1-CB 4.17Å; L307-N309 HydrophobicContact CD2-CB 4.32Å; L307-N309 HydrophobicContact CG-CB 3.89Å; L307-N309 PolarHBondContact O-N 3.47Å; L307-I313 HydrophobicContact CD2-CD1 4.36Å; L307-W325 HydrophobicContact CB-CD2 4.38Å; L307-W325 HydrophobicContact CB-CE3 4.5Å; L307-W325 HydrophobicContact CB-CH2 4.18Å; L307-W325 HydrophobicContact CB-CZ2 4.03Å; L307-W325 HydrophobicContact CB-CZ3 4.41Å; L307-W325 HydrophobicContact CD2-CB 4.16Å; L307-W325 HydrophobicContact CD2-CD2 3.65Å; L307-W325 HydrophobicContact CD2-CE3 3.62Å; L307-W325 HydrophobicContact CD2-CG 3.92Å; L307-W325 HydrophobicContact CD2-CZ3 4.2Å; L307-L332 HydrophobicContact CD1-CD2 4.1Å; L307-D333 CarbonylContact C-O 3.56Å; L307-D333 WeakPolarHBondContact CA-O 3.35Å; L307-L334 HydrophobicContact CD1-CD1 4.35Å; L307-L334 HydrophobicContact CD1-CG 4.12Å
308	L	98.6	Very high	96.8	Very high	10 Å²	10	12.8 Å²	12.8	5%	0.052	7%	0.066	C	C	.	.			trans	-78.4	76.9	178.2	-178.9	61	0	0	0	110.7	V186 L188 F306 D333 Y335	V186-L308 HydrophobicContact CB-CD1 3.68Å; V186-L308 HydrophobicContact CB-CG 3.93Å; V186-L308 HydrophobicContact CG1-CD1 3.78Å; V186-L308 HydrophobicContact CG2-CD1 4.22Å; V186-L308 HydrophobicContact CG2-CG 4.34Å; L188-L308 HydrophobicContact CD1-CD1 3.89Å; L188-L308 HydrophobicContact CD1-CD2 3.55Å; L188-L308 HydrophobicContact CD1-CG 4.36Å; L188-L308 HydrophobicContact CD2-CD1 3.82Å; L188-L308 HydrophobicContact CG-CD1 3.69Å; L188-L308 HydrophobicContact CG-CD2 3.83Å; L188-L308 HydrophobicContact CG-CG 4.43Å; F306-L308 HydrophobicContact CE1-CB 4.05Å; F306-L308 HydrophobicContact CE1-CD1 3.96Å; F306-L308 HydrophobicContact CZ-CB 4.11Å; F306-L308 HydrophobicContact CZ-CD1 3.64Å; F306-L308 HydrophobicContact CZ-CG 4.49Å; L308-D333 HydrophobicContact CB-CB 4.07Å; L308-D333 PolarHBondContact N-O 3.5Å; L308-Y335 HydrophobicContact CD2-CE2 4.32Å
309	N	98.8	Very high	97.4	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.011	6%	0.056	C	C	.	.			trans	-143.9	135.7	179	-171.9	-61.8	0	0	0	109.4	L307 N311 I313 S327 G329 I331	L307-N309 VanDerWaalsContact C-N 3.28Å; L307-N309 HydrophobicContact CD1-CB 4.17Å; L307-N309 HydrophobicContact CD2-CB 4.32Å; L307-N309 HydrophobicContact CG-CB 3.89Å; L307-N309 PolarHBondContact O-N 3.47Å; N309-N311 WeakPolarHBondContact OD1-CB 3.43Å; N309-N311 PolarHBondContact OD1-N 2.9Å; N309-N311 VanDerWaalsContact OD1-N 3.07Å; N309-I313 HydrophobicContact CB-CD1 4.04Å; N309-S327 PolarHBondContact ND2-OG 3.39Å; N309-S327 PolarHBondContact OD1-OG 2.8Å; N309-G329 PolarHBondContact ND2-O 2.74Å; N309-I331 PolarHBondContact ND2-O 3.39Å
310	S	98.8	Very high	97.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.053	C	C	.	.			trans	-118	10.1	-176.5	66	0	0	0	0	114.1	Y184 N565 N568	Y184-S310 VanDerWaalsContact CE1-OG 3.31Å; Y184-S310 WeakPolarHBondContact CE1-OG 3.45Å; Y184-S310 PolarHBondContact OH-OG 3.46Å; S310-N565 PolarHBondContact OG-O 3.39Å; S310-N568 WeakPolarHBondContact O-CB 3.43Å; S310-N568 PolarHBondContact O-ND2 3.37Å
311	N	98.9	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-70.3	176.3	167.9	-68.6	93.3	0	0	0	110.5	N309 I313 G329 G330 Y564 N565 N568	N309-N311 WeakPolarHBondContact OD1-CB 3.43Å; N309-N311 PolarHBondContact OD1-N 2.9Å; N309-N311 VanDerWaalsContact OD1-N 3.07Å; N311-I313 PolarHBondContact O-N 3.46Å; N311-G329 PolarHBondContact OD1-O 2.85Å; N311-G330 WeakPolarHBondContact OD1-CA 3.24Å; N311-G330 PolarHBondContact OD1-N 3.14Å; N311-G330 VanDerWaalsContact OD1-N 3.09Å; N311-Y564 WeakPolarHBondContact ND2-CD1 3.27Å; N311-Y564 PolarHBondContact ND2-O 3.18Å; N311-N565 PolarHBondContact ND2-OD1 3.29Å; N311-N568 PolarHBondContact O-ND2 2.64Å; N311-N568 VanDerWaalsContact O-ND2 3.1Å
312	A	98.8	Very high	98	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.047	C	C	.	.			trans	-64.4	126.2	167.5	0	0	0	0	0	109.2	W274 T328 P540 L547	W274-A312 HydrophobicContact CD2-CB 4Å; W274-A312 HydrophobicContact CE3-CB 3.46Å; W274-A312 VanDerWaalsContact CE3-CB 3.46Å; W274-A312 HydrophobicContact CZ3-CB 3.86Å; A312-T328 HydrophobicContact CB-CG2 4.13Å; A312-T328 PolarHBondContact N-OG1 3.24Å; A312-T328 WeakPolarHBondContact O-CG2 3.35Å; A312-T328 PolarHBondContact O-N 2.93Å; A312-T328 PolarHBondContact O-OG1 2.8Å; A312-T328 VanDerWaalsContact O-OG1 3.13Å; A312-P540 HydrophobicContact CB-CG 3.95Å; A312-L547 HydrophobicContact CB-CD1 4.43Å; A312-L547 HydrophobicContact CB-CD2 3.66Å
313	I	98.8	Very high	98	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.8	-178.8	-60.9	157.2	0	0	0	109	T272 L273 P291 L307 N309 N311 V315 W325 V326	T272-I313 WeakPolarHBondContact CA-O 3.5Å; L273-I313 HydrophobicContact CB-CB 4.15Å; L273-I313 HydrophobicContact CD1-CB 4.25Å; L273-I313 HydrophobicContact CD1-CG2 4.24Å; L273-I313 PolarHBondContact N-O 2.92Å; L273-I313 PolarHBondContact O-N 3.36Å; P291-I313 HydrophobicContact CB-CD1 4.26Å; L307-I313 HydrophobicContact CD2-CD1 4.36Å; N309-I313 HydrophobicContact CB-CD1 4.04Å; N311-I313 PolarHBondContact O-N 3.46Å; I313-V315 HydrophobicContact CG2-CG2 3.9Å; I313-W325 HydrophobicContact CG2-CE3 3.94Å; I313-W325 HydrophobicContact CG2-CZ3 4.43Å; I313-V326 CarbonylContact C-O 3.58Å; I313-V326 WeakPolarHBondContact CA-O 3.44Å
314	E	98.4	Very high	98	Very high	3 Å²	3	8 Å²	8	1%	0.014	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.6	162.9	-162.7	165.5	152.2	0	0	109	S270 I316 V326 Y538 P540 R541	S270-E314 WeakPolarHBondContact OG-CG 3.36Å; S270-E314 PolarHBondContact OG-OE1 3.37Å; E314-I316 HydrophobicContact CB-CD1 4.39Å; E314-I316 HydrophobicContact CG-CD1 4.08Å; E314-I316 HydrophobicContact CG-CG1 4.33Å; E314-V326 PolarHBondContact N-O 3.02Å; E314-V326 PolarHBondContact O-N 2.99Å; E314-Y538 HydrophobicContact CB-CE1 4.4Å; E314-Y538 WeakPolarHBondContact CB-OH 3.5Å; E314-Y538 PolarHBondContact OE2-OH 3.06Å; E314-P540 HydrophobicContact CB-CB 4.06Å; E314-P540 HydrophobicContact CB-CG 4.42Å; E314-P540 VanDerWaalsContact OE2-CA 3.25Å; E314-P540 WeakPolarHBondContact OE2-CA 3.44Å; E314-R541 IonicContact OE1-CZ 2.69Å; E314-R541 IonicContact OE1-NE 3.5Å; E314-R541 PolarHBondContact OE1-NE 2.66Å; E314-R541 IonicContact OE1-NH2 2.66Å; E314-R541 PolarHBondContact OE1-NH2 2.79Å; E314-R541 PolarHBondContact OE2-N 2.9Å
315	V	98.4	Very high	98	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.9	178.4	-161.9	0	0	0	0	108.6	L255 S270 W271 L273 I313 L323 T324 W325	L255-V315 HydrophobicContact CD1-CB 4.18Å; L255-V315 HydrophobicContact CD1-CG1 3.66Å; L255-V315 HydrophobicContact CD2-CG1 4.28Å; L255-V315 HydrophobicContact CD2-CG2 4.43Å; S270-V315 CarbonylContact C-O 3.54Å; S270-V315 WeakPolarHBondContact CA-O 3.01Å; W271-V315 PolarHBondContact N-O 2.9Å; W271-V315 PolarHBondContact O-N 3.38Å; L273-V315 HydrophobicContact CD1-CG2 3.7Å; L273-V315 HydrophobicContact CG-CG2 4.36Å; I313-V315 HydrophobicContact CG2-CG2 3.9Å; V315-L323 HydrophobicContact CG1-CD1 3.74Å; V315-L323 HydrophobicContact CG1-CD2 4.02Å; V315-L323 HydrophobicContact CG1-CG 3.75Å; V315-T324 WeakPolarHBondContact CA-O 3.48Å; V315-W325 HydrophobicContact CB-CE3 4.36Å; V315-W325 HydrophobicContact CB-CZ3 4.4Å; V315-W325 HydrophobicContact CG1-CD2 4.43Å; V315-W325 HydrophobicContact CG1-CE3 3.94Å; V315-W325 HydrophobicContact CG1-CZ3 4.02Å; V315-W325 HydrophobicContact CG2-CE3 3.59Å; V315-W325 HydrophobicContact CG2-CZ3 3.46Å; V315-W325 VanDerWaalsContact CG2-CZ3 3.46Å
316	I	97.7	Very high	98	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.015	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.2	-176	-54.6	96.1	0	0	0	109.7	E314 L323 T324 V326	E314-I316 HydrophobicContact CB-CD1 4.39Å; E314-I316 HydrophobicContact CG-CD1 4.08Å; E314-I316 HydrophobicContact CG-CG1 4.33Å; I316-L323 CarbonylContact O-C 3.58Å; I316-L323 VanDerWaalsContact O-CA 3.29Å; I316-L323 WeakPolarHBondContact O-CA 3.26Å; I316-T324 PolarHBondContact N-O 2.78Å; I316-T324 PolarHBondContact O-N 3.29Å; I316-V326 HydrophobicContact CD1-CG2 3.84Å
317	L	97.8	Very high	98	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.6	177.8	-57.1	178.5	0	0	0	109.5	L255 L264 D265 L266 W268 T269 L323	L255-L317 HydrophobicContact CD1-CD2 4.34Å; L264-L317 HydrophobicContact CB-CD1 3.81Å; L264-L317 HydrophobicContact CD1-CD1 3.89Å; D265-L317 VanDerWaalsContact O-CD1 3.3Å; D265-L317 WeakPolarHBondContact O-CD1 3.23Å; L266-L317 HydrophobicContact CB-CB 4.44Å; L266-L317 HydrophobicContact CD1-CD1 4.39Å; L266-L317 HydrophobicContact CG-CB 4.18Å; L266-L317 CarbonylContact O-C 3.58Å; W268-L317 CarbonylContact C-O 3.53Å; W268-L317 WeakPolarHBondContact CA-O 3.48Å; W268-L317 PolarHBondContact N-O 2.9Å; T269-L317 PolarHBondContact N-O 3.44Å; T269-L317 PolarHBondContact O-N 2.8Å; L317-L323 HydrophobicContact CD2-CB 4.02Å; L317-L323 HydrophobicContact CD2-CD1 3.75Å; L317-L323 HydrophobicContact CD2-CG 3.94Å
318	Q	96.5	Very high	98	Very high	4 Å²	4	8.1 Å²	8.1	2%	0.019	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.8	180	67.6	-173.5	91.8	0	0	112.6	E85 R87 F88 L266 W268 T320 P321 A322	E85-Q318 PolarHBondContact O-NE2 3.24Å; R87-Q318 PolarHBondContact O-NE2 3.23Å; R87-Q318 VanDerWaalsContact O-NE2 3.16Å; F88-Q318 VanDerWaalsContact CD1-OE1 3.26Å; L266-Q318 CarbonylContact O-C 3.21Å; L266-Q318 WeakPolarHBondContact O-CA 3.03Å; L266-Q318 PolarHBondContact O-N 3Å; W268-Q318 HydrophobicContact CD2-CB 4.24Å; W268-Q318 HydrophobicContact CE3-CB 3.77Å; W268-Q318 HydrophobicContact CH2-CB 3.94Å; W268-Q318 HydrophobicContact CZ2-CB 4.38Å; W268-Q318 HydrophobicContact CZ3-CB 3.59Å; W268-Q318 HydrophobicContact CZ3-CG 4.4Å; Q318-T320 VanDerWaalsContact C-N 3.3Å; Q318-T320 PolarHBondContact O-N 2.84Å; Q318-T320 VanDerWaalsContact O-N 3.09Å; Q318-P321 WeakPolarHBondContact O-CA 3.31Å; Q318-A322 HydrophobicContact CG-CB 3.71Å; Q318-A322 PolarHBondContact N-O 3.19Å; Q318-A322 PolarHBondContact O-N 3.14Å
319	P	95.8	Very high	98	Very high	50 Å²	50	7.7 Å²	7.7	33%	0.325	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.6	-164.3	-24.1	34.9	0	0	0	117.9	E85 L266 P321	E85-P319 HydrophobicContact CB-CB 4.3Å; E85-P319 HydrophobicContact CG-CB 4.28Å; L266-P319 WeakPolarHBondContact O-CD 3.28Å; L266-P319 VanDerWaalsContact O-N 3.15Å; P319-P321 VanDerWaalsContact C-CA 3.41Å; P319-P321 VanDerWaalsContact O-N 3.17Å
320	T	93.9	Very high	98	Very high	58 Å²	58	7.7 Å²	7.7	36%	0.356	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.9	-171.2	-65.6	0	0	0	0	117.9	E85 S86 Q318	E85-T320 PolarHBondContact O-OG1 3.01Å; S86-T320 WeakPolarHBondContact CA-OG1 3.36Å; S86-T320 PolarHBondContact N-OG1 3.01Å; S86-T320 WeakPolarHBondContact OG-CG2 3Å; S86-T320 PolarHBondContact OG-OG1 3.28Å; Q318-T320 VanDerWaalsContact C-N 3.3Å; Q318-T320 PolarHBondContact O-N 2.84Å; Q318-T320 VanDerWaalsContact O-N 3.09Å
321	P	97	Very high	98	Very high	29 Å²	29	7.9 Å²	7.9	19%	0.188	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	cis	-77.7	145.4	-11.6	32.1	-34.7	0	0	0	113.3	L247 S249 L266 Q318 P319	L247-P321 HydrophobicContact CB-CB 4.24Å; L247-P321 HydrophobicContact CB-CG 4.15Å; L247-P321 HydrophobicContact CD1-CB 4.4Å; L247-P321 PolarHBondContact N-O 3.07Å; S249-P321 WeakPolarHBondContact O-CG 3.45Å; L266-P321 HydrophobicContact CD2-CB 3.39Å; Q318-P321 WeakPolarHBondContact O-CA 3.31Å; P319-P321 VanDerWaalsContact C-CA 3.41Å; P319-P321 VanDerWaalsContact O-N 3.17Å
322	A	98.3	Very high	98	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	160.4	175	0	0	0	0	0	112.8	F88 T245 Q318	F88-A322 HydrophobicContact CE1-CB 3.89Å; F88-A322 HydrophobicContact CZ-CB 3.62Å; T245-A322 CarbonylContact O-C 3.58Å; T245-A322 VanDerWaalsContact O-CA 3.26Å; T245-A322 WeakPolarHBondContact O-CA 3.15Å; T245-A322 VanDerWaalsContact O-CB 3.26Å; T245-A322 WeakPolarHBondContact O-CB 3.33Å; Q318-A322 HydrophobicContact CG-CB 3.71Å; Q318-A322 PolarHBondContact N-O 3.19Å; Q318-A322 PolarHBondContact O-N 3.14Å
323	L	98.6	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.5	176.9	179.3	152.7	0	0	0	109.8	S244 T245 L247 L255 Y293 V315 I316 L317 W325	S244-L323 CarbonylContact C-O 3.56Å; S244-L323 VanDerWaalsContact CA-O 3.24Å; S244-L323 WeakPolarHBondContact CA-O 3.3Å; T245-L323 HydrophobicContact CG2-CB 4.24Å; T245-L323 PolarHBondContact N-O 2.96Å; T245-L323 PolarHBondContact O-N 2.04Å; L247-L323 HydrophobicContact CD1-CB 4.16Å; L247-L323 HydrophobicContact CD2-CB 4.14Å; L247-L323 HydrophobicContact CG-CB 4.3Å; L255-L323 HydrophobicContact CD1-CD1 4.23Å; Y293-L323 HydrophobicContact CD1-CD1 3.7Å; Y293-L323 HydrophobicContact CE1-CD1 3.44Å; Y293-L323 VanDerWaalsContact CE1-CD1 3.44Å; Y293-L323 HydrophobicContact CE1-CD2 4.31Å; Y293-L323 HydrophobicContact CE1-CG 4.49Å; Y293-L323 HydrophobicContact CG-CD1 4.4Å; V315-L323 HydrophobicContact CG1-CD1 3.74Å; V315-L323 HydrophobicContact CG1-CD2 4.02Å; V315-L323 HydrophobicContact CG1-CG 3.75Å; I316-L323 CarbonylContact O-C 3.58Å; I316-L323 VanDerWaalsContact O-CA 3.29Å; I316-L323 WeakPolarHBondContact O-CA 3.26Å; L317-L323 HydrophobicContact CD2-CB 4.02Å; L317-L323 HydrophobicContact CD2-CD1 3.75Å; L317-L323 HydrophobicContact CD2-CG 3.94Å; L323-W325 HydrophobicContact CD2-CD2 3.84Å; L323-W325 HydrophobicContact CD2-CG 3.82Å; L323-W325 HydrophobicContact CD2-CZ2 4.31Å
324	T	98.8	Very high	97.9	Very high	8 Å²	8	8.5 Å²	8.5	5%	0.049	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.9	168.1	-60.6	0	0	0	0	110.4	Q242 S244 V315 I316 V326	Q242-T324 HydrophobicContact CG-CG2 3.73Å; S244-T324 WeakPolarHBondContact CB-OG1 3.36Å; S244-T324 WeakPolarHBondContact OG-CG2 3.3Å; S244-T324 PolarHBondContact OG-OG1 2.83Å; V315-T324 WeakPolarHBondContact CA-O 3.48Å; I316-T324 PolarHBondContact N-O 2.78Å; I316-T324 PolarHBondContact O-N 3.29Å; T324-V326 HydrophobicContact CG2-CG2 4.06Å
325	W	98.7	Very high	97.9	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.008	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135	166.3	-60.3	107.2	0	0	0	109.6	Q242 L243 L255 L273 P291 Y293 L307 I313 V315 L323	Q242-W325 VanDerWaalsContact CA-O 3.29Å; Q242-W325 WeakPolarHBondContact CA-O 3.25Å; L243-W325 PolarHBondContact N-O 2.85Å; L243-W325 VanDerWaalsContact N-O 3.16Å; L243-W325 PolarHBondContact O-N 2.79Å; L255-W325 HydrophobicContact CD2-CH2 3.56Å; L255-W325 HydrophobicContact CD2-CZ2 4.48Å; L255-W325 HydrophobicContact CD2-CZ3 3.98Å; L273-W325 HydrophobicContact CD1-CZ3 4.34Å; P291-W325 HydrophobicContact CB-CH2 4.1Å; P291-W325 HydrophobicContact CB-CZ3 3.94Å; P291-W325 WeakPolarHBondContact O-CH2 3.14Å; Y293-W325 HydrophobicContact CD1-CH2 4.16Å; Y293-W325 AromaticContact CD1-CZ2 3.71Å; Y293-W325 HydrophobicContact CD1-CZ2 3.71Å; Y293-W325 HydrophobicContact CE1-CH2 4.46Å; Y293-W325 AromaticContact CE1-CZ2 3.58Å; Y293-W325 HydrophobicContact CE1-CZ2 3.58Å; L307-W325 HydrophobicContact CB-CD2 4.38Å; L307-W325 HydrophobicContact CB-CE3 4.5Å; L307-W325 HydrophobicContact CB-CH2 4.18Å; L307-W325 HydrophobicContact CB-CZ2 4.03Å; L307-W325 HydrophobicContact CB-CZ3 4.41Å; L307-W325 HydrophobicContact CD2-CB 4.16Å; L307-W325 HydrophobicContact CD2-CD2 3.65Å; L307-W325 HydrophobicContact CD2-CE3 3.62Å; L307-W325 HydrophobicContact CD2-CG 3.92Å; L307-W325 HydrophobicContact CD2-CZ3 4.2Å; I313-W325 HydrophobicContact CG2-CE3 3.94Å; I313-W325 HydrophobicContact CG2-CZ3 4.43Å; V315-W325 HydrophobicContact CB-CE3 4.36Å; V315-W325 HydrophobicContact CB-CZ3 4.4Å; V315-W325 HydrophobicContact CG1-CD2 4.43Å; V315-W325 HydrophobicContact CG1-CE3 3.94Å; V315-W325 HydrophobicContact CG1-CZ3 4.02Å; V315-W325 HydrophobicContact CG2-CE3 3.59Å; V315-W325 HydrophobicContact CG2-CZ3 3.46Å; V315-W325 VanDerWaalsContact CG2-CZ3 3.46Å; L323-W325 HydrophobicContact CD2-CD2 3.84Å; L323-W325 HydrophobicContact CD2-CG 3.82Å; L323-W325 HydrophobicContact CD2-CZ2 4.31Å
326	V	98.6	Very high	97.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	103.6	165.7	-170.2	0	0	0	0	109	R92 Y240 L241 Q242 I313 E314 I316 T324 Y538	R92-V326 HydrophobicContact CG-CG2 4.38Å; Y240-V326 HydrophobicContact CD2-CG1 3.93Å; Y240-V326 HydrophobicContact CE1-CG1 4.16Å; Y240-V326 HydrophobicContact CE2-CG1 3.4Å; Y240-V326 VanDerWaalsContact CE2-CG1 3.4Å; Y240-V326 HydrophobicContact CG-CG1 4.5Å; L241-V326 CarbonylContact O-C 3.58Å; L241-V326 VanDerWaalsContact O-CA 3.29Å; L241-V326 WeakPolarHBondContact O-CA 3.32Å; Q242-V326 HydrophobicContact CG-CG2 4.29Å; I313-V326 CarbonylContact C-O 3.58Å; I313-V326 WeakPolarHBondContact CA-O 3.44Å; E314-V326 PolarHBondContact N-O 3.02Å; E314-V326 PolarHBondContact O-N 2.99Å; I316-V326 HydrophobicContact CD1-CG2 3.84Å; T324-V326 HydrophobicContact CG2-CG2 4.06Å; V326-Y538 HydrophobicContact CB-CE1 4Å; V326-Y538 HydrophobicContact CG1-CD1 3.73Å; V326-Y538 HydrophobicContact CG1-CE1 3.33Å
327	S	98.7	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.5	175.4	-177.6	0	0	0	0	111.5	Y240 L241 N309 G329	Y240-S327 WeakPolarHBondContact CA-O 3.43Å; L241-S327 PolarHBondContact N-O 3.39Å; L241-S327 PolarHBondContact O-N 3.37Å; N309-S327 PolarHBondContact ND2-OG 3.39Å; N309-S327 PolarHBondContact OD1-OG 2.8Å; S327-G329 VanDerWaalsContact C-N 3.28Å; S327-G329 PolarHBondContact O-N 2.7Å; S327-G329 PolarHBondContact OG-N 3.3Å; S327-G329 PolarHBondContact OG-O 3.2Å; S327-G329 VanDerWaalsContact OG-O 3.11Å
328	T	98.7	Very high	97.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-82	2.4	176.3	63.5	0	0	0	0	114.3	Q239 A312 Y538 P540 Y564	Q239-T328 CarbonylContact C-O 3.48Å; Q239-T328 WeakPolarHBondContact CA-O 3.38Å; A312-T328 HydrophobicContact CB-CG2 4.13Å; A312-T328 PolarHBondContact N-OG1 3.24Å; A312-T328 WeakPolarHBondContact O-CG2 3.35Å; A312-T328 PolarHBondContact O-N 2.93Å; A312-T328 PolarHBondContact O-OG1 2.8Å; A312-T328 VanDerWaalsContact O-OG1 3.13Å; T328-Y538 HydrophobicContact CG2-CD1 4.15Å; T328-P540 HydrophobicContact CG2-CG 3.7Å; T328-Y564 WeakPolarHBondContact CB-OH 3.4Å; T328-Y564 WeakPolarHBondContact O-CE1 3.49Å; T328-Y564 PolarHBondContact O-OH 3.3Å
329	G	98.4	Very high	97.8	Very high	2 Å²	2	8.9 Å²	8.9	2%	0.021	6%	0.055	C	C	.	.	S	Bend	trans	-179.3	-166.2	179.9	0	0	0	0	0	114.7	L241 N309 N311 S327	L241-G329 WeakPolarHBondContact CD1-O 3.33Å; N309-G329 PolarHBondContact ND2-O 2.74Å; N311-G329 PolarHBondContact OD1-O 2.85Å; S327-G329 VanDerWaalsContact C-N 3.28Å; S327-G329 PolarHBondContact O-N 2.7Å; S327-G329 PolarHBondContact OG-N 3.3Å; S327-G329 PolarHBondContact OG-O 3.2Å; S327-G329 VanDerWaalsContact OG-O 3.11Å
330	G	98.4	Very high	97.7	Very high	2 Å²	2	9.4 Å²	9.4	2%	0.021	6%	0.058	C	C	.	.	S	Bend	trans	69.5	-135.7	178.1	0	0	0	0	0	112.9	R183 Y184 N311	R183-G330 PolarHBondContact NE-O 3.16Å; R183-G330 PolarHBondContact NH2-O 2.91Å; R183-G330 VanDerWaalsContact NH2-O 3.09Å; Y184-G330 CarbonylContact O-C 3.55Å; Y184-G330 VanDerWaalsContact O-CA 3.3Å; Y184-G330 WeakPolarHBondContact O-CA 3.39Å; N311-G330 WeakPolarHBondContact OD1-CA 3.24Å; N311-G330 PolarHBondContact OD1-N 3.14Å; N311-G330 VanDerWaalsContact OD1-N 3.09Å
331	I	98.7	Very high	97.8	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.015	6%	0.055	C	C	.	.			trans	-134.7	173.6	179.2	62.1	165	0	0	0	111	V175 K177 R183 E185 N309 D333	V175-I331 HydrophobicContact CG1-CD1 4.18Å; K177-I331 HydrophobicContact CD-CD1 4.37Å; K177-I331 HydrophobicContact CG-CB 4.49Å; K177-I331 HydrophobicContact CG-CD1 4.06Å; K177-I331 HydrophobicContact CG-CG2 4.11Å; R183-I331 HydrophobicContact CB-CG2 3.82Å; E185-I331 HydrophobicContact CB-CD1 4.47Å; E185-I331 HydrophobicContact CG-CD1 3.8Å; E185-I331 HydrophobicContact CG-CG1 4.33Å; N309-I331 PolarHBondContact ND2-O 3.39Å; I331-D333 HydrophobicContact CD1-CB 3.86Å; I331-D333 HydrophobicContact CG1-CB 4.15Å
332	L	98.8	Very high	97.8	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.4	166.1	-63	171.1	0	0	0	108.6	V175 L176 L234 F236 L241 L243 L307 L334	V175-L332 WeakPolarHBondContact CA-O 3.26Å; L176-L332 HydrophobicContact CB-CB 4.18Å; L176-L332 HydrophobicContact CD1-CB 4.27Å; L176-L332 HydrophobicContact CD1-CD1 3.91Å; L176-L332 PolarHBondContact N-O 2.68Å; L234-L332 HydrophobicContact CD1-CD1 3.68Å; F236-L332 HydrophobicContact CD2-CD1 4.09Å; F236-L332 HydrophobicContact CD2-CG 4.42Å; F236-L332 HydrophobicContact CE2-CB 4.49Å; F236-L332 HydrophobicContact CE2-CD1 4.31Å; F236-L332 HydrophobicContact CE2-CG 4.19Å; L241-L332 HydrophobicContact CB-CD2 4.04Å; L241-L332 HydrophobicContact CB-CG 4.17Å; L241-L332 HydrophobicContact CD1-CD2 4.45Å; L241-L332 HydrophobicContact CD1-CG 4.26Å; L243-L332 HydrophobicContact CB-CD1 4.07Å; L307-L332 HydrophobicContact CD1-CD2 4.1Å; L332-L334 HydrophobicContact CB-CD1 3.99Å
333	D	98.3	Very high	97.8	Very high	12 Å²	12	8.5 Å²	8.5	6%	0.064	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	107.8	-179.2	-177.8	-48	0	0	0	106.4	H173 L307 L308 I331 Y335	H173-D333 IonicContact CD2-OD1 3.2Å; H173-D333 IonicContact NE2-OD1 2.69Å; H173-D333 PolarHBondContact NE2-OD1 3.46Å; H173-D333 IonicContact NE2-OD2 3.37Å; L307-D333 CarbonylContact C-O 3.56Å; L307-D333 WeakPolarHBondContact CA-O 3.35Å; L308-D333 HydrophobicContact CB-CB 4.07Å; L308-D333 PolarHBondContact N-O 3.5Å; I331-D333 HydrophobicContact CD1-CB 3.86Å; I331-D333 HydrophobicContact CG1-CB 4.15Å; D333-Y335 WeakPolarHBondContact OD1-CE2 3.43Å
334	L	98.2	Very high	97.7	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.2	-168.8	-68.3	105	0	0	0	111.8	H173 V174 L243 V305 F306 L307 L332 I336	H173-L334 CarbonylContact C-O 3.46Å; H173-L334 VanDerWaalsContact CA-O 3.32Å; H173-L334 WeakPolarHBondContact CA-O 3.25Å; V174-L334 PolarHBondContact N-O 2.98Å; V174-L334 PolarHBondContact O-N 3.23Å; L243-L334 HydrophobicContact CD2-CD1 3.73Å; L243-L334 HydrophobicContact CD2-CD2 3.91Å; V305-L334 HydrophobicContact CG1-CD2 4.2Å; F306-L334 WeakPolarHBondContact O-CA 3.11Å; L307-L334 HydrophobicContact CD1-CD1 4.35Å; L307-L334 HydrophobicContact CD1-CG 4.12Å; L332-L334 HydrophobicContact CB-CD1 3.99Å; L334-I336 HydrophobicContact CB-CD1 4.22Å
335	Y	98.3	Very high	97.7	Very high	16 Å²	16	9 Å²	9	6%	0.063	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.8	166.8	-66.1	-96.2	0	0	0	110.3	E167 F172 H173 V305 F306 L308 D333 F337 V352	E167-Y335 HydrophobicContact CG-CE1 4.24Å; F172-Y335 CarbonylContact O-C 3.57Å; F172-Y335 WeakPolarHBondContact O-CA 3.43Å; H173-Y335 HydrophobicContact CB-CD1 4.07Å; H173-Y335 HydrophobicContact CB-CE1 4.14Å; H173-Y335 AromaticContact CD2-CZ 3.96Å; H173-Y335 AromaticContact CE1-CE1 3.92Å; H173-Y335 AromaticContact CE1-CZ 3.55Å; H173-Y335 PolarHBondContact CE1-OH 2.88Å; H173-Y335 VanDerWaalsContact CE1-OH 3.3Å; H173-Y335 AromaticContact CG-CE1 3.71Å; H173-Y335 AromaticContact ND1-CE1 3.61Å; H173-Y335 AromaticContact ND1-CZ 3.74Å; H173-Y335 AromaticContact NE2-CE2 3.9Å; H173-Y335 AromaticContact NE2-CZ 3.72Å; V305-Y335 CarbonylContact C-O 3Å; V305-Y335 VanDerWaalsContact CA-O 3.3Å; V305-Y335 WeakPolarHBondContact CA-O 3.42Å; F306-Y335 AromaticContact CD1-CD2 3.9Å; F306-Y335 HydrophobicContact CD1-CD2 3.9Å; F306-Y335 HydrophobicContact CD1-CG 4.5Å; F306-Y335 HydrophobicContact CE1-CD2 4.45Å; F306-Y335 PolarHBondContact N-O 3.43Å; F306-Y335 PolarHBondContact O-N 3.23Å; L308-Y335 HydrophobicContact CD2-CE2 4.32Å; D333-Y335 WeakPolarHBondContact OD1-CE2 3.43Å; Y335-F337 VanDerWaalsContact CB-CZ 3.4Å; Y335-F337 HydrophobicContact CD1-CE1 4.48Å; Y335-F337 HydrophobicContact CG-CE1 4.5Å; Y335-F337 HydrophobicContact CG-CZ 4.2Å; Y335-V352 HydrophobicContact CD1-CG1 4.25Å; Y335-V352 HydrophobicContact CD1-CG2 3.86Å; Y335-V352 HydrophobicContact CD2-CG1 4.34Å; Y335-V352 HydrophobicContact CE1-CG1 3.93Å; Y335-V352 HydrophobicContact CE1-CG2 4.05Å; Y335-V352 HydrophobicContact CE2-CG1 4.03Å; Y335-V352 HydrophobicContact CG-CG1 4.44Å; Y335-V352 HydrophobicContact CG-CG2 4.4Å
336	I	98.4	Very high	97.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.4	179.4	-55.4	83.8	0	0	0	108.3	C171 F172 V217 M227 G304 L334 L338	C171-I336 WeakPolarHBondContact CA-O 3.39Å; F172-I336 HydrophobicContact CB-CB 4.31Å; F172-I336 HydrophobicContact CD1-CB 4.47Å; F172-I336 HydrophobicContact CD1-CD1 3.87Å; F172-I336 HydrophobicContact CD1-CG1 4.42Å; F172-I336 HydrophobicContact CE1-CD1 4.4Å; F172-I336 PolarHBondContact N-O 3.35Å; F172-I336 PolarHBondContact O-N 3.44Å; V217-I336 HydrophobicContact CG1-CG2 4.46Å; M227-I336 HydrophobicContact SD-CG1 3.55Å; M227-I336 VanDerWaalsContact SD-CG1 3.55Å; M227-I336 HydrophobicContact SD-CG2 4.21Å; G304-I336 WeakPolarHBondContact O-CA 3.35Å; L334-I336 HydrophobicContact CB-CD1 4.22Å; I336-L338 HydrophobicContact CG2-CD2 4.36Å
337	F	98.3	Very high	97.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.5	-172.5	-52.2	-63.6	0	0	0	110.5	C171 F292 H303 G304 F306 Y335 V345 Q348 Y349 V352	C171-F337 HydrophobicContact CB-CD1 4.43Å; F292-F337 HydrophobicContact CD2-CE2 4.36Å; F292-F337 AromaticContact CE2-CD2 4Å; F292-F337 HydrophobicContact CE2-CD2 4Å; F292-F337 HydrophobicContact CE2-CE2 4.12Å; H303-F337 CarbonylContact C-O 3.49Å; H303-F337 WeakPolarHBondContact CA-O 3.32Å; H303-F337 WeakPolarHBondContact CB-O 3.44Å; G304-F337 PolarHBondContact N-O 3.39Å; G304-F337 PolarHBondContact O-N 2.84Å; F306-F337 HydrophobicContact CB-CE2 3.8Å; F306-F337 HydrophobicContact CB-CZ 4.29Å; Y335-F337 VanDerWaalsContact CB-CZ 3.4Å; Y335-F337 HydrophobicContact CD1-CE1 4.48Å; Y335-F337 HydrophobicContact CG-CE1 4.5Å; Y335-F337 HydrophobicContact CG-CZ 4.2Å; F337-V345 HydrophobicContact CB-CG1 4.22Å; F337-Q348 HydrophobicContact CB-CB 3.92Å; F337-Q348 HydrophobicContact CD1-CB 3.66Å; F337-Q348 HydrophobicContact CE1-CB 4.49Å; F337-Q348 HydrophobicContact CG-CB 4.01Å; F337-Y349 AromaticContact CE2-CD2 3.83Å; F337-Y349 HydrophobicContact CE2-CD2 3.83Å; F337-Y349 HydrophobicContact CE2-CG 4.23Å; F337-Y349 HydrophobicContact CZ-CD2 4.1Å; F337-V352 HydrophobicContact CE1-CG2 3.63Å; F337-V352 HydrophobicContact CZ-CG2 3.86Å
338	L	96.9	Very high	97.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.			trans	-88	-4.2	-167.6	-85.3	-64.9	0	0	0	115.3	S170 L203 Y204 R219 L226 A302 I336 P340 Q348	S170-L338 WeakPolarHBondContact O-CB 3.03Å; S170-L338 PolarHBondContact O-N 3.45Å; L203-L338 HydrophobicContact CB-CB 4.42Å; L203-L338 HydrophobicContact CB-CG 4.43Å; Y204-L338 HydrophobicContact CD1-CD2 3.61Å; Y204-L338 HydrophobicContact CD1-CG 3.88Å; Y204-L338 HydrophobicContact CE1-CD2 4.32Å; Y204-L338 HydrophobicContact CG-CD2 4.2Å; Y204-L338 HydrophobicContact CG-CG 4.47Å; R219-L338 PolarHBondContact NH1-O 3.28Å; R219-L338 PolarHBondContact NH2-O 3.36Å; L226-L338 HydrophobicContact CD1-CD1 3.25Å; A302-L338 CarbonylContact O-C 3.58Å; I336-L338 HydrophobicContact CG2-CD2 4.36Å; L338-P340 WeakPolarHBondContact O-CA 3.23Å; L338-Q348 VanDerWaalsContact N-OE1 3.13Å
339	G	95	Very high	97.5	Very high	3 Å²	3	13 Å²	13	3%	0.031	7%	0.069	C	C	.	.			trans	74	-129.6	-177.6	0	0	0	0	0	112.5	Q348	G339-Q348 PolarHBondContact O-NE2 2.74Å
340	P	93.3	Very high	97.4	Very high	61 Å²	61	13.1 Å²	13.1	40%	0.396	7%	0.069	S	C	.	.	S	Bend	cis	-90.6	-24.4	27.2	33.8	-37	0	0	0	115	L301 A302 L338	L301-P340 CarbonylContact C-O 3.59Å; L301-P340 WeakPolarHBondContact CA-O 3.48Å; L301-P340 WeakPolarHBondContact CB-O 3.45Å; L301-P340 HydrophobicContact CD2-CB 4.18Å; A302-P340 PolarHBondContact N-O 3.47Å; L338-P340 WeakPolarHBondContact O-CA 3.23Å
341	D	95.8	Very high	97.2	Very high	54 Å²	54	17.1 Å²	17.1	29%	0.289	9%	0.087	S	C	.	.	S	Bend	trans	-92.8	163.1	174.7	67.3	88.5	0	0	0	112	Q343 S344 V345	D341-Q343 VanDerWaalsContact C-N 3.33Å; D341-Q343 PolarHBondContact O-N 3.43Å; D341-Q343 WeakPolarHBondContact OD1-CA 3.23Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; D341-Q343 PolarHBondContact OD1-N 3.19Å; D341-S344 PolarHBondContact O-N 3.46Å; D341-S344 VanDerWaalsContact O-N 3.16Å; D341-S344 PolarHBondContact OD1-N 2.94Å; D341-S344 PolarHBondContact OD1-OG 2.76Å; D341-S344 WeakPolarHBondContact OD2-CB 3.29Å; D341-S344 PolarHBondContact OD2-OG 2.91Å; D341-V345 PolarHBondContact O-N 3.06Å; D341-V345 VanDerWaalsContact O-N 3.08Å
342	P	97.4	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-34.5	-178.3	-25.3	33.9	0	0	0	115.3	I294 A302 V345 I346 F723 M724 P727	I294-P342 HydrophobicContact CD1-CB 3.92Å; A302-P342 HydrophobicContact CB-CB 4.31Å; A302-P342 HydrophobicContact CB-CG 3.93Å; P342-V345 WeakPolarHBondContact O-CB 3.41Å; P342-V345 PolarHBondContact O-N 2.98Å; P342-I346 PolarHBondContact O-N 2.86Å; P342-F723 HydrophobicContact CB-CD2 4.11Å; P342-F723 HydrophobicContact CB-CE2 4.05Å; P342-F723 HydrophobicContact CG-CD2 4.09Å; P342-F723 HydrophobicContact CG-CE2 4.47Å; P342-M724 HydrophobicContact CB-CG 4.21Å; P342-P727 HydrophobicContact CG-CB 4.12Å
343	Q	97.2	Very high	96.9	Very high	13 Å²	13	17.3 Å²	17.3	6%	0.061	9%	0.088	C	C	.	.	H	α-helix	trans	-73.4	-32.7	178.7	176.9	59.4	89.6	0	0	111	D341 I346 R347 A715 T717	D341-Q343 VanDerWaalsContact C-N 3.33Å; D341-Q343 PolarHBondContact O-N 3.43Å; D341-Q343 WeakPolarHBondContact OD1-CA 3.23Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.44Å; D341-Q343 PolarHBondContact OD1-N 3.19Å; Q343-I346 PolarHBondContact O-N 3.18Å; Q343-R347 PolarHBondContact O-N 2.86Å; Q343-A715 PolarHBondContact NE2-O 2.54Å; Q343-T717 PolarHBondContact OE1-OG1 3.34Å
344	S	97.4	Very high	96.7	Very high	19 Å²	19	17.6 Å²	17.6	13%	0.133	9%	0.094	C	C	.	.	H	α-helix	trans	-67.6	-32.8	170.2	-68.1	0	0	0	0	113.1	D341 R347 Q348	D341-S344 PolarHBondContact O-N 3.46Å; D341-S344 VanDerWaalsContact O-N 3.16Å; D341-S344 PolarHBondContact OD1-N 2.94Å; D341-S344 PolarHBondContact OD1-OG 2.76Å; D341-S344 WeakPolarHBondContact OD2-CB 3.29Å; D341-S344 PolarHBondContact OD2-OG 2.91Å; S344-R347 PolarHBondContact O-N 2.89Å; S344-R347 PolarHBondContact OG-NH1 2.93Å; S344-Q348 VanDerWaalsContact O-CD 3.27Å; S344-Q348 VanDerWaalsContact O-CG 3.23Å; S344-Q348 WeakPolarHBondContact O-CG 3.35Å; S344-Q348 PolarHBondContact O-N 2.67Å
345	V	98.4	Very high	96.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-49.3	171.2	174.2	0	0	0	0	110.8	F292 I294 A302 F337 D341 P342 R347 Q348 Y349	F292-V345 HydrophobicContact CZ-CG1 4.27Å; I294-V345 HydrophobicContact CD1-CB 3.86Å; I294-V345 HydrophobicContact CD1-CG1 3.82Å; I294-V345 HydrophobicContact CD1-CG2 4.3Å; I294-V345 HydrophobicContact CG1-CB 4.48Å; I294-V345 HydrophobicContact CG1-CG1 4.03Å; A302-V345 HydrophobicContact CB-CG2 3.92Å; A302-V345 WeakPolarHBondContact O-CG2 3.48Å; F337-V345 HydrophobicContact CB-CG1 4.22Å; D341-V345 PolarHBondContact O-N 3.06Å; D341-V345 VanDerWaalsContact O-N 3.08Å; P342-V345 WeakPolarHBondContact O-CB 3.41Å; P342-V345 PolarHBondContact O-N 2.98Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.49Å; V345-Q348 PolarHBondContact O-N 3.16Å; V345-Y349 PolarHBondContact O-N 2.97Å
346	I	98.1	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.8	-42.8	177.6	-59.6	-44.9	0	0	0	110.9	F292 I294 P342 Q343 Q348 Y349 L350 L631 T717 M724	F292-I346 HydrophobicContact CE1-CD1 3.74Å; F292-I346 HydrophobicContact CZ-CD1 3.8Å; I294-I346 HydrophobicContact CD1-CD1 4.44Å; P342-I346 PolarHBondContact O-N 2.86Å; Q343-I346 PolarHBondContact O-N 3.18Å; I346-Q348 VanDerWaalsContact C-N 3.27Å; I346-Q348 PolarHBondContact O-N 2.92Å; I346-Y349 PolarHBondContact O-N 2.76Å; I346-L350 HydrophobicContact CG2-CD1 3.8Å; I346-L350 HydrophobicContact CG2-CG 4Å; I346-L350 VanDerWaalsContact O-CG 3.32Å; I346-L350 WeakPolarHBondContact O-CG 3.46Å; I346-L350 PolarHBondContact O-N 2.83Å; I346-L631 HydrophobicContact CD1-CB 4.18Å; I346-L631 HydrophobicContact CD1-CD2 4.39Å; I346-T717 HydrophobicContact CG2-CG2 4.37Å; I346-M724 HydrophobicContact CD1-CE 4.29Å; I346-M724 HydrophobicContact CG1-CE 3.43Å; I346-M724 VanDerWaalsContact CG1-CE 3.43Å
347	R	97.4	Very high	96.5	Very high	70 Å²	70	21.1 Å²	21.1	26%	0.264	11%	0.109	S	C	.	.	H	α-helix	trans	-56	-41.5	175.7	-173.6	173.7	-57.2	111.9	1.4	112.4	Q343 S344 V345 L350 Q351 S714 A715 D716	Q343-R347 PolarHBondContact O-N 2.86Å; S344-R347 PolarHBondContact O-N 2.89Å; S344-R347 PolarHBondContact OG-NH1 2.93Å; V345-R347 VanDerWaalsContact C-N 3.34Å; V345-R347 PolarHBondContact O-N 3.49Å; R347-L350 PolarHBondContact O-N 2.87Å; R347-Q351 VanDerWaalsContact O-CG 3.28Å; R347-Q351 WeakPolarHBondContact O-CG 3.44Å; R347-Q351 PolarHBondContact O-N 2.86Å; R347-S714 PolarHBondContact NE-O 2.8Å; R347-A715 HydrophobicContact CB-CB 4.32Å; R347-A715 HydrophobicContact CG-CB 4.13Å; R347-D716 IonicContact CZ-OD1 2.68Å; R347-D716 IonicContact NH2-OD1 3.28Å; R347-D716 PolarHBondContact NH2-OD1 3.36Å
348	Q	97.2	Very high	96.6	Very high	16 Å²	16	21.9 Å²	21.9	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-69.3	-40.4	178.4	-72.1	159.2	9.5	0	0	112.5	S170 F337 L338 G339 S344 V345 I346 Q351	S170-Q348 PolarHBondContact OG-NE2 3.03Å; F337-Q348 HydrophobicContact CB-CB 3.92Å; F337-Q348 HydrophobicContact CD1-CB 3.66Å; F337-Q348 HydrophobicContact CE1-CB 4.49Å; F337-Q348 HydrophobicContact CG-CB 4.01Å; L338-Q348 VanDerWaalsContact N-OE1 3.13Å; G339-Q348 PolarHBondContact O-NE2 2.74Å; S344-Q348 VanDerWaalsContact O-CD 3.27Å; S344-Q348 VanDerWaalsContact O-CG 3.23Å; S344-Q348 WeakPolarHBondContact O-CG 3.35Å; S344-Q348 PolarHBondContact O-N 2.67Å; V345-Q348 PolarHBondContact O-N 3.16Å; I346-Q348 VanDerWaalsContact C-N 3.27Å; I346-Q348 PolarHBondContact O-N 2.92Å; Q348-Q351 WeakPolarHBondContact O-CB 3.5Å; Q348-Q351 PolarHBondContact O-N 3.41Å
349	Y	97.9	Very high	96.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.6	-46.1	172.4	169.5	-122.5	0	0	0	112	F292 F306 F337 V345 I346 Q351 V352 I353 P599	F292-Y349 HydrophobicContact CB-CE2 4.07Å; F292-Y349 HydrophobicContact CD1-CD1 4.06Å; F292-Y349 AromaticContact CD1-CE1 3.92Å; F292-Y349 HydrophobicContact CD1-CE1 3.92Å; F292-Y349 HydrophobicContact CD1-CG 4.48Å; F292-Y349 HydrophobicContact CD2-CD1 4.42Å; F292-Y349 AromaticContact CD2-CD2 3.87Å; F292-Y349 HydrophobicContact CD2-CD2 3.87Å; F292-Y349 HydrophobicContact CD2-CE2 4.11Å; F292-Y349 HydrophobicContact CD2-CG 4.03Å; F292-Y349 AromaticContact CE1-CD1 3.97Å; F292-Y349 HydrophobicContact CE1-CD1 3.97Å; F292-Y349 HydrophobicContact CE1-CE1 4.26Å; F292-Y349 HydrophobicContact CE1-CG 4.37Å; F292-Y349 HydrophobicContact CE2-CD1 4.34Å; F292-Y349 HydrophobicContact CE2-CD2 4.16Å; F292-Y349 AromaticContact CE2-CG 3.91Å; F292-Y349 HydrophobicContact CE2-CG 3.91Å; F292-Y349 HydrophobicContact CG-CD1 4.28Å; F292-Y349 HydrophobicContact CG-CD2 4.19Å; F292-Y349 HydrophobicContact CG-CE1 4.12Å; F292-Y349 HydrophobicContact CG-CE2 4.01Å; F292-Y349 HydrophobicContact CG-CG 4.31Å; F292-Y349 AromaticContact CG-CZ 3.96Å; F292-Y349 HydrophobicContact CZ-CD1 4.11Å; F292-Y349 HydrophobicContact CZ-CG 4.08Å; F306-Y349 HydrophobicContact CB-CD2 4.19Å; F306-Y349 HydrophobicContact CB-CE2 4.18Å; F306-Y349 HydrophobicContact CD1-CD2 4.34Å; F306-Y349 HydrophobicContact CD1-CE2 4.05Å; F306-Y349 HydrophobicContact CD2-CE2 4.02Å; F306-Y349 HydrophobicContact CE1-CE2 4.43Å; F306-Y349 HydrophobicContact CE2-CE2 4.43Å; F306-Y349 HydrophobicContact CG-CD2 4.23Å; F306-Y349 AromaticContact CG-CE2 3.83Å; F306-Y349 HydrophobicContact CG-CE2 3.83Å; F337-Y349 AromaticContact CE2-CD2 3.83Å; F337-Y349 HydrophobicContact CE2-CD2 3.83Å; F337-Y349 HydrophobicContact CE2-CG 4.23Å; F337-Y349 HydrophobicContact CZ-CD2 4.1Å; V345-Y349 PolarHBondContact O-N 2.97Å; I346-Y349 PolarHBondContact O-N 2.76Å; Y349-Q351 VanDerWaalsContact C-N 3.27Å; Y349-Q351 PolarHBondContact O-N 2.94Å; Y349-V352 WeakPolarHBondContact O-CB 3.3Å; Y349-V352 PolarHBondContact O-N 2.93Å; Y349-I353 HydrophobicContact CD1-CD1 4.37Å; Y349-I353 HydrophobicContact CD2-CG2 4.45Å; Y349-I353 HydrophobicContact CE1-CD1 3.64Å; Y349-I353 HydrophobicContact CE1-CG1 4.31Å; Y349-I353 HydrophobicContact CE2-CD1 4.07Å; Y349-I353 HydrophobicContact CE2-CG1 4.2Å; Y349-I353 HydrophobicContact CE2-CG2 3.86Å; Y349-I353 VanDerWaalsContact CZ-CD1 3.48Å; Y349-I353 PolarHBondContact O-N 3.06Å; Y349-P599 WeakPolarHBondContact OH-CB 3.43Å; Y349-P599 WeakPolarHBondContact OH-CG 3.38Å
350	L	96.7	Very high	96.8	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-72	-17.6	179.5	-57.2	-172	0	0	0	113.3	I346 R347 V352 I353 G354 Y355 P356 A715	I346-L350 HydrophobicContact CG2-CD1 3.8Å; I346-L350 HydrophobicContact CG2-CG 4Å; I346-L350 VanDerWaalsContact O-CG 3.32Å; I346-L350 WeakPolarHBondContact O-CG 3.46Å; I346-L350 PolarHBondContact O-N 2.83Å; R347-L350 PolarHBondContact O-N 2.87Å; L350-V352 VanDerWaalsContact C-N 3.28Å; L350-I353 HydrophobicContact CD2-CD1 3.58Å; L350-I353 HydrophobicContact CD2-CG1 3.76Å; L350-G354 CarbonylContact O-C 3.46Å; L350-G354 WeakPolarHBondContact O-CA 3.48Å; L350-G354 PolarHBondContact O-N 3.38Å; L350-Y355 HydrophobicContact CB-CD1 3.81Å; L350-Y355 HydrophobicContact CB-CE1 4.11Å; L350-Y355 VanDerWaalsContact O-CD1 3.29Å; L350-Y355 WeakPolarHBondContact O-CD1 3.12Å; L350-P356 HydrophobicContact CD1-CG 4.49Å; L350-A715 HydrophobicContact CB-CB 3.92Å; L350-A715 HydrophobicContact CD1-CB 3.93Å; L350-A715 HydrophobicContact CG-CB 4.44Å
351	Q	94	Very high	97.1	Very high	86 Å²	86	19 Å²	19	40%	0.402	9%	0.093	S	C	.	.	H	α-helix	trans	-66.8	-29.6	166.8	-78	168	-15.5	0	0	112.4	R347 Q348 Y349 Y355	R347-Q351 VanDerWaalsContact O-CG 3.28Å; R347-Q351 WeakPolarHBondContact O-CG 3.44Å; R347-Q351 PolarHBondContact O-N 2.86Å; Q348-Q351 WeakPolarHBondContact O-CB 3.5Å; Q348-Q351 PolarHBondContact O-N 3.41Å; Y349-Q351 VanDerWaalsContact C-N 3.27Å; Y349-Q351 PolarHBondContact O-N 2.94Å; Q351-Y355 HydrophobicContact CG-CE1 3.93Å
352	V	94.3	Very high	97.2	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.024	8%	0.082	C	C	.	.	H	α-helix	trans	-80	-53.6	176.5	-177.8	0	0	0	0	111.2	L188 F193 Y335 F337 Y349 L350	L188-V352 HydrophobicContact CD1-CG1 4Å; F193-V352 HydrophobicContact CE1-CG2 4.48Å; F193-V352 HydrophobicContact CZ-CB 4.27Å; F193-V352 HydrophobicContact CZ-CG1 4.3Å; F193-V352 HydrophobicContact CZ-CG2 4.06Å; Y335-V352 HydrophobicContact CD1-CG1 4.25Å; Y335-V352 HydrophobicContact CD1-CG2 3.86Å; Y335-V352 HydrophobicContact CD2-CG1 4.34Å; Y335-V352 HydrophobicContact CE1-CG1 3.93Å; Y335-V352 HydrophobicContact CE1-CG2 4.05Å; Y335-V352 HydrophobicContact CE2-CG1 4.03Å; Y335-V352 HydrophobicContact CG-CG1 4.44Å; Y335-V352 HydrophobicContact CG-CG2 4.4Å; F337-V352 HydrophobicContact CE1-CG2 3.63Å; F337-V352 HydrophobicContact CZ-CG2 3.86Å; Y349-V352 WeakPolarHBondContact O-CB 3.3Å; Y349-V352 PolarHBondContact O-N 2.93Å; L350-V352 VanDerWaalsContact C-N 3.28Å
353	I	95.5	Very high	97.3	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-84.2	-20.1	-173.3	62.6	155.3	0	0	0	113.5	F306 Y349 L350 P599 G600 R603	F306-I353 HydrophobicContact CE1-CG2 3.88Å; F306-I353 HydrophobicContact CZ-CG2 4.17Å; Y349-I353 HydrophobicContact CD1-CD1 4.37Å; Y349-I353 HydrophobicContact CD2-CG2 4.45Å; Y349-I353 HydrophobicContact CE1-CD1 3.64Å; Y349-I353 HydrophobicContact CE1-CG1 4.31Å; Y349-I353 HydrophobicContact CE2-CD1 4.07Å; Y349-I353 HydrophobicContact CE2-CG1 4.2Å; Y349-I353 HydrophobicContact CE2-CG2 3.86Å; Y349-I353 VanDerWaalsContact CZ-CD1 3.48Å; Y349-I353 PolarHBondContact O-N 3.06Å; L350-I353 HydrophobicContact CD2-CD1 3.58Å; L350-I353 HydrophobicContact CD2-CG1 3.76Å; I353-P599 HydrophobicContact CD1-CB 4.42Å; I353-P599 HydrophobicContact CG2-CB 4.09Å; I353-G600 VanDerWaalsContact CD1-N 3.28Å; I353-R603 WeakPolarHBondContact O-CD 3.49Å; I353-R603 PolarHBondContact O-NH1 3.42Å
354	G	94.9	Very high	97.4	Very high	18 Å²	18	16.6 Å²	16.6	19%	0.186	8%	0.08	C	C	.	.			trans	101	149.5	-179.6	0	0	0	0	0	113.5	L350	L350-G354 CarbonylContact O-C 3.46Å; L350-G354 WeakPolarHBondContact O-CA 3.48Å; L350-G354 PolarHBondContact O-N 3.38Å
355	Y	96.8	Very high	97.4	Very high	67 Å²	67	15.7 Å²	15.7	26%	0.263	7%	0.073	S	C	.	.	P	Polyproline II helix	trans	-75.2	153.5	-172.9	-66.7	-1.6	0	0	0	113.2	L350 Q351 R603 H712 T713 A715	L350-Y355 HydrophobicContact CB-CD1 3.81Å; L350-Y355 HydrophobicContact CB-CE1 4.11Å; L350-Y355 VanDerWaalsContact O-CD1 3.29Å; L350-Y355 WeakPolarHBondContact O-CD1 3.12Å; Q351-Y355 HydrophobicContact CG-CE1 3.93Å; Y355-R603 VanDerWaalsContact O-CG 3.32Å; Y355-R603 WeakPolarHBondContact O-CG 3.36Å; Y355-H712 WeakPolarHBondContact CD2-O 3.41Å; Y355-T713 WeakPolarHBondContact CE2-O 3.45Å; Y355-A715 HydrophobicContact CD1-CB 3.77Å; Y355-A715 HydrophobicContact CD2-CB 4.46Å; Y355-A715 HydrophobicContact CE1-CB 3.57Å; Y355-A715 HydrophobicContact CE2-CB 4.3Å; Y355-A715 HydrophobicContact CG-CB 4.22Å
356	P	97.9	Very high	97.5	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.026	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-56.2	151.1	179.3	-24.1	33.2	0	0	0	113.8	L350 G602 P635 A711 H712	L350-P356 HydrophobicContact CD1-CG 4.49Å; P356-G602 CarbonylContact C-O 3.55Å; P356-G602 WeakPolarHBondContact CA-O 3.36Å; P356-P635 HydrophobicContact CB-CG 3.62Å; P356-P635 HydrophobicContact CG-CG 3.76Å; P356-A711 HydrophobicContact CG-CB 4.4Å; P356-H712 WeakPolarHBondContact O-CA 3.13Å; P356-H712 PolarHBondContact O-ND1 3.13Å
357	M	97.1	Very high	97.5	Very high	20 Å²	20	15.7 Å²	15.7	10%	0.099	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-64.5	147	169.2	68.5	179.1	-175.1	0	0	111	P359 G602 L636	M357-P359 WeakPolarHBondContact O-CD 3.4Å; M357-G602 PolarHBondContact N-O 3.25Å; M357-L636 HydrophobicContact CE-CD2 3.83Å
358	M	98.5	Very high	97.6	Very high	16 Å²	16	12.3 Å²	12.3	8%	0.079	6%	0.061	C	C	.	.	P	Polyproline II helix	trans	-76.4	117	164.8	-169.5	69.7	-167.8	0	0	108.5	R589 Y705 F708 H709 H712 F836	M358-R589 WeakPolarHBondContact O-CD 3.28Å; M358-Y705 HydrophobicContact CE-CD1 4.16Å; M358-Y705 HydrophobicContact CE-CD2 3.66Å; M358-Y705 HydrophobicContact CE-CE1 3.9Å; M358-Y705 HydrophobicContact CE-CE2 3.35Å; M358-Y705 HydrophobicContact CE-CG 4.05Å; M358-Y705 VanDerWaalsContact CE-CZ 3.48Å; M358-Y705 WeakPolarHBondContact CE-O 3.18Å; M358-F708 HydrophobicContact CE-CB 4.16Å; M358-F708 HydrophobicContact SD-CB 4.27Å; M358-H709 HydrophobicContact CE-CB 3.98Å; M358-H709 VanDerWaalsContact SD-CA 3.54Å; M358-H709 HydrophobicContact SD-CB 4.1Å; M358-H712 HydrophobicContact CB-CB 4.21Å; M358-H712 PolarHBondContact N-ND1 2.65Å; M358-H712 HydrophobicContact SD-CB 4.08Å; M358-F836 HydrophobicContact CE-CD1 4.17Å; M358-F836 HydrophobicContact CE-CE1 3.91Å
359	P	98.6	Very high	97.6	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	6%	0.057	C	C	.	.	P	Polyproline II helix	trans	-68.1	157.1	177.4	28.6	-34.5	0	0	0	111.3	M357 S363 L364 R589 L636 F708	M357-P359 WeakPolarHBondContact O-CD 3.4Å; P359-S363 WeakPolarHBondContact CB-OG 3.46Å; P359-L364 HydrophobicContact CG-CD2 4.15Å; P359-R589 PolarHBondContact O-NH1 3.47Å; P359-L636 HydrophobicContact CB-CD2 4.39Å; P359-F708 HydrophobicContact CG-CB 4Å; P359-F708 HydrophobicContact CG-CD1 3.59Å; P359-F708 HydrophobicContact CG-CD2 4.23Å; P359-F708 HydrophobicContact CG-CE1 4.06Å; P359-F708 HydrophobicContact CG-CG 3.67Å
360	P	98.7	Very high	97.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	P	Polyproline II helix	trans	-70.5	141.5	162	31	-32.7	0	0	0	109.8	W362 S363 R589 F591 G840	P360-W362 HydrophobicContact CB-CG 4.45Å; P360-W362 HydrophobicContact CB-CZ2 4.49Å; P360-W362 HydrophobicContact CG-CD2 4.3Å; P360-W362 HydrophobicContact CG-CZ2 3.79Å; P360-W362 PolarHBondContact O-N 2.86Å; P360-W362 VanDerWaalsContact O-N 3.14Å; P360-S363 WeakPolarHBondContact O-CB 3.09Å; P360-S363 PolarHBondContact O-N 2.85Å; P360-S363 PolarHBondContact O-OG 3.26Å; P360-R589 HydrophobicContact CB-CB 4.14Å; P360-R589 HydrophobicContact CG-CB 4.42Å; P360-F591 HydrophobicContact CG-CB 4.45Å; P360-G840 CarbonylContact C-O 3.51Å; P360-G840 VanDerWaalsContact CA-O 3.25Å; P360-G840 WeakPolarHBondContact CA-O 3.47Å
361	Y	98.9	Very high	97.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.008	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-56.6	-36.2	-171.6	-166.9	-76.5	0	0	0	112.9	S363 L364 L701 P702 Y705 T811 R815 W837 G840	Y361-S363 PolarHBondContact O-N 2.75Å; Y361-L364 WeakPolarHBondContact O-CB 3.44Å; Y361-L364 PolarHBondContact O-N 3.01Å; Y361-L364 VanDerWaalsContact O-N 3.13Å; Y361-L701 HydrophobicContact CE1-CB 3.91Å; Y361-L701 HydrophobicContact CE1-CD1 4.08Å; Y361-L701 VanDerWaalsContact OH-CB 3.25Å; Y361-L701 WeakPolarHBondContact OH-CB 3.18Å; Y361-P702 WeakPolarHBondContact OH-CD 3.14Å; Y361-Y705 AromaticContact CD2-CD1 3.64Å; Y361-Y705 HydrophobicContact CD2-CD1 3.64Å; Y361-Y705 AromaticContact CD2-CD2 3.51Å; Y361-Y705 HydrophobicContact CD2-CD2 3.51Å; Y361-Y705 AromaticContact CD2-CE1 3.91Å; Y361-Y705 HydrophobicContact CD2-CE1 3.91Å; Y361-Y705 AromaticContact CD2-CE2 3.8Å; Y361-Y705 HydrophobicContact CD2-CE2 3.8Å; Y361-Y705 AromaticContact CD2-CG 3.41Å; Y361-Y705 HydrophobicContact CD2-CG 3.41Å; Y361-Y705 VanDerWaalsContact CD2-CG 3.41Å; Y361-Y705 AromaticContact CD2-CZ 3.98Å; Y361-Y705 AromaticContact CE2-CD1 3.93Å; Y361-Y705 HydrophobicContact CE2-CD1 3.93Å; Y361-Y705 HydrophobicContact CE2-CD2 4.25Å; Y361-Y705 AromaticContact CE2-CG 3.75Å; Y361-Y705 HydrophobicContact CE2-CG 3.75Å; Y361-Y705 HydrophobicContact CG-CD2 4.19Å; Y361-Y705 HydrophobicContact CG-CE2 4.29Å; Y361-Y705 HydrophobicContact CG-CG 4.48Å; Y361-T811 HydrophobicContact CD1-CG2 3.81Å; Y361-T811 HydrophobicContact CE1-CG2 3.88Å; Y361-R815 HydrophobicContact CD1-CG 4Å; Y361-R815 HydrophobicContact CE1-CG 3.72Å; Y361-W837 HydrophobicContact CE2-CE3 4.32Å; Y361-W837 AromaticContact CE2-CH2 3.87Å; Y361-W837 HydrophobicContact CE2-CH2 3.87Å; Y361-W837 AromaticContact CE2-CZ3 3.51Å; Y361-W837 HydrophobicContact CE2-CZ3 3.51Å; Y361-W837 AromaticContact CZ-CH2 3.89Å; Y361-W837 AromaticContact CZ-CZ3 3.88Å; Y361-G840 PolarHBondContact N-O 3.25Å
362	W	98.8	Very high	97.8	Very high	16 Å²	16	11.2 Å²	11.2	6%	0.061	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-62.8	-26.9	179.6	62.2	-104.2	0	0	0	113.4	P360 L364 G365 V395 K432 I434 D508 F591 T811 D841	P360-W362 HydrophobicContact CB-CG 4.45Å; P360-W362 HydrophobicContact CB-CZ2 4.49Å; P360-W362 HydrophobicContact CG-CD2 4.3Å; P360-W362 HydrophobicContact CG-CZ2 3.79Å; P360-W362 PolarHBondContact O-N 2.86Å; P360-W362 VanDerWaalsContact O-N 3.14Å; W362-L364 PolarHBondContact O-N 3.18Å; W362-G365 PolarHBondContact O-N 2.82Å; W362-V395 HydrophobicContact CE3-CG2 3.72Å; W362-V395 HydrophobicContact CZ3-CG1 4.4Å; W362-V395 HydrophobicContact CZ3-CG2 3.88Å; W362-K432 HydrophobicContact CB-CG 4.22Å; W362-K432 HydrophobicContact CD2-CB 4.41Å; W362-K432 HydrophobicContact CD2-CD 4.08Å; W362-K432 HydrophobicContact CD2-CG 3.63Å; W362-K432 HydrophobicContact CE3-CB 4.04Å; W362-K432 HydrophobicContact CE3-CG 3.72Å; W362-K432 HydrophobicContact CG-CD 4.19Å; W362-K432 HydrophobicContact CG-CG 3.86Å; W362-K432 HydrophobicContact CZ3-CB 4.21Å; W362-K432 HydrophobicContact CZ3-CG 4.32Å; W362-I434 HydrophobicContact CH2-CD1 4.12Å; W362-I434 HydrophobicContact CZ3-CD1 4.06Å; W362-D508 HydrophobicContact CH2-CB 4.2Å; W362-D508 HydrophobicContact CZ2-CB 4.11Å; W362-F591 HydrophobicContact CH2-CB 3.46Å; W362-F591 VanDerWaalsContact CH2-CB 3.46Å; W362-F591 HydrophobicContact CH2-CD1 4.34Å; W362-F591 HydrophobicContact CH2-CD2 4.31Å; W362-F591 AromaticContact CH2-CG 3.78Å; W362-F591 HydrophobicContact CH2-CG 3.78Å; W362-F591 HydrophobicContact CZ2-CB 3.85Å; W362-F591 HydrophobicContact CZ3-CB 4.4Å; W362-F591 HydrophobicContact CZ3-CD2 4.49Å; W362-F591 HydrophobicContact CZ3-CG 4.29Å; W362-T811 WeakPolarHBondContact CA-OG1 3.46Å; W362-D841 PolarHBondContact NE1-OD1 3.49Å
363	S	98.8	Very high	98	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-75.8	-3.5	178.5	70.2	0	0	0	0	114.1	P359 P360 Y361 H367	P359-S363 WeakPolarHBondContact CB-OG 3.46Å; P360-S363 WeakPolarHBondContact O-CB 3.09Å; P360-S363 PolarHBondContact O-N 2.85Å; P360-S363 PolarHBondContact O-OG 3.26Å; Y361-S363 PolarHBondContact O-N 2.75Å; S363-H367 PolarHBondContact O-NE2 3.34Å
364	L	98.9	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-92.8	-6.4	169	-53.4	-175.2	0	0	0	112.2	P359 Y361 W362 L636 R697 L701 L704 Y705 F708	P359-L364 HydrophobicContact CG-CD2 4.15Å; Y361-L364 WeakPolarHBondContact O-CB 3.44Å; Y361-L364 PolarHBondContact O-N 3.01Å; Y361-L364 VanDerWaalsContact O-N 3.13Å; W362-L364 PolarHBondContact O-N 3.18Å; L364-L636 HydrophobicContact CD2-CD1 4.02Å; L364-R697 VanDerWaalsContact O-CZ 3.22Å; L364-R697 PolarHBondContact O-NE 2.79Å; L364-R697 PolarHBondContact O-NH2 3.39Å; L364-L701 HydrophobicContact CB-CD2 3.81Å; L364-L701 WeakPolarHBondContact O-CD2 3.33Å; L364-L704 HydrophobicContact CB-CD2 4.25Å; L364-L704 HydrophobicContact CD1-CD2 4.24Å; L364-L704 HydrophobicContact CD1-CG 4.17Å; L364-L704 HydrophobicContact CD2-CD2 4.44Å; L364-Y705 HydrophobicContact CD1-CD2 3.85Å; L364-Y705 HydrophobicContact CD1-CG 4.48Å; L364-F708 HydrophobicContact CD1-CD2 3.88Å; L364-F708 HydrophobicContact CD1-CE2 4.26Å; L364-F708 HydrophobicContact CD2-CD2 3.79Å; L364-F708 HydrophobicContact CD2-CE2 3.39Å; L364-F708 HydrophobicContact CD2-CZ 3.95Å; L364-F708 HydrophobicContact CG-CE2 4.48Å
365	G	98.8	Very high	98.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-67	-164.8	172.6	0	0	0	0	0	113	W362 H367 Y698	W362-G365 PolarHBondContact O-N 2.82Å; G365-H367 PolarHBondContact O-CD2 3.25Å; G365-Y698 WeakPolarHBondContact CA-OH 3.41Å
366	F	98.9	Very high	98.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.			trans	-93.9	134.3	173	-179	-120.6	0	0	0	111.7	L368 M386 P392 M393 D394 V395 M657 M666 N668 P679 L694 Y698	F366-L368 HydrophobicContact CE1-CB 4.24Å; F366-L368 HydrophobicContact CE1-CD1 4.44Å; F366-L368 HydrophobicContact CZ-CD1 4.4Å; F366-M386 HydrophobicContact CD1-CE 3.84Å; F366-M386 HydrophobicContact CE1-CE 3.54Å; F366-P392 WeakPolarHBondContact CD1-O 3.31Å; F366-M393 HydrophobicContact CD1-CB 4.4Å; F366-D394 PolarHBondContact O-N 2.91Å; F366-V395 PolarHBondContact O-N 3.45Å; F366-M657 HydrophobicContact CE2-CE 4.05Å; F366-M657 HydrophobicContact CE2-SD 4.27Å; F366-M657 HydrophobicContact CZ-CE 3.94Å; F366-M657 HydrophobicContact CZ-SD 4.21Å; F366-M666 HydrophobicContact CB-SD 4.41Å; F366-M666 HydrophobicContact CD2-CE 3.74Å; F366-M666 HydrophobicContact CD2-CG 3.78Å; F366-M666 HydrophobicContact CD2-SD 3.61Å; F366-M666 HydrophobicContact CE2-CE 3.92Å; F366-M666 HydrophobicContact CE2-CG 4.28Å; F366-M666 HydrophobicContact CE2-SD 4.34Å; F366-M666 HydrophobicContact CG-SD 4.41Å; F366-N668 HydrophobicContact CE2-CB 3.96Å; F366-N668 HydrophobicContact CZ-CB 3.64Å; F366-P679 HydrophobicContact CE1-CG 4.39Å; F366-P679 HydrophobicContact CZ-CG 4.4Å; F366-L694 HydrophobicContact CB-CD2 3.62Å; F366-L694 HydrophobicContact CD1-CD1 4.39Å; F366-L694 HydrophobicContact CD1-CD2 4.14Å; F366-L694 HydrophobicContact CD2-CD2 3.83Å; F366-L694 HydrophobicContact CG-CD2 3.59Å; F366-Y698 HydrophobicContact CB-CE2 4.11Å; F366-Y698 PolarHBondContact N-OH 3.12Å
367	H	98.9	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.1	-179.5	-64.1	-127.4	0	0	0	109.4	S363 G365 V395 W397 F665 M666 R667 N668	S363-H367 PolarHBondContact O-NE2 3.34Å; G365-H367 PolarHBondContact O-CD2 3.25Å; H367-V395 HydrophobicContact CB-CB 4.45Å; H367-V395 VanDerWaalsContact CE1-CG2 3.44Å; H367-V395 WeakPolarHBondContact CE1-CG2 3.18Å; H367-W397 HydrophobicContact CB-CZ2 4.49Å; H367-W397 AromaticContact CG-NE1 3.59Å; H367-W397 AromaticContact ND1-CE2 3.37Å; H367-W397 AromaticContact ND1-CZ2 3.22Å; H367-W397 WeakPolarHBondContact ND1-CZ2 3.36Å; H367-W397 AromaticContact ND1-NE1 3.02Å; H367-W397 PolarHBondContact ND1-NE1 3.44Å; H367-F665 AromaticContact CE1-CE2 3.75Å; H367-F665 AromaticContact CG-CE2 3.96Å; H367-F665 AromaticContact ND1-CE2 3.69Å; H367-M666 WeakPolarHBondContact CB-O 3.47Å; H367-M666 PolarHBondContact N-O 3.02Å; H367-R667 HydrophobicContact CB-CB 3.98Å; H367-R667 HydrophobicContact CB-CG 4Å; H367-R667 WeakPolarHBondContact O-CA 3.32Å; H367-N668 PolarHBondContact O-N 3.25Å
368	L	98.9	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.6	177.3	-173.4	63.2	0	0	0	111.2	F366 V382 M386 M393 V395 Q396 W397 N668 E678	F366-L368 HydrophobicContact CE1-CB 4.24Å; F366-L368 HydrophobicContact CE1-CD1 4.44Å; F366-L368 HydrophobicContact CZ-CD1 4.4Å; L368-V382 HydrophobicContact CD2-CG1 3.52Å; L368-V382 HydrophobicContact CG-CG1 4.37Å; L368-M386 HydrophobicContact CD2-CE 4.34Å; L368-M386 HydrophobicContact CD2-CG 3.71Å; L368-M386 HydrophobicContact CD2-SD 3.95Å; L368-M393 HydrophobicContact CB-CE 3.69Å; L368-M393 HydrophobicContact CB-SD 4Å; L368-M393 HydrophobicContact CD2-CE 4.42Å; L368-M393 HydrophobicContact CD2-SD 4.1Å; L368-V395 PolarHBondContact N-O 3.18Å; L368-V395 VanDerWaalsContact N-O 3.08Å; L368-Q396 PolarHBondContact O-NE2 3.48Å; L368-W397 PolarHBondContact O-N 2.95Å; L368-N668 HydrophobicContact CD1-CB 3.87Å; L368-E678 HydrophobicContact CD1-CB 4.45Å; L368-E678 HydrophobicContact CD1-CG 4.26Å; L368-E678 HydrophobicContact CD2-CB 4.16Å; L368-E678 HydrophobicContact CD2-CG 4.08Å
369	C	98.8	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.			trans	-139	166.2	-177	-165.3	0	0	0	0	110.5	W397 R667 N668 H669	C369-W397 HydrophobicContact CB-CB 3.54Å; C369-W397 HydrophobicContact CB-CD2 4.47Å; C369-W397 HydrophobicContact CB-CG 4.04Å; C369-W397 WeakPolarHBondContact SG-CB 3.45Å; C369-R667 HydrophobicContact CB-CG 4.45Å; C369-N668 PolarHBondContact N-O 2.73Å; C369-H669 HydrophobicContact CB-CB 4.09Å; C369-H669 WeakPolarHBondContact CB-ND1 3.38Å; C369-H669 WeakPolarHBondContact O-CA 3.43Å; C369-H669 VanDerWaalsContact SG-CE1 3.59Å; C369-H669 PolarHBondContact SG-ND1 2.78Å
370	R	98.4	Very high	98.5	Very high	22 Å²	22	18.6 Å²	18.6	8%	0.083	10%	0.103	C	C	.	.			trans	-162.9	158.9	152.9	72.2	179	-63.8	155.7	6.4	109	Y373 D399 H669 N670 D671 N674 E678	R370-Y373 HydrophobicContact CB-CE2 4.31Å; R370-Y373 VanDerWaalsContact CD-CD1 3.5Å; R370-Y373 HydrophobicContact CG-CD1 3.57Å; R370-Y373 HydrophobicContact CG-CD2 3.79Å; R370-Y373 HydrophobicContact CG-CE1 3.45Å; R370-Y373 VanDerWaalsContact CG-CE1 3.45Å; R370-Y373 HydrophobicContact CG-CE2 3.69Å; R370-Y373 HydrophobicContact CG-CG 3.71Å; R370-Y373 VanDerWaalsContact CG-CZ 3.5Å; R370-D399 WeakPolarHBondContact O-CB 3.16Å; R370-H669 WeakPolarHBondContact CA-ND1 3.25Å; R370-N670 WeakPolarHBondContact CA-O 3.37Å; R370-N670 HydrophobicContact CB-CB 4Å; R370-N670 WeakPolarHBondContact CB-O 3.44Å; R370-D671 PolarHBondContact NH2-O 2.8Å; R370-N674 PolarHBondContact NH2-O 2.99Å; R370-E678 IonicContact NH1-OE1 3.19Å
371	W	97.9	Very high	98.5	Very high	38 Å²	38	22.4 Å²	22.4	14%	0.144	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	126.8	151.3	-163.3	13.6	0	0	0	108.4	D399 W476 N670 K672	W371-D399 HydrophobicContact CB-CB 4.23Å; W371-D399 WeakPolarHBondContact CB-OD2 3.11Å; W371-D399 HydrophobicContact CG-CB 4.41Å; W371-W476 HydrophobicContact CH2-CE3 4.46Å; W371-W476 AromaticContact CH2-CH2 3.37Å; W371-W476 HydrophobicContact CH2-CH2 3.37Å; W371-W476 HydrophobicContact CH2-CZ2 4.07Å; W371-W476 AromaticContact CH2-CZ3 3.6Å; W371-W476 HydrophobicContact CH2-CZ3 3.6Å; W371-W476 HydrophobicContact CZ2-CH2 4.18Å; W371-W476 HydrophobicContact CZ2-CZ3 4.1Å; W371-W476 AromaticContact CZ3-CH2 3.95Å; W371-W476 HydrophobicContact CZ3-CH2 3.95Å; W371-W476 HydrophobicContact CZ3-CZ2 4.44Å; W371-N670 PolarHBondContact N-O 2.75Å; W371-K672 HydrophobicContact CB-CB 4.02Å; W371-K672 HydrophobicContact CD2-CB 3.71Å; W371-K672 HydrophobicContact CD2-CD 4.03Å; W371-K672 HydrophobicContact CD2-CG 4.49Å; W371-K672 HydrophobicContact CE3-CB 3.89Å; W371-K672 HydrophobicContact CG-CB 3.77Å; W371-K672 HydrophobicContact CG-CD 4.22Å; W371-K672 HydrophobicContact CG-CG 4.45Å; W371-K672 HydrophobicContact CZ2-CD 4.26Å; W371-K672 WeakPolarHBondContact O-CA 3.43Å
372	G	96.4	Very high	98.5	Very high	23 Å²	23	22.8 Å²	22.8	24%	0.237	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	116.9	4.2	179.8	0	0	0	0	0	117	T374 D401	G372-T374 VanDerWaalsContact C-N 3.29Å; G372-T374 PolarHBondContact O-N 2.87Å; G372-D401 VanDerWaalsContact CA-OD2 3.29Å; G372-D401 WeakPolarHBondContact CA-OD2 3.39Å; G372-D401 PolarHBondContact N-OD2 2.83Å
373	Y	98.1	Very high	98.4	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.035	12%	0.122	C	C	.	.			trans	-77.3	82.5	166.9	-66.6	-34.7	0	0	0	109.5	R370 T375 V382 N398 D401 F416 E678	R370-Y373 HydrophobicContact CB-CE2 4.31Å; R370-Y373 VanDerWaalsContact CD-CD1 3.5Å; R370-Y373 HydrophobicContact CG-CD1 3.57Å; R370-Y373 HydrophobicContact CG-CD2 3.79Å; R370-Y373 HydrophobicContact CG-CE1 3.45Å; R370-Y373 VanDerWaalsContact CG-CE1 3.45Å; R370-Y373 HydrophobicContact CG-CE2 3.69Å; R370-Y373 HydrophobicContact CG-CG 3.71Å; R370-Y373 VanDerWaalsContact CG-CZ 3.5Å; Y373-T375 PolarHBondContact O-N 2.84Å; Y373-V382 HydrophobicContact CD1-CG2 3.9Å; Y373-V382 HydrophobicContact CE1-CB 4.36Å; Y373-V382 HydrophobicContact CE1-CG1 4.31Å; Y373-V382 HydrophobicContact CE1-CG2 3.36Å; Y373-V382 HydrophobicContact CE2-CG1 4.37Å; Y373-N398 PolarHBondContact O-ND2 3.33Å; Y373-D401 PolarHBondContact N-OD2 2.65Å; Y373-D401 WeakPolarHBondContact O-CB 3.37Å; Y373-F416 WeakPolarHBondContact O-CZ 3.35Å; Y373-E678 WeakPolarHBondContact CE1-OE1 3.2Å; Y373-E678 VanDerWaalsContact OH-CG 3.25Å; Y373-E678 WeakPolarHBondContact OH-CG 3.34Å; Y373-E678 PolarHBondContact OH-OE1 2.89Å
374	T	97.2	Very high	98.4	Very high	66 Å²	66	28 Å²	28	41%	0.405	15%	0.15	S	C	.	.			trans	-77.2	-6	-162.7	53.7	0	0	0	0	117	G372 R415 F416	G372-T374 VanDerWaalsContact C-N 3.29Å; G372-T374 PolarHBondContact O-N 2.87Å; T374-R415 WeakPolarHBondContact O-CD 3.32Å; T374-R415 PolarHBondContact O-NH1 3.28Å; T374-F416 WeakPolarHBondContact O-CE2 3.45Å
375	T	98.6	Very high	98.4	Very high	44 Å²	44	34.9 Å²	34.9	27%	0.27	18%	0.176	S	C	.	.	S	Bend	trans	-150.7	158.3	178.5	59	0	0	0	0	111.3	Y373 N377 A378 T379 R415	Y373-T375 PolarHBondContact O-N 2.84Å; T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 2.89Å; T375-A378 WeakPolarHBondContact O-CB 3.47Å; T375-A378 PolarHBondContact O-N 3.42Å; T375-A378 VanDerWaalsContact O-N 3.1Å; T375-A378 WeakPolarHBondContact OG1-CB 3.41Å; T375-A378 PolarHBondContact OG1-N 3.17Å; T375-A378 VanDerWaalsContact OG1-N 3.17Å; T375-T379 PolarHBondContact O-N 3Å; T375-T379 PolarHBondContact O-OG1 3.47Å; T375-R415 WeakPolarHBondContact CA-O 3.4Å; T375-R415 HydrophobicContact CG2-CB 4.06Å; T375-R415 HydrophobicContact CG2-CG 4.25Å
376	T	98.7	Very high	98.4	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.049	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-35.8	172.3	51.9	0	0	0	0	113.1	T379 R380 R415 F416 D418 L419 M422	T376-T379 PolarHBondContact O-N 3.23Å; T376-R380 WeakPolarHBondContact O-CB 3.28Å; T376-R380 WeakPolarHBondContact O-CG 3.15Å; T376-R380 PolarHBondContact O-N 2.94Å; T376-R415 PolarHBondContact N-O 3Å; T376-F416 HydrophobicContact CG2-CB 4.29Å; T376-F416 HydrophobicContact CG2-CD1 3.53Å; T376-F416 HydrophobicContact CG2-CE1 4.15Å; T376-F416 HydrophobicContact CG2-CG 4.11Å; T376-D418 WeakPolarHBondContact CB-OD1 3.39Å; T376-D418 WeakPolarHBondContact CG2-OD1 3.31Å; T376-D418 PolarHBondContact OG1-OD1 3.31Å; T376-D418 PolarHBondContact OG1-OD2 3Å; T376-L419 HydrophobicContact CG2-CB 4.24Å; T376-M422 HydrophobicContact CG2-CB 4.41Å; T376-M422 HydrophobicContact CG2-CE 4.07Å; T376-M422 HydrophobicContact CG2-SD 3.92Å; T376-M422 VanDerWaalsContact O-SD 3.33Å
377	N	98.6	Very high	98.3	Very high	98 Å²	98	36.8 Å²	36.8	52%	0.524	18%	0.184	S	C	.	.	H	α-helix	trans	-65.6	-40.6	175.2	-171.1	26.6	0	0	0	111.9	T375 R380 M381	T375-N377 VanDerWaalsContact C-N 3.27Å; T375-N377 PolarHBondContact O-N 2.89Å; N377-R380 PolarHBondContact O-N 3.14Å; N377-M381 WeakPolarHBondContact O-CG 3.49Å; N377-M381 PolarHBondContact O-N 3.44Å
378	A	98.3	Very high	98.3	Very high	21 Å²	21	40.9 Å²	40.9	17%	0.174	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-47.2	173.5	0	0	0	0	0	111.4	T375 R380 M381 V382	T375-A378 WeakPolarHBondContact O-CB 3.47Å; T375-A378 PolarHBondContact O-N 3.42Å; T375-A378 VanDerWaalsContact O-N 3.1Å; T375-A378 WeakPolarHBondContact OG1-CB 3.41Å; T375-A378 PolarHBondContact OG1-N 3.17Å; T375-A378 VanDerWaalsContact OG1-N 3.17Å; A378-R380 PolarHBondContact O-N 3.28Å; A378-M381 PolarHBondContact O-N 3.4Å; A378-V382 WeakPolarHBondContact O-CG2 3.48Å; A378-V382 PolarHBondContact O-N 2.93Å
379	T	98.7	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-45.5	175.4	-59.9	0	0	0	0	112	T375 T376 M381 V382 A383 Q396 N398 M422 F426	T375-T379 PolarHBondContact O-N 3Å; T375-T379 PolarHBondContact O-OG1 3.47Å; T376-T379 PolarHBondContact O-N 3.23Å; T379-M381 PolarHBondContact O-N 2.82Å; T379-V382 PolarHBondContact O-N 3.5Å; T379-A383 PolarHBondContact O-N 2.92Å; T379-Q396 HydrophobicContact CG2-CG 3.35Å; T379-N398 WeakPolarHBondContact CG2-OD1 3.46Å; T379-N398 PolarHBondContact OG1-ND2 2.92Å; T379-N398 VanDerWaalsContact OG1-ND2 3.16Å; T379-N398 PolarHBondContact OG1-OD1 3.35Å; T379-N398 VanDerWaalsContact OG1-OD1 3.09Å; T379-M422 HydrophobicContact CG2-CE 3.77Å; T379-M422 HydrophobicContact CG2-SD 3.73Å; T379-F426 HydrophobicContact CG2-CE2 4.09Å; T379-F426 HydrophobicContact CG2-CZ 4.02Å
380	R	98.6	Very high	98.2	Very high	44 Å²	44	46.6 Å²	46.6	17%	0.166	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-42.8	175.6	-76.1	-174.4	-176.1	95.4	-12.8	112.7	T376 N377 A378 V382 A383 Q384 D418 M422 E425	T376-R380 WeakPolarHBondContact O-CB 3.28Å; T376-R380 WeakPolarHBondContact O-CG 3.15Å; T376-R380 PolarHBondContact O-N 2.94Å; N377-R380 PolarHBondContact O-N 3.14Å; A378-R380 PolarHBondContact O-N 3.28Å; R380-V382 VanDerWaalsContact C-N 3.28Å; R380-V382 PolarHBondContact O-N 3.28Å; R380-A383 PolarHBondContact O-N 3.15Å; R380-Q384 VanDerWaalsContact O-CB 3.28Å; R380-Q384 WeakPolarHBondContact O-CB 3.3Å; R380-Q384 PolarHBondContact O-N 2.96Å; R380-D418 IonicContact CZ-OD2 3.91Å; R380-D418 IonicContact NH1-OD2 3.67Å; R380-D418 PolarHBondContact NH1-OD2 3.41Å; R380-D418 IonicContact NH2-OD2 2.89Å; R380-D418 PolarHBondContact NH2-OD2 3.21Å; R380-M422 HydrophobicContact CG-CG 3.8Å; R380-M422 HydrophobicContact CG-SD 3.99Å; R380-E425 WeakPolarHBondContact CD-OE2 3.38Å; R380-E425 IonicContact CZ-OE1 3.6Å; R380-E425 VanDerWaalsContact CZ-OE1 3.26Å; R380-E425 IonicContact CZ-OE2 3.77Å; R380-E425 VanDerWaalsContact NE-CD 3.26Å; R380-E425 IonicContact NE-OE1 2.84Å; R380-E425 PolarHBondContact NE-OE1 3.16Å; R380-E425 IonicContact NE-OE2 2.83Å; R380-E425 PolarHBondContact NE-OE2 3.39Å; R380-E425 IonicContact NH2-OE1 3.16Å; R380-E425 PolarHBondContact NH2-OE1 2.98Å
381	M	98.6	Very high	98.2	Very high	79 Å²	79	45.5 Å²	45.5	39%	0.389	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-35	178.9	-77.2	-169.1	-64.9	0	0	112.6	N377 A378 T379 R385	N377-M381 WeakPolarHBondContact O-CG 3.49Å; N377-M381 PolarHBondContact O-N 3.44Å; A378-M381 PolarHBondContact O-N 3.4Å; T379-M381 PolarHBondContact O-N 2.82Å; M381-R385 WeakPolarHBondContact O-CB 3.28Å; M381-R385 VanDerWaalsContact O-CG 3.24Å; M381-R385 WeakPolarHBondContact O-CG 3.38Å; M381-R385 PolarHBondContact O-N 3.02Å
382	V	98.5	Very high	98.2	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-55.8	177.4	170.4	0	0	0	0	110.5	L368 Y373 A378 T379 R380 Q384 R385 M386 E678 F680	L368-V382 HydrophobicContact CD2-CG1 3.52Å; L368-V382 HydrophobicContact CG-CG1 4.37Å; Y373-V382 HydrophobicContact CD1-CG2 3.9Å; Y373-V382 HydrophobicContact CE1-CB 4.36Å; Y373-V382 HydrophobicContact CE1-CG1 4.31Å; Y373-V382 HydrophobicContact CE1-CG2 3.36Å; Y373-V382 HydrophobicContact CE2-CG1 4.37Å; A378-V382 WeakPolarHBondContact O-CG2 3.48Å; A378-V382 PolarHBondContact O-N 2.93Å; T379-V382 PolarHBondContact O-N 3.5Å; R380-V382 VanDerWaalsContact C-N 3.28Å; R380-V382 PolarHBondContact O-N 3.28Å; V382-Q384 VanDerWaalsContact C-N 3.29Å; V382-Q384 PolarHBondContact O-N 3.24Å; V382-R385 PolarHBondContact O-N 3.49Å; V382-R385 VanDerWaalsContact O-N 3.11Å; V382-M386 PolarHBondContact O-N 2.63Å; V382-E678 HydrophobicContact CG1-CG 4.37Å; V382-F680 HydrophobicContact CG1-CE1 4.21Å; V382-F680 HydrophobicContact CG1-CZ 4.46Å
383	A	98.2	Very high	98.3	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-57.6	-41.1	176.3	0	0	0	0	0	112.1	T379 R380 M386 H387 F426 M431	T379-A383 PolarHBondContact O-N 2.92Å; R380-A383 PolarHBondContact O-N 3.15Å; A383-M386 PolarHBondContact O-N 3.31Å; A383-H387 PolarHBondContact O-N 2.8Å; A383-H387 VanDerWaalsContact O-N 3.17Å; A383-F426 HydrophobicContact CB-CE1 3.72Å; A383-F426 HydrophobicContact CB-CZ 4.18Å; A383-M431 HydrophobicContact CB-CE 4.04Å; A383-M431 HydrophobicContact CB-SD 4.43Å
384	Q	98.3	Very high	98.4	Very high	123 Å²	123	42.2 Å²	42.2	58%	0.575	22%	0.222	S	C	*	.	H	α-helix	trans	-62.3	-43.2	175.6	-176.5	-180	2.5	0	0	112.2	R380 V382 S388	R380-Q384 VanDerWaalsContact O-CB 3.28Å; R380-Q384 WeakPolarHBondContact O-CB 3.3Å; R380-Q384 PolarHBondContact O-N 2.96Å; V382-Q384 VanDerWaalsContact C-N 3.29Å; V382-Q384 PolarHBondContact O-N 3.24Å; Q384-S388 VanDerWaalsContact O-CB 3.25Å; Q384-S388 WeakPolarHBondContact O-CB 3.26Å; Q384-S388 PolarHBondContact O-N 3.04Å; Q384-S388 PolarHBondContact O-OG 2.95Å
385	R	98.6	Very high	98.5	Very high	144 Å²	144	39 Å²	39	54%	0.543	20%	0.203	S	C	.	.	H	α-helix	trans	-68.6	-38.8	179.7	-77.4	176.2	-179.3	-161.9	1.3	112.3	M381 V382 S388 A389 F680	M381-R385 WeakPolarHBondContact O-CB 3.28Å; M381-R385 VanDerWaalsContact O-CG 3.24Å; M381-R385 WeakPolarHBondContact O-CG 3.38Å; M381-R385 PolarHBondContact O-N 3.02Å; V382-R385 PolarHBondContact O-N 3.49Å; V382-R385 VanDerWaalsContact O-N 3.11Å; R385-S388 PolarHBondContact O-N 3.17Å; R385-A389 WeakPolarHBondContact O-CB 3.33Å; R385-A389 PolarHBondContact O-N 2.87Å; R385-F680 HydrophobicContact CB-CD1 3.55Å; R385-F680 HydrophobicContact CB-CD2 3.98Å; R385-F680 HydrophobicContact CB-CE1 3.61Å; R385-F680 HydrophobicContact CB-CE2 4.05Å; R385-F680 HydrophobicContact CB-CG 3.76Å; R385-F680 HydrophobicContact CB-CZ 3.87Å; R385-F680 HydrophobicContact CG-CE2 4.48Å
386	M	98.6	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.6	-55	172.7	-75.1	-66.3	-72	0	0	111.3	F366 L368 V382 A383 S388 A389 N390 F391 M393 P679 F680	F366-M386 HydrophobicContact CD1-CE 3.84Å; F366-M386 HydrophobicContact CE1-CE 3.54Å; L368-M386 HydrophobicContact CD2-CE 4.34Å; L368-M386 HydrophobicContact CD2-CG 3.71Å; L368-M386 HydrophobicContact CD2-SD 3.95Å; V382-M386 PolarHBondContact O-N 2.63Å; A383-M386 PolarHBondContact O-N 3.31Å; M386-S388 PolarHBondContact O-N 2.77Å; M386-A389 CarbonylContact O-C 3.58Å; M386-A389 PolarHBondContact O-N 2.98Å; M386-N390 PolarHBondContact O-N 3.1Å; M386-F391 HydrophobicContact CE-CB 3.47Å; M386-F391 VanDerWaalsContact CE-CB 3.47Å; M386-F391 HydrophobicContact CE-CG 4.12Å; M386-F391 PolarHBondContact O-N 3.4Å; M386-F391 HydrophobicContact SD-CB 4.07Å; M386-F391 HydrophobicContact SD-CD2 4.12Å; M386-F391 HydrophobicContact SD-CG 4.32Å; M386-M393 HydrophobicContact CB-SD 3.91Å; M386-M393 HydrophobicContact CE-CB 4.19Å; M386-M393 HydrophobicContact CE-SD 4.34Å; M386-M393 HydrophobicContact CG-SD 3.72Å; M386-P679 HydrophobicContact CE-CG 4.24Å; M386-P679 HydrophobicContact SD-CB 4.31Å; M386-P679 HydrophobicContact SD-CG 4.25Å; M386-F680 HydrophobicContact CG-CD1 3.77Å; M386-F680 HydrophobicContact CG-CE1 3.87Å; M386-F680 HydrophobicContact SD-CD1 3.66Å; M386-F680 HydrophobicContact SD-CE1 4.14Å
387	H	97.4	Very high	98.5	Very high	40 Å²	40	36.6 Å²	36.6	19%	0.185	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-37.6	178.9	-71.5	-170.7	0	0	0	112.7	A383 A389 N390 M431 L809	A383-H387 PolarHBondContact O-N 2.8Å; A383-H387 VanDerWaalsContact O-N 3.17Å; H387-A389 PolarHBondContact O-N 3.16Å; H387-N390 WeakPolarHBondContact O-CA 3.27Å; H387-N390 PolarHBondContact O-N 3.37Å; H387-M431 VanDerWaalsContact CE1-SD 3.53Å; H387-L809 HydrophobicContact CB-CD1 4.2Å
388	S	98	Very high	98.5	Very high	86 Å²	86	31.9 Å²	31.9	60%	0.601	16%	0.163	S	C	*	.	H	α-helix	trans	-65.6	-28	177.2	-57.2	0	0	0	0	112.9	Q384 R385 M386 N390	Q384-S388 VanDerWaalsContact O-CB 3.25Å; Q384-S388 WeakPolarHBondContact O-CB 3.26Å; Q384-S388 PolarHBondContact O-N 3.04Å; Q384-S388 PolarHBondContact O-OG 2.95Å; R385-S388 PolarHBondContact O-N 3.17Å; M386-S388 PolarHBondContact O-N 2.77Å; S388-N390 VanDerWaalsContact C-N 3.31Å
389	A	98.1	Very high	98.5	Very high	19 Å²	19	31.3 Å²	31.3	16%	0.157	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	13.2	172.7	0	0	0	0	0	112.9	R385 M386 H387 F391 F680 R691	R385-A389 WeakPolarHBondContact O-CB 3.33Å; R385-A389 PolarHBondContact O-N 2.87Å; M386-A389 CarbonylContact O-C 3.58Å; M386-A389 PolarHBondContact O-N 2.98Å; H387-A389 PolarHBondContact O-N 3.16Å; A389-F391 VanDerWaalsContact C-N 3.3Å; A389-F391 HydrophobicContact CB-CD2 3.67Å; A389-F391 HydrophobicContact CB-CE2 3.73Å; A389-F391 PolarHBondContact O-N 2.85Å; A389-F680 HydrophobicContact CB-CB 4.14Å; A389-R691 VanDerWaalsContact O-CZ 3.26Å; A389-R691 PolarHBondContact O-NE 3.11Å; A389-R691 PolarHBondContact O-NH2 2.82Å
390	N	98.1	Very high	98.4	Very high	100 Å²	100	31.6 Å²	31.6	54%	0.535	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	40	-179.3	-62.5	-41.6	0	0	0	114	M386 H387 S388 R691	M386-N390 PolarHBondContact O-N 3.1Å; H387-N390 WeakPolarHBondContact O-CA 3.27Å; H387-N390 PolarHBondContact O-N 3.37Å; S388-N390 VanDerWaalsContact C-N 3.31Å; N390-R691 WeakPolarHBondContact O-CD 3.42Å; N390-R691 WeakPolarHBondContact O-CG 3.44Å; N390-R691 PolarHBondContact O-NE 2.98Å
391	F	98.7	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.			trans	-93.1	128.6	168.8	-70	-71.6	0	0	0	110.6	M386 A389 P679 F680 Q687 M690 R691 L694	M386-F391 HydrophobicContact CE-CB 3.47Å; M386-F391 VanDerWaalsContact CE-CB 3.47Å; M386-F391 HydrophobicContact CE-CG 4.12Å; M386-F391 PolarHBondContact O-N 3.4Å; M386-F391 HydrophobicContact SD-CB 4.07Å; M386-F391 HydrophobicContact SD-CD2 4.12Å; M386-F391 HydrophobicContact SD-CG 4.32Å; A389-F391 VanDerWaalsContact C-N 3.3Å; A389-F391 HydrophobicContact CB-CD2 3.67Å; A389-F391 HydrophobicContact CB-CE2 3.73Å; A389-F391 PolarHBondContact O-N 2.85Å; F391-P679 HydrophobicContact CD1-CB 4.06Å; F391-P679 HydrophobicContact CD2-CB 4.12Å; F391-P679 HydrophobicContact CE1-CB 3.71Å; F391-P679 HydrophobicContact CE2-CB 3.81Å; F391-P679 HydrophobicContact CG-CB 4.24Å; F391-P679 HydrophobicContact CZ-CB 3.57Å; F391-F680 HydrophobicContact CE2-CB 4.2Å; F391-Q687 WeakPolarHBondContact CE1-O 3.42Å; F391-Q687 HydrophobicContact CE2-CB 4.49Å; F391-Q687 HydrophobicContact CE2-CG 4.43Å; F391-Q687 HydrophobicContact CZ-CB 3.79Å; F391-Q687 HydrophobicContact CZ-CG 4.04Å; F391-M690 HydrophobicContact CE1-CB 3.94Å; F391-R691 HydrophobicContact CD1-CB 3.92Å; F391-R691 HydrophobicContact CD1-CG 4.19Å; F391-R691 HydrophobicContact CE1-CB 3.7Å; F391-R691 HydrophobicContact CE1-CG 4.41Å; F391-L694 HydrophobicContact CB-CD1 4.4Å; F391-L694 HydrophobicContact CD1-CD1 3.8Å
392	P	98.6	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.			trans	-58.8	136.1	166.2	-23.8	34.3	0	0	0	112.3	F366 L694 N695 Y698 L809	F366-P392 WeakPolarHBondContact CD1-O 3.31Å; P392-L694 HydrophobicContact CG-CB 4.24Å; P392-N695 VanDerWaalsContact CG-OD1 3.27Å; P392-N695 WeakPolarHBondContact CG-OD1 3.32Å; P392-Y698 HydrophobicContact CB-CD1 3.99Å; P392-Y698 HydrophobicContact CB-CD2 3.64Å; P392-Y698 HydrophobicContact CB-CE1 3.76Å; P392-Y698 HydrophobicContact CB-CE2 3.38Å; P392-Y698 HydrophobicContact CB-CG 3.92Å; P392-Y698 VanDerWaalsContact CB-CZ 3.44Å; P392-Y698 HydrophobicContact CG-CD2 4.23Å; P392-Y698 HydrophobicContact CG-CE2 4.42Å; P392-Y698 HydrophobicContact CG-CG 4.34Å; P392-L809 CarbonylContact C-O 3.58Å; P392-L809 WeakPolarHBondContact CA-O 3.11Å
393	M	98.6	Very high	98.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.131	C	C	.	.			trans	-160.8	110.8	179.7	179.7	179.6	167.2	0	0	109.9	F366 L368 M386 V395 Q396 M431 L809	F366-M393 HydrophobicContact CD1-CB 4.4Å; L368-M393 HydrophobicContact CB-CE 3.69Å; L368-M393 HydrophobicContact CB-SD 4Å; L368-M393 HydrophobicContact CD2-CE 4.42Å; L368-M393 HydrophobicContact CD2-SD 4.1Å; M386-M393 HydrophobicContact CB-SD 3.91Å; M386-M393 HydrophobicContact CE-CB 4.19Å; M386-M393 HydrophobicContact CE-SD 4.34Å; M386-M393 HydrophobicContact CG-SD 3.72Å; M393-V395 WeakPolarHBondContact CE-O 3.48Å; M393-Q396 VanDerWaalsContact CE-CA 3.49Å; M393-Q396 HydrophobicContact CE-CB 3.67Å; M393-Q396 HydrophobicContact CE-CG 4.34Å; M393-M431 HydrophobicContact CE-CE 3.88Å; M393-M431 HydrophobicContact CG-CE 4.02Å; M393-M431 HydrophobicContact SD-CE 4.07Å; M393-L809 PolarHBondContact N-O 3.02Å
394	D	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.			trans	-85.5	-36.6	177.4	-88	-104.2	0	0	0	112.5	F366 M431 K432 Y698 T810 T811	F366-D394 PolarHBondContact O-N 2.91Å; D394-M431 CarbonylContact O-C 3.39Å; D394-M431 VanDerWaalsContact O-CA 3.24Å; D394-M431 WeakPolarHBondContact O-CA 3.19Å; D394-M431 WeakPolarHBondContact O-CB 3.39Å; D394-K432 PolarHBondContact O-N 2.98Å; D394-Y698 PolarHBondContact N-OH 2.95Å; D394-Y698 WeakPolarHBondContact OD2-CE1 3.34Å; D394-Y698 VanDerWaalsContact OD2-CZ 3.25Å; D394-Y698 PolarHBondContact OD2-OH 3.31Å; D394-T810 WeakPolarHBondContact OD2-CA 3.2Å; D394-T811 VanDerWaalsContact CG-N 3.27Å; D394-T811 VanDerWaalsContact OD1-CB 3.29Å; D394-T811 WeakPolarHBondContact OD1-CB 3.1Å; D394-T811 WeakPolarHBondContact OD1-CG2 3.46Å; D394-T811 PolarHBondContact OD1-N 2.67Å; D394-T811 PolarHBondContact OD1-OG1 2.92Å; D394-T811 PolarHBondContact OD2-N 3.29Å
395	V	98.9	Very high	98.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.8	-163.4	-159.8	0	0	0	0	111.9	W362 F366 H367 L368 M393 K432 I434	W362-V395 HydrophobicContact CE3-CG2 3.72Å; W362-V395 HydrophobicContact CZ3-CG1 4.4Å; W362-V395 HydrophobicContact CZ3-CG2 3.88Å; F366-V395 PolarHBondContact O-N 3.45Å; H367-V395 HydrophobicContact CB-CB 4.45Å; H367-V395 VanDerWaalsContact CE1-CG2 3.44Å; H367-V395 WeakPolarHBondContact CE1-CG2 3.18Å; L368-V395 PolarHBondContact N-O 3.18Å; L368-V395 VanDerWaalsContact N-O 3.08Å; M393-V395 WeakPolarHBondContact CE-O 3.48Å; V395-K432 WeakPolarHBondContact CA-O 3.21Å; V395-K432 HydrophobicContact CB-CB 4.43Å; V395-K432 HydrophobicContact CG1-CB 4Å; V395-K432 HydrophobicContact CG2-CB 4.11Å; V395-I434 HydrophobicContact CG1-CB 4.34Å; V395-I434 HydrophobicContact CG1-CD1 3.8Å; V395-I434 HydrophobicContact CG1-CG1 3.79Å
396	Q	98.9	Very high	98.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.8	168.4	177.5	63.4	69.9	0	0	109.6	L368 T379 M393 F426 M431 K432 Y433 I434	L368-Q396 PolarHBondContact O-NE2 3.48Å; T379-Q396 HydrophobicContact CG2-CG 3.35Å; M393-Q396 VanDerWaalsContact CE-CA 3.49Å; M393-Q396 HydrophobicContact CE-CB 3.67Å; M393-Q396 HydrophobicContact CE-CG 4.34Å; Q396-F426 HydrophobicContact CB-CD2 4.3Å; Q396-F426 HydrophobicContact CB-CE2 3.95Å; Q396-F426 HydrophobicContact CB-CZ 4.31Å; Q396-F426 HydrophobicContact CG-CE2 3.73Å; Q396-F426 HydrophobicContact CG-CZ 3.96Å; Q396-M431 HydrophobicContact CB-CE 4.5Å; Q396-K432 PolarHBondContact N-O 2.76Å; Q396-Y433 HydrophobicContact CB-CD2 4.22Å; Q396-Y433 HydrophobicContact CG-CD2 4.21Å; Q396-Y433 HydrophobicContact CG-CE2 4.26Å; Q396-Y433 WeakPolarHBondContact O-CA 3.08Å; Q396-Y433 VanDerWaalsContact O-CD2 3.24Å; Q396-Y433 WeakPolarHBondContact O-CD2 3.29Å; Q396-I434 PolarHBondContact O-N 3.23Å; Q396-I434 VanDerWaalsContact O-N 3.11Å
397	W	98.8	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.2	-179.6	-66	50.5	0	0	0	111.2	H367 L368 C369 I434 W511 F591 L593 F665	H367-W397 HydrophobicContact CB-CZ2 4.49Å; H367-W397 AromaticContact CG-NE1 3.59Å; H367-W397 AromaticContact ND1-CE2 3.37Å; H367-W397 AromaticContact ND1-CZ2 3.22Å; H367-W397 WeakPolarHBondContact ND1-CZ2 3.36Å; H367-W397 AromaticContact ND1-NE1 3.02Å; H367-W397 PolarHBondContact ND1-NE1 3.44Å; L368-W397 PolarHBondContact O-N 2.95Å; C369-W397 HydrophobicContact CB-CB 3.54Å; C369-W397 HydrophobicContact CB-CD2 4.47Å; C369-W397 HydrophobicContact CB-CG 4.04Å; C369-W397 WeakPolarHBondContact SG-CB 3.45Å; W397-I434 VanDerWaalsContact CA-O 3.28Å; W397-I434 WeakPolarHBondContact CA-O 3.23Å; W397-I434 HydrophobicContact CD2-CB 3.91Å; W397-I434 HydrophobicContact CD2-CG2 3.83Å; W397-I434 HydrophobicContact CE3-CB 4.39Å; W397-I434 HydrophobicContact CE3-CG2 3.79Å; W397-I434 HydrophobicContact CG-CB 4.18Å; W397-I434 HydrophobicContact CH2-CD1 4.21Å; W397-I434 HydrophobicContact CH2-CG2 3.9Å; W397-I434 HydrophobicContact CZ2-CB 4.23Å; W397-I434 HydrophobicContact CZ2-CD1 3.5Å; W397-I434 HydrophobicContact CZ2-CG1 4.42Å; W397-I434 HydrophobicContact CZ2-CG2 3.97Å; W397-I434 HydrophobicContact CZ3-CG2 3.85Å; W397-W511 HydrophobicContact CE3-CB 4.26Å; W397-W511 HydrophobicContact CE3-CD2 4.14Å; W397-W511 AromaticContact CE3-CE3 3.65Å; W397-W511 HydrophobicContact CE3-CE3 3.65Å; W397-W511 HydrophobicContact CE3-CG 4.41Å; W397-W511 HydrophobicContact CE3-CZ3 4.41Å; W397-W511 HydrophobicContact CH2-CB 4.27Å; W397-W511 HydrophobicContact CZ3-CB 3.57Å; W397-W511 AromaticContact CZ3-CD2 3.82Å; W397-W511 HydrophobicContact CZ3-CD2 3.82Å; W397-W511 AromaticContact CZ3-CE3 3.83Å; W397-W511 HydrophobicContact CZ3-CE3 3.83Å; W397-W511 AromaticContact CZ3-CG 3.72Å; W397-W511 HydrophobicContact CZ3-CG 3.72Å; W397-F591 AromaticContact CH2-CE1 3.86Å; W397-F591 HydrophobicContact CH2-CE1 3.86Å; W397-F591 HydrophobicContact CH2-CZ 4.26Å; W397-F591 AromaticContact CZ2-CE1 3.85Å; W397-F591 HydrophobicContact CZ2-CE1 3.85Å; W397-F591 HydrophobicContact CZ2-CZ 4.13Å; W397-L593 HydrophobicContact CH2-CB 4.23Å; W397-L593 HydrophobicContact CH2-CD2 3.65Å; W397-L593 HydrophobicContact CZ3-CD2 3.95Å; W397-F665 AromaticContact CH2-CZ 3.99Å; W397-F665 HydrophobicContact CH2-CZ 3.99Å; W397-F665 HydrophobicContact CZ2-CE2 4.24Å; W397-F665 HydrophobicContact CZ2-CZ 4.01Å
398	N	98.8	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.1	161.4	-86.3	103.1	0	0	0	111.3	Y373 T379 Y402 Y433 I434 I435 I436	Y373-N398 PolarHBondContact O-ND2 3.33Å; T379-N398 WeakPolarHBondContact CG2-OD1 3.46Å; T379-N398 PolarHBondContact OG1-ND2 2.92Å; T379-N398 VanDerWaalsContact OG1-ND2 3.16Å; T379-N398 PolarHBondContact OG1-OD1 3.35Å; T379-N398 VanDerWaalsContact OG1-OD1 3.09Å; N398-Y402 HydrophobicContact CB-CD1 4.45Å; N398-Y433 WeakPolarHBondContact CB-OH 3.45Å; N398-Y433 WeakPolarHBondContact OD1-CE2 3.46Å; N398-Y433 PolarHBondContact OD1-OH 3Å; N398-I434 PolarHBondContact N-O 3.21Å; N398-I435 WeakPolarHBondContact O-CA 3.46Å; N398-I436 PolarHBondContact O-N 3.25Å
399	D	98.4	Very high	98.1	Very high	9 Å²	9	22.6 Å²	22.6	5%	0.048	11%	0.106	C	C	.	.			trans	-69.9	-177.8	162.3	-151.9	-62.6	0	0	0	111	R370 W371 D401 Y402 I436 W511 H669	R370-D399 WeakPolarHBondContact O-CB 3.16Å; W371-D399 HydrophobicContact CB-CB 4.23Å; W371-D399 WeakPolarHBondContact CB-OD2 3.11Å; W371-D399 HydrophobicContact CG-CB 4.41Å; D399-D401 PolarHBondContact O-N 3.05Å; D399-Y402 VanDerWaalsContact O-CD1 3.26Å; D399-Y402 WeakPolarHBondContact O-CD1 3.21Å; D399-Y402 PolarHBondContact O-N 2.89Å; D399-I436 VanDerWaalsContact C-CG2 3.48Å; D399-W511 HydrophobicContact CB-CZ3 4.49Å; D399-H669 IonicContact OD2-CE1 3.07Å; D399-H669 PolarHBondContact OD2-CE1 2.84Å; D399-H669 IonicContact OD2-NE2 3.84Å
400	L	97.3	Very high	98.1	Very high	5 Å²	5	23 Å²	23	3%	0.026	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-54.4	-6.2	-175.5	-67.3	170.3	0	0	0	115.6	Y402 A403 R406 I436 D438 W476	L400-Y402 PolarHBondContact O-N 2.99Å; L400-A403 PolarHBondContact O-N 2.93Å; L400-R406 HydrophobicContact CB-CG 4.5Å; L400-I436 HydrophobicContact CB-CG2 4.42Å; L400-I436 HydrophobicContact CD2-CG2 3.71Å; L400-I436 HydrophobicContact CG-CD1 4.28Å; L400-I436 HydrophobicContact CG-CG2 3.74Å; L400-I436 VanDerWaalsContact N-CG2 3.31Å; L400-D438 WeakPolarHBondContact CD2-OD2 3.38Å; L400-W476 HydrophobicContact CD1-CB 3.89Å; L400-W476 HydrophobicContact CD1-CD2 3.98Å; L400-W476 HydrophobicContact CD1-CG 3.44Å; L400-W476 VanDerWaalsContact CD1-CG 3.44Å
401	D	97.9	Very high	98.1	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.053	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32.4	167.9	-65.7	-64.7	0	0	0	112.9	G372 Y373 D399 A403 R415 F416	G372-D401 VanDerWaalsContact CA-OD2 3.29Å; G372-D401 WeakPolarHBondContact CA-OD2 3.39Å; G372-D401 PolarHBondContact N-OD2 2.83Å; Y373-D401 PolarHBondContact N-OD2 2.65Å; Y373-D401 WeakPolarHBondContact O-CB 3.37Å; D399-D401 PolarHBondContact O-N 3.05Å; D401-A403 VanDerWaalsContact C-N 3.34Å; D401-R415 VanDerWaalsContact O-CZ 3.27Å; D401-R415 PolarHBondContact O-NH1 3.06Å; D401-R415 PolarHBondContact O-NH2 3.19Å; D401-F416 HydrophobicContact CB-CE2 4.34Å; D401-F416 HydrophobicContact CB-CZ 4.4Å; D401-F416 WeakPolarHBondContact O-CE2 3.35Å
402	Y	98.4	Very high	98	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-66.4	-34.6	-179.7	82.6	-95.6	0	0	0	112.7	N398 D399 L400 T410 F411 D412 I435 I436 F501	N398-Y402 HydrophobicContact CB-CD1 4.45Å; D399-Y402 VanDerWaalsContact O-CD1 3.26Å; D399-Y402 WeakPolarHBondContact O-CD1 3.21Å; D399-Y402 PolarHBondContact O-N 2.89Å; L400-Y402 PolarHBondContact O-N 2.99Å; Y402-T410 WeakPolarHBondContact CD2-O 3.48Å; Y402-T410 WeakPolarHBondContact CE2-O 3.49Å; Y402-F411 HydrophobicContact CD2-CB 4.28Å; Y402-F411 CarbonylContact O-C 3.52Å; Y402-F411 WeakPolarHBondContact O-CA 3.39Å; Y402-D412 PolarHBondContact O-N 3.48Å; Y402-I435 HydrophobicContact CD1-CB 4.06Å; Y402-I435 HydrophobicContact CD1-CG2 4.03Å; Y402-I435 HydrophobicContact CE1-CB 3.69Å; Y402-I435 HydrophobicContact CE1-CD1 4.35Å; Y402-I435 HydrophobicContact CE1-CG1 4.47Å; Y402-I435 HydrophobicContact CE1-CG2 4.15Å; Y402-I435 HydrophobicContact CE2-CD1 4.04Å; Y402-I435 HydrophobicContact CG-CG2 4.36Å; Y402-I436 HydrophobicContact CE1-CG2 3.88Å; Y402-I436 VanDerWaalsContact CE1-O 3.28Å; Y402-I436 WeakPolarHBondContact CE1-O 3.32Å; Y402-I436 PolarHBondContact OH-O 3.25Å; Y402-F501 HydrophobicContact CE2-CE2 4.49Å; Y402-F501 HydrophobicContact CE2-CZ 4.16Å
403	A	97.6	Very high	98	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	13%	0.125	C	C	.	.	S	Bend	trans	-81.3	139.2	-165.4	0	0	0	0	0	113.1	L400 D401 K405 R406	L400-A403 PolarHBondContact O-N 2.93Å; D401-A403 VanDerWaalsContact C-N 3.34Å; A403-K405 PolarHBondContact O-N 3.09Å; A403-K405 VanDerWaalsContact O-N 3.08Å; A403-R406 PolarHBondContact O-N 2.59Å
404	D	97.6	Very high	97.9	Very high	30 Å²	30	32.2 Å²	32.2	16%	0.16	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-67.9	111.7	176.7	174.9	44.6	0	0	0	110	R406 R407 T410	D404-R406 PolarHBondContact O-N 2.89Å; D404-R407 WeakPolarHBondContact O-CB 3.42Å; D404-R407 WeakPolarHBondContact O-CG 3.43Å; D404-R407 PolarHBondContact O-N 2.83Å; D404-R407 VanDerWaalsContact O-N 3.11Å; D404-R407 PolarHBondContact O-NE 2.7Å; D404-R407 IonicContact OD2-CZ 3.23Å; D404-R407 IonicContact OD2-NE 3.8Å; D404-R407 IonicContact OD2-NH2 3.75Å; D404-R407 PolarHBondContact OD2-NH2 2.82Å; D404-T410 WeakPolarHBondContact CB-OG1 3.5Å; D404-T410 PolarHBondContact N-OG1 3.4Å
405	K	96.5	Very high	97.9	Very high	154 Å²	154	35.8 Å²	35.8	67%	0.67	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	54.3	34.3	-174	-56	166.7	-168	172	0	112.6	A403 R407	A403-K405 PolarHBondContact O-N 3.09Å; A403-K405 VanDerWaalsContact O-N 3.08Å; K405-R407 PolarHBondContact O-N 3.11Å
406	R	97.1	Very high	97.9	Very high	96 Å²	96	35.8 Å²	35.8	36%	0.362	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	60.8	25.3	-177.5	-47.3	179.1	-170.7	152.5	-15	114.1	L400 A403 D404 W476	L400-R406 HydrophobicContact CB-CG 4.5Å; A403-R406 PolarHBondContact O-N 2.59Å; D404-R406 PolarHBondContact O-N 2.89Å; R406-W476 HydrophobicContact CB-CB 4.16Å; R406-W476 WeakPolarHBondContact CD-O 3.19Å; R406-W476 PolarHBondContact NH1-O 2.79Å; R406-W476 VanDerWaalsContact NH1-O 3.16Å
407	R	97.7	Very high	97.8	Very high	27 Å²	27	37.7 Å²	37.7	10%	0.102	20%	0.197	C	C	.	.			trans	-89.2	115.7	176	-60	-177.9	-63.7	154.8	6.3	109.6	D404 K405 T410 S445 T449 Y450 P477	D404-R407 WeakPolarHBondContact O-CB 3.42Å; D404-R407 WeakPolarHBondContact O-CG 3.43Å; D404-R407 PolarHBondContact O-N 2.83Å; D404-R407 VanDerWaalsContact O-N 3.11Å; D404-R407 PolarHBondContact O-NE 2.7Å; D404-R407 IonicContact OD2-CZ 3.23Å; D404-R407 IonicContact OD2-NE 3.8Å; D404-R407 IonicContact OD2-NH2 3.75Å; D404-R407 PolarHBondContact OD2-NH2 2.82Å; K405-R407 PolarHBondContact O-N 3.11Å; R407-T410 HydrophobicContact CB-CG2 4.22Å; R407-T410 WeakPolarHBondContact O-CB 3.11Å; R407-T410 PolarHBondContact O-N 2.75Å; R407-T410 PolarHBondContact O-OG1 3.17Å; R407-S445 WeakPolarHBondContact CD-OG 3.25Å; R407-S445 PolarHBondContact NH1-OG 3.12Å; R407-T449 PolarHBondContact NH1-O 3.3Å; R407-Y450 HydrophobicContact CB-CE2 3.91Å; R407-P477 HydrophobicContact CG-CB 4Å
408	V	96.8	Very high	97.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	153.8	174.3	-68.8	0	0	0	0	112.5	T410 L437 D438 I441 Y450	V408-T410 PolarHBondContact O-N 2.94Å; V408-L437 HydrophobicContact CB-CD1 3.72Å; V408-L437 HydrophobicContact CG1-CD1 3.89Å; V408-D438 HydrophobicContact CG1-CB 4.15Å; V408-I441 HydrophobicContact CG2-CD1 3.62Å; V408-Y450 WeakPolarHBondContact O-CE2 3.41Å; V408-Y450 PolarHBondContact O-OH 2.82Å
409	F	98.2	Very high	97.8	Very high	21 Å²	21	40.1 Å²	40.1	9%	0.092	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	22.6	-170.5	-46.7	-68.3	0	0	0	115.2	L437 I441 P452 W494 C497 I498 F501	F409-L437 HydrophobicContact CD1-CD1 4.16Å; F409-L437 HydrophobicContact CE1-CD1 3.69Å; F409-L437 HydrophobicContact CE1-CD2 4.17Å; F409-L437 HydrophobicContact CE2-CD1 4.32Å; F409-L437 HydrophobicContact CZ-CD1 3.79Å; F409-L437 HydrophobicContact CZ-CD2 4.2Å; F409-L437 HydrophobicContact CZ-CG 4.48Å; F409-I441 HydrophobicContact CE2-CD1 4.29Å; F409-P452 HydrophobicContact CB-CG 3.93Å; F409-P452 HydrophobicContact CD2-CB 4Å; F409-P452 HydrophobicContact CD2-CG 3.88Å; F409-P452 HydrophobicContact CG-CG 4.3Å; F409-W494 AromaticContact CE2-CE3 3.92Å; F409-W494 HydrophobicContact CE2-CE3 3.92Å; F409-W494 HydrophobicContact CE2-CH2 4.15Å; F409-W494 AromaticContact CE2-CZ3 3.51Å; F409-W494 HydrophobicContact CE2-CZ3 3.51Å; F409-W494 HydrophobicContact CZ-CD2 4.17Å; F409-W494 AromaticContact CZ-CE3 3.61Å; F409-W494 HydrophobicContact CZ-CE3 3.61Å; F409-W494 AromaticContact CZ-CH2 3.82Å; F409-W494 HydrophobicContact CZ-CH2 3.82Å; F409-W494 HydrophobicContact CZ-CZ2 4.32Å; F409-W494 AromaticContact CZ-CZ3 3.43Å; F409-W494 HydrophobicContact CZ-CZ3 3.43Å; F409-W494 VanDerWaalsContact CZ-CZ3 3.43Å; F409-C497 HydrophobicContact CD1-CB 3.99Å; F409-C497 WeakPolarHBondContact CD1-O 2.96Å; F409-C497 HydrophobicContact CD2-CB 3.92Å; F409-C497 HydrophobicContact CE1-CB 3.79Å; F409-C497 HydrophobicContact CE2-CB 3.71Å; F409-C497 HydrophobicContact CG-CB 4.05Å; F409-C497 HydrophobicContact CZ-CB 3.64Å; F409-I498 HydrophobicContact CE1-CG1 3.79Å; F409-I498 HydrophobicContact CZ-CG1 4.33Å; F409-F501 VanDerWaalsContact C-CD2 3.48Å; F409-F501 HydrophobicContact CB-CD2 4.44Å; F409-F501 HydrophobicContact CD1-CB 4.08Å
410	T	97.9	Very high	97.8	Very high	26 Å²	26	41.1 Å²	41.1	16%	0.16	22%	0.217	C	C	.	.			trans	-133.3	165.9	171.9	77.1	0	0	0	0	110.5	Y402 D404 R407 V408 Y450	Y402-T410 WeakPolarHBondContact CD2-O 3.48Å; Y402-T410 WeakPolarHBondContact CE2-O 3.49Å; D404-T410 WeakPolarHBondContact CB-OG1 3.5Å; D404-T410 PolarHBondContact N-OG1 3.4Å; R407-T410 HydrophobicContact CB-CG2 4.22Å; R407-T410 WeakPolarHBondContact O-CB 3.11Å; R407-T410 PolarHBondContact O-N 2.75Å; R407-T410 PolarHBondContact O-OG1 3.17Å; V408-T410 PolarHBondContact O-N 2.94Å; T410-Y450 HydrophobicContact CG2-CD2 4.14Å; T410-Y450 HydrophobicContact CG2-CE2 3.83Å
411	F	97.9	Very high	97.9	Very high	49 Å²	49	45.1 Å²	45.1	22%	0.215	24%	0.238	C	C	.	.			trans	-135.7	149.7	164.1	56.8	-96.5	0	0	0	110.4	Y402 P413 F416 L419 P420 F501 V505	Y402-F411 HydrophobicContact CD2-CB 4.28Å; Y402-F411 CarbonylContact O-C 3.52Å; Y402-F411 WeakPolarHBondContact O-CA 3.39Å; F411-P413 WeakPolarHBondContact O-CD 3.43Å; F411-F416 HydrophobicContact CB-CB 4.28Å; F411-F416 WeakPolarHBondContact CD2-O 3.49Å; F411-L419 HydrophobicContact CB-CD2 3.69Å; F411-L419 HydrophobicContact CD1-CD2 4.18Å; F411-L419 HydrophobicContact CD2-CB 4.46Å; F411-L419 HydrophobicContact CG-CD2 3.96Å; F411-P420 HydrophobicContact CZ-CG 4.29Å; F411-F501 HydrophobicContact CD1-CE2 4.11Å; F411-F501 HydrophobicContact CD1-CZ 4.5Å; F411-V505 HydrophobicContact CD1-CG2 3.88Å; F411-V505 HydrophobicContact CE1-CG2 3.74Å
412	D	98.1	Very high	97.9	Very high	21 Å²	21	44.7 Å²	44.7	11%	0.112	24%	0.235	C	C	.	.			trans	-63.5	116.6	-178.2	-176.2	-55.6	0	0	0	110	Y402 V414 R415 F416 G417	Y402-D412 PolarHBondContact O-N 3.48Å; D412-V414 PolarHBondContact O-N 3.19Å; D412-V414 VanDerWaalsContact O-N 3.1Å; D412-V414 PolarHBondContact OD1-N 2.92Å; D412-R415 HydrophobicContact CB-CB 4.23Å; D412-R415 PolarHBondContact OD1-N 3.33Å; D412-R415 IonicContact OD1-NE 2.78Å; D412-R415 IonicContact OD2-CZ 2.67Å; D412-R415 IonicContact OD2-NE 3.21Å; D412-R415 PolarHBondContact OD2-NE 3.35Å; D412-R415 IonicContact OD2-NH2 2.81Å; D412-R415 PolarHBondContact OD2-NH2 3.05Å; D412-F416 HydrophobicContact CB-CB 4.43Å; D412-F416 HydrophobicContact CB-CD2 4.34Å; D412-F416 CarbonylContact O-C 3.53Å; D412-F416 VanDerWaalsContact O-CA 3.23Å; D412-F416 WeakPolarHBondContact O-CA 3.33Å; D412-F416 WeakPolarHBondContact O-CB 3.35Å; D412-F416 PolarHBondContact O-N 2.91Å; D412-G417 PolarHBondContact O-N 3.46Å; D412-G417 VanDerWaalsContact O-N 3.17Å
413	P	97.2	Very high	97.9	Very high	92 Å²	92	44.6 Å²	44.6	60%	0.597	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.1	-171.5	28.8	-36.1	0	0	0	113.8	F411	F411-P413 WeakPolarHBondContact O-CD 3.43Å
414	V	97.8	Very high	98	Very high	132 Å²	132	48.7 Å²	48.7	80%	0.8	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-47.6	179.5	-178.6	0	0	0	0	111	D412	D412-V414 PolarHBondContact O-N 3.19Å; D412-V414 VanDerWaalsContact O-N 3.1Å; D412-V414 PolarHBondContact OD1-N 2.92Å
415	R	98.2	Very high	98	Very high	75 Å²	75	50.1 Å²	50.1	28%	0.283	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-23.7	-176.4	-64.3	-176.3	-60.3	109.9	5.8	113.4	T374 T375 T376 D401 D412	T374-R415 WeakPolarHBondContact O-CD 3.32Å; T374-R415 PolarHBondContact O-NH1 3.28Å; T375-R415 WeakPolarHBondContact CA-O 3.4Å; T375-R415 HydrophobicContact CG2-CB 4.06Å; T375-R415 HydrophobicContact CG2-CG 4.25Å; T376-R415 PolarHBondContact N-O 3Å; D401-R415 VanDerWaalsContact O-CZ 3.27Å; D401-R415 PolarHBondContact O-NH1 3.06Å; D401-R415 PolarHBondContact O-NH2 3.19Å; D412-R415 HydrophobicContact CB-CB 4.23Å; D412-R415 PolarHBondContact OD1-N 3.33Å; D412-R415 IonicContact OD1-NE 2.78Å; D412-R415 IonicContact OD2-CZ 2.67Å; D412-R415 IonicContact OD2-NE 3.21Å; D412-R415 PolarHBondContact OD2-NE 3.35Å; D412-R415 IonicContact OD2-NH2 2.81Å; D412-R415 PolarHBondContact OD2-NH2 3.05Å
416	F	98.6	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-133.8	20.5	-176.1	-75	-95.5	0	0	0	112.6	Y373 T374 T376 D401 F411 D412 D418 L419	Y373-F416 WeakPolarHBondContact O-CZ 3.35Å; T374-F416 WeakPolarHBondContact O-CE2 3.45Å; T376-F416 HydrophobicContact CG2-CB 4.29Å; T376-F416 HydrophobicContact CG2-CD1 3.53Å; T376-F416 HydrophobicContact CG2-CE1 4.15Å; T376-F416 HydrophobicContact CG2-CG 4.11Å; D401-F416 HydrophobicContact CB-CE2 4.34Å; D401-F416 HydrophobicContact CB-CZ 4.4Å; D401-F416 WeakPolarHBondContact O-CE2 3.35Å; F411-F416 HydrophobicContact CB-CB 4.28Å; F411-F416 WeakPolarHBondContact CD2-O 3.49Å; D412-F416 HydrophobicContact CB-CB 4.43Å; D412-F416 HydrophobicContact CB-CD2 4.34Å; D412-F416 CarbonylContact O-C 3.53Å; D412-F416 VanDerWaalsContact O-CA 3.23Å; D412-F416 WeakPolarHBondContact O-CA 3.33Å; D412-F416 WeakPolarHBondContact O-CB 3.35Å; D412-F416 PolarHBondContact O-N 2.91Å; F416-D418 PolarHBondContact O-N 2.75Å; F416-D418 VanDerWaalsContact O-N 3.13Å; F416-L419 HydrophobicContact CB-CB 4.24Å; F416-L419 HydrophobicContact CD1-CB 4.46Å; F416-L419 HydrophobicContact CD1-CD1 4.33Å; F416-L419 HydrophobicContact CD1-CD2 4.49Å; F416-L419 WeakPolarHBondContact O-CB 3.35Å; F416-L419 PolarHBondContact O-N 2.88Å
417	G	97.8	Very high	98.2	Very high	41 Å²	41	41.4 Å²	41.4	42%	0.423	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.4	-178.9	0	0	0	0	0	114.5	D412	D412-G417 PolarHBondContact O-N 3.46Å; D412-G417 VanDerWaalsContact O-N 3.17Å
418	D	98.3	Very high	98.2	Very high	51 Å²	51	47.6 Å²	47.6	27%	0.273	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	18.4	176.3	72.9	-46	0	0	0	113.4	T376 R380 F416 P420 D421 M422	T376-D418 WeakPolarHBondContact CB-OD1 3.39Å; T376-D418 WeakPolarHBondContact CG2-OD1 3.31Å; T376-D418 PolarHBondContact OG1-OD1 3.31Å; T376-D418 PolarHBondContact OG1-OD2 3Å; R380-D418 IonicContact CZ-OD2 3.91Å; R380-D418 IonicContact NH1-OD2 3.67Å; R380-D418 PolarHBondContact NH1-OD2 3.41Å; R380-D418 IonicContact NH2-OD2 2.89Å; R380-D418 PolarHBondContact NH2-OD2 3.21Å; F416-D418 PolarHBondContact O-N 2.75Å; F416-D418 VanDerWaalsContact O-N 3.13Å; D418-P420 VanDerWaalsContact C-CD 3.44Å; D418-P420 VanDerWaalsContact C-N 3.34Å; D418-D421 PolarHBondContact O-N 2.99Å; D418-M422 PolarHBondContact O-N 3.08Å
419	L	98.6	Very high	98.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-51.5	-43.2	176.5	173.7	59.5	0	0	0	113.4	T376 F411 F416 D421 M422 V423 Y433 V505	T376-L419 HydrophobicContact CG2-CB 4.24Å; F411-L419 HydrophobicContact CB-CD2 3.69Å; F411-L419 HydrophobicContact CD1-CD2 4.18Å; F411-L419 HydrophobicContact CD2-CB 4.46Å; F411-L419 HydrophobicContact CG-CD2 3.96Å; F416-L419 HydrophobicContact CB-CB 4.24Å; F416-L419 HydrophobicContact CD1-CB 4.46Å; F416-L419 HydrophobicContact CD1-CD1 4.33Å; F416-L419 HydrophobicContact CD1-CD2 4.49Å; F416-L419 WeakPolarHBondContact O-CB 3.35Å; F416-L419 PolarHBondContact O-N 2.88Å; L419-D421 VanDerWaalsContact C-N 3.29Å; L419-D421 PolarHBondContact O-N 3.01Å; L419-M422 HydrophobicContact CD1-CE 3.6Å; L419-M422 PolarHBondContact O-N 3.28Å; L419-V423 HydrophobicContact CD1-CG2 4.06Å; L419-V423 WeakPolarHBondContact O-CG2 3.39Å; L419-V423 PolarHBondContact O-N 3.45Å; L419-V423 VanDerWaalsContact O-N 3.09Å; L419-Y433 HydrophobicContact CD1-CE1 3.77Å; L419-Y433 WeakPolarHBondContact CD1-OH 3.49Å; L419-V505 HydrophobicContact CD1-CG1 4.36Å; L419-V505 HydrophobicContact CD2-CG1 4.13Å; L419-V505 HydrophobicContact CD2-CG2 4.01Å; L419-V505 HydrophobicContact CG-CG1 3.85Å; L419-V505 HydrophobicContact CG-CG2 4.01Å
420	P	98.6	Very high	98.2	Very high	30 Å²	30	52.7 Å²	52.7	20%	0.195	28%	0.28	C	S	.	.	H	α-helix	trans	-55.1	-41.5	174.1	-26.5	35	0	0	0	113.8	F411 D418 V423 Q424 K504 V505	F411-P420 HydrophobicContact CZ-CG 4.29Å; D418-P420 VanDerWaalsContact C-CD 3.44Å; D418-P420 VanDerWaalsContact C-N 3.34Å; P420-V423 PolarHBondContact O-N 3.2Å; P420-Q424 WeakPolarHBondContact O-CG 3.37Å; P420-Q424 PolarHBondContact O-N 3.44Å; P420-K504 WeakPolarHBondContact CB-O 3.44Å; P420-K504 WeakPolarHBondContact CG-O 3.21Å; P420-V505 HydrophobicContact CG-CG2 4.09Å
421	D	98.6	Very high	98.3	Very high	89 Å²	89	51.5 Å²	51.5	48%	0.476	27%	0.272	S	S	.	.	H	α-helix	trans	-71.1	-40.7	-179.1	-65	-39.9	0	0	0	111.1	D418 L419 V423 Q424 E425	D418-D421 PolarHBondContact O-N 2.99Å; L419-D421 VanDerWaalsContact C-N 3.29Å; L419-D421 PolarHBondContact O-N 3.01Å; D421-V423 VanDerWaalsContact C-N 3.33Å; D421-V423 PolarHBondContact O-N 3.49Å; D421-Q424 PolarHBondContact O-N 2.6Å; D421-E425 WeakPolarHBondContact O-CG 3.42Å; D421-E425 PolarHBondContact O-N 3.48Å
422	M	98.7	Very high	98.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-43.1	175	-174.2	179.8	71.7	0	0	112.1	T376 T379 R380 D418 L419 E425 F426 Y433	T376-M422 HydrophobicContact CG2-CB 4.41Å; T376-M422 HydrophobicContact CG2-CE 4.07Å; T376-M422 HydrophobicContact CG2-SD 3.92Å; T376-M422 VanDerWaalsContact O-SD 3.33Å; T379-M422 HydrophobicContact CG2-CE 3.77Å; T379-M422 HydrophobicContact CG2-SD 3.73Å; R380-M422 HydrophobicContact CG-CG 3.8Å; R380-M422 HydrophobicContact CG-SD 3.99Å; D418-M422 PolarHBondContact O-N 3.08Å; L419-M422 HydrophobicContact CD1-CE 3.6Å; L419-M422 PolarHBondContact O-N 3.28Å; M422-E425 WeakPolarHBondContact O-CB 3.46Å; M422-E425 PolarHBondContact O-N 3.43Å; M422-F426 HydrophobicContact CE-CE2 3.99Å; M422-F426 HydrophobicContact CG-CD2 4.25Å; M422-F426 HydrophobicContact CG-CE2 3.62Å; M422-F426 HydrophobicContact CG-CZ 3.77Å; M422-F426 WeakPolarHBondContact O-CG 3.44Å; M422-F426 PolarHBondContact O-N 3.33Å; M422-F426 VanDerWaalsContact O-N 3.09Å; M422-F426 HydrophobicContact SD-CE2 3.93Å; M422-F426 HydrophobicContact SD-CZ 4Å; M422-Y433 HydrophobicContact CE-CE2 3.79Å
423	V	98.8	Very high	98.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-43.9	177.6	176.5	0	0	0	0	110.9	L419 P420 D421 E425 F426 H427 Y433 V505 P506	L419-V423 HydrophobicContact CD1-CG2 4.06Å; L419-V423 WeakPolarHBondContact O-CG2 3.39Å; L419-V423 PolarHBondContact O-N 3.45Å; L419-V423 VanDerWaalsContact O-N 3.09Å; P420-V423 PolarHBondContact O-N 3.2Å; D421-V423 VanDerWaalsContact C-N 3.33Å; D421-V423 PolarHBondContact O-N 3.49Å; V423-E425 VanDerWaalsContact C-N 3.3Å; V423-E425 PolarHBondContact O-N 2.83Å; V423-F426 PolarHBondContact O-N 3.35Å; V423-F426 VanDerWaalsContact O-N 3.13Å; V423-H427 PolarHBondContact O-N 3.25Å; V423-Y433 HydrophobicContact CG2-CD1 3.34Å; V423-Y433 HydrophobicContact CG2-CE1 3.73Å; V423-Y433 HydrophobicContact CG2-CG 3.81Å; V423-V505 HydrophobicContact CG2-CG1 3.8Å; V423-P506 HydrophobicContact CG1-CG 4.06Å; V423-P506 WeakPolarHBondContact CG1-O 3.45Å
424	Q	98.6	Very high	98.4	Very high	86 Å²	86	45.4 Å²	45.4	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-35	174.5	-69.5	-178.6	32.5	0	0	113.1	P420 D421 K428	P420-Q424 WeakPolarHBondContact O-CG 3.37Å; P420-Q424 PolarHBondContact O-N 3.44Å; D421-Q424 PolarHBondContact O-N 2.6Å; Q424-K428 WeakPolarHBondContact O-CB 3.18Å; Q424-K428 WeakPolarHBondContact O-CD 3.44Å; Q424-K428 WeakPolarHBondContact O-CG 3.37Å; Q424-K428 PolarHBondContact O-N 3.2Å
425	E	98.4	Very high	98.5	Very high	61 Å²	61	39.2 Å²	39.2	29%	0.285	20%	0.198	S	C	.	.	H	α-helix	trans	-65.2	-37.3	173.6	-73.9	171	-132	0	0	112.7	R380 D421 M422 V423 K429	R380-E425 WeakPolarHBondContact CD-OE2 3.38Å; R380-E425 IonicContact CZ-OE1 3.6Å; R380-E425 VanDerWaalsContact CZ-OE1 3.26Å; R380-E425 IonicContact CZ-OE2 3.77Å; R380-E425 VanDerWaalsContact NE-CD 3.26Å; R380-E425 IonicContact NE-OE1 2.84Å; R380-E425 PolarHBondContact NE-OE1 3.16Å; R380-E425 IonicContact NE-OE2 2.83Å; R380-E425 PolarHBondContact NE-OE2 3.39Å; R380-E425 IonicContact NH2-OE1 3.16Å; R380-E425 PolarHBondContact NH2-OE1 2.98Å; D421-E425 WeakPolarHBondContact O-CG 3.42Å; D421-E425 PolarHBondContact O-N 3.48Å; M422-E425 WeakPolarHBondContact O-CB 3.46Å; M422-E425 PolarHBondContact O-N 3.43Å; V423-E425 VanDerWaalsContact C-N 3.3Å; V423-E425 PolarHBondContact O-N 2.83Å; E425-K429 WeakPolarHBondContact O-CD 3.35Å; E425-K429 WeakPolarHBondContact O-CG 3.45Å; E425-K429 PolarHBondContact O-N 3.45Å
426	F	98.7	Very high	98.5	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-45.4	174.4	-66.8	-29.4	0	0	0	111.4	T379 A383 Q396 M422 V423 K428 K429 G430 M431 Y433	T379-F426 HydrophobicContact CG2-CE2 4.09Å; T379-F426 HydrophobicContact CG2-CZ 4.02Å; A383-F426 HydrophobicContact CB-CE1 3.72Å; A383-F426 HydrophobicContact CB-CZ 4.18Å; Q396-F426 HydrophobicContact CB-CD2 4.3Å; Q396-F426 HydrophobicContact CB-CE2 3.95Å; Q396-F426 HydrophobicContact CB-CZ 4.31Å; Q396-F426 HydrophobicContact CG-CE2 3.73Å; Q396-F426 HydrophobicContact CG-CZ 3.96Å; M422-F426 HydrophobicContact CE-CE2 3.99Å; M422-F426 HydrophobicContact CG-CD2 4.25Å; M422-F426 HydrophobicContact CG-CE2 3.62Å; M422-F426 HydrophobicContact CG-CZ 3.77Å; M422-F426 WeakPolarHBondContact O-CG 3.44Å; M422-F426 PolarHBondContact O-N 3.33Å; M422-F426 VanDerWaalsContact O-N 3.09Å; M422-F426 HydrophobicContact SD-CE2 3.93Å; M422-F426 HydrophobicContact SD-CZ 4Å; V423-F426 PolarHBondContact O-N 3.35Å; V423-F426 VanDerWaalsContact O-N 3.13Å; F426-K428 VanDerWaalsContact C-N 3.33Å; F426-K428 PolarHBondContact O-N 3.17Å; F426-K429 CarbonylContact O-C 3.28Å; F426-K429 WeakPolarHBondContact O-CA 3.36Å; F426-K429 WeakPolarHBondContact O-CB 3.18Å; F426-K429 PolarHBondContact O-N 2.97Å; F426-G430 PolarHBondContact O-N 3.11Å; F426-M431 HydrophobicContact CB-CB 4.04Å; F426-M431 HydrophobicContact CD1-SD 4.11Å; F426-M431 WeakPolarHBondContact O-CB 3.2Å; F426-M431 PolarHBondContact O-N 3.27Å; F426-Y433 AromaticContact CD2-CD2 3.92Å; F426-Y433 HydrophobicContact CD2-CD2 3.92Å; F426-Y433 HydrophobicContact CD2-CG 4.45Å; F426-Y433 AromaticContact CE2-CD2 3.94Å; F426-Y433 HydrophobicContact CE2-CD2 3.94Å; F426-Y433 HydrophobicContact CE2-CE2 4.27Å
427	H	98.7	Very high	98.5	Very high	65 Å²	65	35.8 Å²	35.8	30%	0.301	19%	0.185	S	C	.	.	H	α-helix	trans	-58.1	-42.3	175	-68.2	172.8	0	0	0	112.7	V423 K429 G430 P506 D508	V423-H427 PolarHBondContact O-N 3.25Å; H427-K429 PolarHBondContact O-N 2.9Å; H427-K429 VanDerWaalsContact O-N 3.15Å; H427-G430 PolarHBondContact O-N 2.83Å; H427-P506 PolarHBondContact CE1-O 2.81Å; H427-D508 IonicContact CD2-OD1 2.73Å; H427-D508 IonicContact CD2-OD2 3.2Å; H427-D508 IonicContact CE1-OD1 2.69Å; H427-D508 IonicContact CE1-OD2 3.86Å; H427-D508 VanDerWaalsContact NE2-CG 3.35Å; H427-D508 IonicContact NE2-OD1 2.8Å; H427-D508 PolarHBondContact NE2-OD1 3.11Å; H427-D508 IonicContact NE2-OD2 2.67Å; H427-D508 PolarHBondContact NE2-OD2 2.74Å
428	K	98.3	Very high	98.5	Very high	158 Å²	158	33.9 Å²	33.9	69%	0.687	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.8	174.6	-73.3	163.1	-168.9	160.7	0	113.8	Q424 F426	Q424-K428 WeakPolarHBondContact O-CB 3.18Å; Q424-K428 WeakPolarHBondContact O-CD 3.44Å; Q424-K428 WeakPolarHBondContact O-CG 3.37Å; Q424-K428 PolarHBondContact O-N 3.2Å; F426-K428 VanDerWaalsContact C-N 3.33Å; F426-K428 PolarHBondContact O-N 3.17Å
429	K	97.3	Very high	98.5	Very high	112 Å²	112	31.5 Å²	31.5	49%	0.487	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.4	175.3	-64.1	168.5	-170.6	167.6	0	112.8	E425 F426 H427 M431	E425-K429 WeakPolarHBondContact O-CD 3.35Å; E425-K429 WeakPolarHBondContact O-CG 3.45Å; E425-K429 PolarHBondContact O-N 3.45Å; F426-K429 CarbonylContact O-C 3.28Å; F426-K429 WeakPolarHBondContact O-CA 3.36Å; F426-K429 WeakPolarHBondContact O-CB 3.18Å; F426-K429 PolarHBondContact O-N 2.97Å; H427-K429 PolarHBondContact O-N 2.9Å; H427-K429 VanDerWaalsContact O-N 3.15Å; K429-M431 HydrophobicContact CB-CG 4.33Å; K429-M431 PolarHBondContact O-N 3.3Å
430	G	97.8	Very high	98.5	Very high	17 Å²	17	31.6 Å²	31.6	18%	0.175	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-4.1	-176.2	0	0	0	0	0	114.8	F426 H427 K432	F426-G430 PolarHBondContact O-N 3.11Å; H427-G430 PolarHBondContact O-N 2.83Å; G430-K432 PolarHBondContact O-NZ 2.89Å
431	M	98.7	Very high	98.5	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.144	C	C	.	.			trans	-72.2	174	178.3	-59.6	178.5	78	0	0	111.6	A383 H387 M393 D394 Q396 F426 K429 T810	A383-M431 HydrophobicContact CB-CE 4.04Å; A383-M431 HydrophobicContact CB-SD 4.43Å; H387-M431 VanDerWaalsContact CE1-SD 3.53Å; M393-M431 HydrophobicContact CE-CE 3.88Å; M393-M431 HydrophobicContact CG-CE 4.02Å; M393-M431 HydrophobicContact SD-CE 4.07Å; D394-M431 CarbonylContact O-C 3.39Å; D394-M431 VanDerWaalsContact O-CA 3.24Å; D394-M431 WeakPolarHBondContact O-CA 3.19Å; D394-M431 WeakPolarHBondContact O-CB 3.39Å; Q396-M431 HydrophobicContact CB-CE 4.5Å; F426-M431 HydrophobicContact CB-CB 4.04Å; F426-M431 HydrophobicContact CD1-SD 4.11Å; F426-M431 WeakPolarHBondContact O-CB 3.2Å; F426-M431 PolarHBondContact O-N 3.27Å; K429-M431 HydrophobicContact CB-CG 4.33Å; K429-M431 PolarHBondContact O-N 3.3Å; M431-T810 HydrophobicContact CG-CG2 3.97Å
432	K	98.8	Very high	98.5	Very high	35 Å²	35	26.1 Å²	26.1	15%	0.152	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	161	176.2	-58.1	-71.2	162.9	-65.5	0	109.8	W362 D394 V395 Q396 G430 D508	W362-K432 HydrophobicContact CB-CG 4.22Å; W362-K432 HydrophobicContact CD2-CB 4.41Å; W362-K432 HydrophobicContact CD2-CD 4.08Å; W362-K432 HydrophobicContact CD2-CG 3.63Å; W362-K432 HydrophobicContact CE3-CB 4.04Å; W362-K432 HydrophobicContact CE3-CG 3.72Å; W362-K432 HydrophobicContact CG-CD 4.19Å; W362-K432 HydrophobicContact CG-CG 3.86Å; W362-K432 HydrophobicContact CZ3-CB 4.21Å; W362-K432 HydrophobicContact CZ3-CG 4.32Å; D394-K432 PolarHBondContact O-N 2.98Å; V395-K432 WeakPolarHBondContact CA-O 3.21Å; V395-K432 HydrophobicContact CB-CB 4.43Å; V395-K432 HydrophobicContact CG1-CB 4Å; V395-K432 HydrophobicContact CG2-CB 4.11Å; Q396-K432 PolarHBondContact N-O 2.76Å; G430-K432 PolarHBondContact O-NZ 2.89Å; K432-D508 VanDerWaalsContact CA-OD2 3.24Å; K432-D508 WeakPolarHBondContact CA-OD2 3.25Å; K432-D508 HydrophobicContact CB-CB 3.98Å; K432-D508 HydrophobicContact CD-CB 3.8Å; K432-D508 WeakPolarHBondContact CD-OD1 3.39Å; K432-D508 HydrophobicContact CG-CB 4.4Å
433	Y	98.8	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.9	-178.3	-173.1	-106.8	0	0	0	112.4	Q396 N398 L419 M422 V423 F426 I435 V507 D508	Q396-Y433 HydrophobicContact CB-CD2 4.22Å; Q396-Y433 HydrophobicContact CG-CD2 4.21Å; Q396-Y433 HydrophobicContact CG-CE2 4.26Å; Q396-Y433 WeakPolarHBondContact O-CA 3.08Å; Q396-Y433 VanDerWaalsContact O-CD2 3.24Å; Q396-Y433 WeakPolarHBondContact O-CD2 3.29Å; N398-Y433 WeakPolarHBondContact CB-OH 3.45Å; N398-Y433 WeakPolarHBondContact OD1-CE2 3.46Å; N398-Y433 PolarHBondContact OD1-OH 3Å; L419-Y433 HydrophobicContact CD1-CE1 3.77Å; L419-Y433 WeakPolarHBondContact CD1-OH 3.49Å; M422-Y433 HydrophobicContact CE-CE2 3.79Å; V423-Y433 HydrophobicContact CG2-CD1 3.34Å; V423-Y433 HydrophobicContact CG2-CE1 3.73Å; V423-Y433 HydrophobicContact CG2-CG 3.81Å; F426-Y433 AromaticContact CD2-CD2 3.92Å; F426-Y433 HydrophobicContact CD2-CD2 3.92Å; F426-Y433 HydrophobicContact CD2-CG 4.45Å; F426-Y433 AromaticContact CE2-CD2 3.94Å; F426-Y433 HydrophobicContact CE2-CD2 3.94Å; F426-Y433 HydrophobicContact CE2-CE2 4.27Å; Y433-I435 HydrophobicContact CD1-CG2 4.29Å; Y433-I435 HydrophobicContact CE1-CG2 3.47Å; Y433-I435 VanDerWaalsContact CE1-CG2 3.47Å; Y433-V507 HydrophobicContact CD1-CG1 4.07Å; Y433-V507 HydrophobicContact CE1-CG1 4.41Å; Y433-D508 PolarHBondContact N-OD2 3.39Å; Y433-D508 PolarHBondContact O-N 3.34Å
434	I	98.8	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.2	-178.5	-66.5	-177.2	0	0	0	109.9	W362 V395 Q396 W397 N398 W511 F591	W362-I434 HydrophobicContact CH2-CD1 4.12Å; W362-I434 HydrophobicContact CZ3-CD1 4.06Å; V395-I434 HydrophobicContact CG1-CB 4.34Å; V395-I434 HydrophobicContact CG1-CD1 3.8Å; V395-I434 HydrophobicContact CG1-CG1 3.79Å; Q396-I434 PolarHBondContact O-N 3.23Å; Q396-I434 VanDerWaalsContact O-N 3.11Å; W397-I434 VanDerWaalsContact CA-O 3.28Å; W397-I434 WeakPolarHBondContact CA-O 3.23Å; W397-I434 HydrophobicContact CD2-CB 3.91Å; W397-I434 HydrophobicContact CD2-CG2 3.83Å; W397-I434 HydrophobicContact CE3-CB 4.39Å; W397-I434 HydrophobicContact CE3-CG2 3.79Å; W397-I434 HydrophobicContact CG-CB 4.18Å; W397-I434 HydrophobicContact CH2-CD1 4.21Å; W397-I434 HydrophobicContact CH2-CG2 3.9Å; W397-I434 HydrophobicContact CZ2-CB 4.23Å; W397-I434 HydrophobicContact CZ2-CD1 3.5Å; W397-I434 HydrophobicContact CZ2-CG1 4.42Å; W397-I434 HydrophobicContact CZ2-CG2 3.97Å; W397-I434 HydrophobicContact CZ3-CG2 3.85Å; N398-I434 PolarHBondContact N-O 3.21Å; I434-W511 HydrophobicContact CG2-CB 4.07Å; I434-F591 HydrophobicContact CD1-CD1 3.34Å; I434-F591 HydrophobicContact CD1-CE1 3.44Å; I434-F591 VanDerWaalsContact CD1-CE1 3.44Å; I434-F591 HydrophobicContact CD1-CG 4.22Å; I434-F591 HydrophobicContact CD1-CZ 4.38Å
435	I	98.6	Very high	98	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.8	173.7	58.5	173.9	0	0	0	110.8	N398 Y402 Y433 F501 V507 L510 W511	N398-I435 WeakPolarHBondContact O-CA 3.46Å; Y402-I435 HydrophobicContact CD1-CB 4.06Å; Y402-I435 HydrophobicContact CD1-CG2 4.03Å; Y402-I435 HydrophobicContact CE1-CB 3.69Å; Y402-I435 HydrophobicContact CE1-CD1 4.35Å; Y402-I435 HydrophobicContact CE1-CG1 4.47Å; Y402-I435 HydrophobicContact CE1-CG2 4.15Å; Y402-I435 HydrophobicContact CE2-CD1 4.04Å; Y402-I435 HydrophobicContact CG-CG2 4.36Å; Y433-I435 HydrophobicContact CD1-CG2 4.29Å; Y433-I435 HydrophobicContact CE1-CG2 3.47Å; Y433-I435 VanDerWaalsContact CE1-CG2 3.47Å; I435-F501 HydrophobicContact CD1-CD1 4.13Å; I435-F501 HydrophobicContact CD1-CE1 3.32Å; I435-F501 HydrophobicContact CD1-CZ 3.74Å; I435-V507 HydrophobicContact CD1-CG1 4.04Å; I435-V507 HydrophobicContact CG1-CG1 4.13Å; I435-V507 HydrophobicContact CG2-CG1 4.42Å; I435-L510 HydrophobicContact CD1-CD2 4.37Å; I435-L510 HydrophobicContact CG1-CD2 3.94Å; I435-W511 PolarHBondContact O-N 3.4Å
436	I	98.8	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	147.1	166.4	-166.1	175.4	0	0	0	111.6	N398 D399 L400 Y402 W511 D513	N398-I436 PolarHBondContact O-N 3.25Å; D399-I436 VanDerWaalsContact C-CG2 3.48Å; L400-I436 HydrophobicContact CB-CG2 4.42Å; L400-I436 HydrophobicContact CD2-CG2 3.71Å; L400-I436 HydrophobicContact CG-CD1 4.28Å; L400-I436 HydrophobicContact CG-CG2 3.74Å; L400-I436 VanDerWaalsContact N-CG2 3.31Å; Y402-I436 HydrophobicContact CE1-CG2 3.88Å; Y402-I436 VanDerWaalsContact CE1-O 3.28Å; Y402-I436 WeakPolarHBondContact CE1-O 3.32Å; Y402-I436 PolarHBondContact OH-O 3.25Å; I436-W511 CarbonylContact C-O 3.57Å; I436-W511 VanDerWaalsContact CA-O 3.3Å; I436-W511 WeakPolarHBondContact CA-O 3.5Å; I436-W511 HydrophobicContact CB-CD2 3.88Å; I436-W511 HydrophobicContact CB-CE3 3.55Å; I436-W511 HydrophobicContact CB-CG 4.43Å; I436-W511 HydrophobicContact CB-CH2 4.48Å; I436-W511 HydrophobicContact CB-CZ3 3.88Å; I436-W511 HydrophobicContact CD1-CD2 4.23Å; I436-W511 HydrophobicContact CD1-CE3 4.25Å; I436-W511 HydrophobicContact CD1-CH2 3.74Å; I436-W511 HydrophobicContact CD1-CZ2 3.71Å; I436-W511 HydrophobicContact CD1-CZ3 4.02Å; I436-W511 HydrophobicContact CG1-CD2 3.81Å; I436-W511 HydrophobicContact CG1-CE3 3.95Å; I436-W511 HydrophobicContact CG1-CG 4.28Å; I436-W511 HydrophobicContact CG1-CH2 4.35Å; I436-W511 HydrophobicContact CG1-CZ2 4.24Å; I436-W511 HydrophobicContact CG1-CZ3 4.21Å; I436-D513 HydrophobicContact CD1-CB 3.75Å; I436-D513 HydrophobicContact CG1-CB 3.85Å
437	L	98.5	Very high	97.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	98.9	-179.2	-173.4	71.1	0	0	0	109.9	V408 F409 W494 I498 L510 W511 I512	V408-L437 HydrophobicContact CB-CD1 3.72Å; V408-L437 HydrophobicContact CG1-CD1 3.89Å; F409-L437 HydrophobicContact CD1-CD1 4.16Å; F409-L437 HydrophobicContact CE1-CD1 3.69Å; F409-L437 HydrophobicContact CE1-CD2 4.17Å; F409-L437 HydrophobicContact CE2-CD1 4.32Å; F409-L437 HydrophobicContact CZ-CD1 3.79Å; F409-L437 HydrophobicContact CZ-CD2 4.2Å; F409-L437 HydrophobicContact CZ-CG 4.48Å; L437-W494 HydrophobicContact CD1-CH2 4.46Å; L437-W494 HydrophobicContact CD2-CH2 3.93Å; L437-W494 HydrophobicContact CD2-CZ2 3.42Å; L437-W494 VanDerWaalsContact CD2-CZ2 3.42Å; L437-W494 HydrophobicContact CG-CH2 3.96Å; L437-W494 HydrophobicContact CG-CZ2 3.89Å; L437-I498 HydrophobicContact CD2-CG1 4.5Å; L437-L510 HydrophobicContact CD2-CD1 3.95Å; L437-L510 HydrophobicContact CD2-CD2 4.3Å; L437-W511 PolarHBondContact N-O 3.38Å; L437-I512 HydrophobicContact CB-CG2 4.43Å; L437-I512 HydrophobicContact CD2-CG2 4.46Å; L437-I512 WeakPolarHBondContact O-CA 3.33Å
438	D	98.6	Very high	97.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	21%	0.213	C	C	.	.			trans	-74.1	148.7	173.2	-47.7	-29.1	0	0	0	111.8	L400 V408 G440	L400-D438 WeakPolarHBondContact CD2-OD2 3.38Å; V408-D438 HydrophobicContact CG1-CB 4.15Å; D438-G440 VanDerWaalsContact C-N 3.27Å; D438-G440 PolarHBondContact O-N 2.93Å
439	P	98.3	Very high	97	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	20%	0.2	C	C	.	.	S	Bend	trans	-70.1	-21	169.8	26.9	-34.1	0	0	0	113.1	I441 P483 F485 D513 N515 Y570 E574	P439-I441 WeakPolarHBondContact O-CG1 3.33Å; P439-I441 PolarHBondContact O-N 2.96Å; P439-I441 VanDerWaalsContact O-N 3.12Å; P439-P483 WeakPolarHBondContact O-CD 3.33Å; P439-F485 HydrophobicContact CB-CE2 4.19Å; P439-F485 HydrophobicContact CB-CZ 4.46Å; P439-D513 WeakPolarHBondContact CD-O 3.39Å; P439-N515 HydrophobicContact CG-CB 4.2Å; P439-Y570 HydrophobicContact CB-CE1 3.81Å; P439-Y570 HydrophobicContact CG-CE1 3.96Å; P439-E574 WeakPolarHBondContact CB-OE1 3.18Å
440	G	98.1	Very high	97	Very high	2 Å²	2	26 Å²	26	2%	0.021	18%	0.178	C	C	.	.			trans	-72.2	101	-172	0	0	0	0	0	114.2	D438 T480	D438-G440 VanDerWaalsContact C-N 3.27Å; D438-G440 PolarHBondContact O-N 2.93Å; G440-T480 WeakPolarHBondContact O-CG2 3.49Å
441	I	98.8	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.1	-177.5	-54	-55.6	0	0	0	111.4	V408 F409 P439 S443 Y450 P452 F453 F462 T480 A481 P483 W493 W494	V408-I441 HydrophobicContact CG2-CD1 3.62Å; F409-I441 HydrophobicContact CE2-CD1 4.29Å; P439-I441 WeakPolarHBondContact O-CG1 3.33Å; P439-I441 PolarHBondContact O-N 2.96Å; P439-I441 VanDerWaalsContact O-N 3.12Å; I441-S443 PolarHBondContact O-N 3.12Å; I441-Y450 HydrophobicContact CG2-CE1 3.66Å; I441-P452 HydrophobicContact CG2-CB 4.43Å; I441-F453 HydrophobicContact CG2-CB 3.78Å; I441-F453 HydrophobicContact CG2-CD2 4.1Å; I441-F453 HydrophobicContact CG2-CG 4.44Å; I441-F462 HydrophobicContact CB-CE1 3.94Å; I441-F462 HydrophobicContact CB-CZ 4.18Å; I441-F462 HydrophobicContact CG1-CE1 3.87Å; I441-F462 HydrophobicContact CG1-CZ 4.4Å; I441-F462 HydrophobicContact CG2-CE1 4.3Å; I441-F462 HydrophobicContact CG2-CZ 4.03Å; I441-T480 CarbonylContact O-C 3.6Å; I441-T480 WeakPolarHBondContact O-CA 3.46Å; I441-A481 PolarHBondContact N-O 3.03Å; I441-A481 PolarHBondContact O-N 2.82Å; I441-P483 HydrophobicContact CG1-CG 4.08Å; I441-W493 HydrophobicContact CD1-CH2 3.91Å; I441-W493 HydrophobicContact CD1-CZ2 4.35Å; I441-W493 HydrophobicContact CG1-CH2 3.74Å; I441-W493 HydrophobicContact CG1-CZ2 4.17Å; I441-W494 HydrophobicContact CD1-CZ3 4.27Å
442	S	98.4	Very high	97	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	117.2	-179.5	-178.6	0	0	0	0	112.8	Y450	S442-Y450 WeakPolarHBondContact O-CD1 3.43Å
443	S	97.6	Very high	97	Very high	26 Å²	26	29 Å²	29	18%	0.182	20%	0.195	C	C	.	.	S	Bend	trans	-94	-1.9	-176.6	61.7	0	0	0	0	114.5	I441 P479	I441-S443 PolarHBondContact O-N 3.12Å; S443-P479 PolarHBondContact N-O 2.92Å; S443-P479 PolarHBondContact OG-O 2.99Å; S443-P479 VanDerWaalsContact OG-O 3.13Å
444	T	96.4	Very high	96.9	Very high	87 Å²	87	31.2 Å²	31.2	53%	0.534	21%	0.205	S	C	.	.			trans	-111.6	7.3	-172.6	53.5	0	0	0	0	114.1	P479	T444-P479 HydrophobicContact CG2-CB 3.93Å; T444-P479 HydrophobicContact CG2-CG 3.85Å
445	S	92.1	Very high	96.9	Very high	22 Å²	22	34.1 Å²	34.1	15%	0.154	22%	0.22	C	C	.	.	S	Bend	trans	-66.1	141.7	174.4	-69.2	0	0	0	0	111	R407 Y450	R407-S445 WeakPolarHBondContact CD-OG 3.25Å; R407-S445 PolarHBondContact NH1-OG 3.12Å; S445-Y450 VanDerWaalsContact CB-CB 3.44Å
446	P	93.2	Very high	96.9	Very high	82 Å²	82	34 Å²	34	53%	0.532	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-56.5	144.3	175.8	-25.8	33.8	0	0	0	112.7	G448 T449	P446-G448 PolarHBondContact O-N 3.32Å; P446-T449 HydrophobicContact CB-CG2 4Å; P446-T449 WeakPolarHBondContact CD-OG1 3.36Å; P446-T449 WeakPolarHBondContact O-CB 3.4Å; P446-T449 PolarHBondContact O-N 3.17Å; P446-T449 VanDerWaalsContact O-N 3.14Å; P446-T449 PolarHBondContact O-OG1 3.49Å
447	P	91.9	Very high	96.9	Very high	128 Å²	128	37.1 Å²	37.1	83%	0.831	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	135.1	178.1	-26.7	35	0	0	0	113.1
448	G	92.7	Very high	96.9	Very high	64 Å²	64	44.1 Å²	44.1	66%	0.66	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	9.1	-176.3	0	0	0	0	0	114.5	P446 E454	P446-G448 PolarHBondContact O-N 3.32Å; G448-E454 VanDerWaalsContact CA-OE1 3.27Å; G448-E454 WeakPolarHBondContact CA-OE1 3.47Å; G448-E454 PolarHBondContact N-OE1 3.42Å; G448-E454 PolarHBondContact N-OE2 3.14Å
449	T	94.5	Very high	96.8	Very high	68 Å²	68	47.5 Å²	47.5	42%	0.417	28%	0.282	S	S	.	.	S	Bend	trans	-122.4	-2.8	-174.8	76.4	0	0	0	0	114.9	R407 P446 E454	R407-T449 PolarHBondContact NH1-O 3.3Å; P446-T449 HydrophobicContact CB-CG2 4Å; P446-T449 WeakPolarHBondContact CD-OG1 3.36Å; P446-T449 WeakPolarHBondContact O-CB 3.4Å; P446-T449 PolarHBondContact O-N 3.17Å; P446-T449 VanDerWaalsContact O-N 3.14Å; P446-T449 PolarHBondContact O-OG1 3.49Å; T449-E454 PolarHBondContact N-OE1 2.93Å; T449-E454 VanDerWaalsContact N-OE1 3.08Å
450	Y	97.9	Very high	96.8	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.012	30%	0.303	C	S	.	.			trans	-146.5	81.6	176.1	-165.9	-132.6	0	0	0	112.2	R407 V408 T410 I441 S442 S445 P452 F453 E454	R407-Y450 HydrophobicContact CB-CE2 3.91Å; V408-Y450 WeakPolarHBondContact O-CE2 3.41Å; V408-Y450 PolarHBondContact O-OH 2.82Å; T410-Y450 HydrophobicContact CG2-CD2 4.14Å; T410-Y450 HydrophobicContact CG2-CE2 3.83Å; I441-Y450 HydrophobicContact CG2-CE1 3.66Å; S442-Y450 WeakPolarHBondContact O-CD1 3.43Å; S445-Y450 VanDerWaalsContact CB-CB 3.44Å; Y450-P452 VanDerWaalsContact C-N 3.35Å; Y450-P452 HydrophobicContact CD2-CG 4.17Å; Y450-P452 HydrophobicContact CE1-CB 4.31Å; Y450-P452 HydrophobicContact CE2-CB 4.22Å; Y450-P452 HydrophobicContact CE2-CG 3.71Å; Y450-F453 HydrophobicContact CD1-CB 3.63Å; Y450-F453 HydrophobicContact CE1-CB 4.11Å; Y450-F453 PolarHBondContact O-N 3.27Å; Y450-E454 PolarHBondContact N-OE1 2.65Å; Y450-E454 PolarHBondContact O-N 3.45Å
451	P	97.8	Very high	96.9	Very high	68 Å²	68	51.5 Å²	51.5	44%	0.442	30%	0.302	S	S	.	.	H	α-helix	trans	-52.4	-35.7	-178.6	-27.7	35.7	0	0	0	116.4	F453 E454 N455	P451-F453 PolarHBondContact O-N 3.21Å; P451-E454 PolarHBondContact O-N 3.13Å; P451-N455 WeakPolarHBondContact O-CB 3.43Å; P451-N455 VanDerWaalsContact O-CG 3.27Å; P451-N455 PolarHBondContact O-N 2.68Å; P451-N455 PolarHBondContact O-ND2 3.14Å
452	P	98.3	Very high	96.9	Very high	12 Å²	12	51.8 Å²	51.8	8%	0.078	30%	0.304	C	S	.	.	H	α-helix	trans	-55.3	-48.3	176.8	-28.2	36	0	0	0	112.7	F409 I441 Y450 G456 W493	F409-P452 HydrophobicContact CB-CG 3.93Å; F409-P452 HydrophobicContact CD2-CB 4Å; F409-P452 HydrophobicContact CD2-CG 3.88Å; F409-P452 HydrophobicContact CG-CG 4.3Å; I441-P452 HydrophobicContact CG2-CB 4.43Å; Y450-P452 VanDerWaalsContact C-N 3.35Å; Y450-P452 HydrophobicContact CD2-CG 4.17Å; Y450-P452 HydrophobicContact CE1-CB 4.31Å; Y450-P452 HydrophobicContact CE2-CB 4.22Å; Y450-P452 HydrophobicContact CE2-CG 3.71Å; P452-G456 PolarHBondContact O-N 3.35Å; P452-W493 HydrophobicContact CB-CZ2 4.36Å; P452-W493 WeakPolarHBondContact O-CZ2 3.43Å; P452-W493 PolarHBondContact O-NE1 3.49Å
453	F	98.6	Very high	96.9	Very high	38 Å²	38	51.7 Å²	51.7	17%	0.167	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-50.9	176.5	-175.9	-114.3	0	0	0	111.6	I441 Y450 P451 N455 G456 V457 F462 A481	I441-F453 HydrophobicContact CG2-CB 3.78Å; I441-F453 HydrophobicContact CG2-CD2 4.1Å; I441-F453 HydrophobicContact CG2-CG 4.44Å; Y450-F453 HydrophobicContact CD1-CB 3.63Å; Y450-F453 HydrophobicContact CE1-CB 4.11Å; Y450-F453 PolarHBondContact O-N 3.27Å; P451-F453 PolarHBondContact O-N 3.21Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 3.37Å; F453-G456 PolarHBondContact O-N 2.87Å; F453-G456 VanDerWaalsContact O-N 3.13Å; F453-V457 HydrophobicContact CD1-CG2 4.35Å; F453-V457 HydrophobicContact CD2-CG2 4.31Å; F453-V457 HydrophobicContact CE1-CG2 3.98Å; F453-V457 HydrophobicContact CE2-CG2 3.92Å; F453-V457 HydrophobicContact CZ-CG2 3.74Å; F453-V457 WeakPolarHBondContact O-CG2 3.39Å; F453-V457 PolarHBondContact O-N 3.04Å; F453-F462 AromaticContact CD2-CE2 3.74Å; F453-F462 HydrophobicContact CD2-CE2 3.74Å; F453-F462 AromaticContact CD2-CZ 3.89Å; F453-F462 HydrophobicContact CD2-CZ 3.89Å; F453-F462 HydrophobicContact CE2-CD2 4.49Å; F453-F462 AromaticContact CE2-CE2 3.96Å; F453-F462 HydrophobicContact CE2-CE2 3.96Å; F453-F462 HydrophobicContact CE2-CZ 4.46Å; F453-A481 HydrophobicContact CD2-CB 4.44Å; F453-A481 HydrophobicContact CE2-CB 3.98Å
454	E	98.1	Very high	96.9	Very high	46 Å²	46	53 Å²	53	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-62.3	-38.3	-175.5	-66.6	170	-144.4	0	0	113.1	G448 T449 Y450 P451 K458	G448-E454 VanDerWaalsContact CA-OE1 3.27Å; G448-E454 WeakPolarHBondContact CA-OE1 3.47Å; G448-E454 PolarHBondContact N-OE1 3.42Å; G448-E454 PolarHBondContact N-OE2 3.14Å; T449-E454 PolarHBondContact N-OE1 2.93Å; T449-E454 VanDerWaalsContact N-OE1 3.08Å; Y450-E454 PolarHBondContact N-OE1 2.65Å; Y450-E454 PolarHBondContact O-N 3.45Å; P451-E454 PolarHBondContact O-N 3.13Å; E454-K458 WeakPolarHBondContact O-CD 3.4Å; E454-K458 WeakPolarHBondContact O-CE 3.38Å; E454-K458 WeakPolarHBondContact O-CG 3.28Å; E454-K458 PolarHBondContact O-N 2.94Å
455	N	98.1	Very high	97	Very high	60 Å²	60	50.8 Å²	50.8	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-76.9	-32.3	176.5	-65.7	-17	0	0	0	111.6	P451 F453 K458 R459	P451-N455 WeakPolarHBondContact O-CB 3.43Å; P451-N455 VanDerWaalsContact O-CG 3.27Å; P451-N455 PolarHBondContact O-N 2.68Å; P451-N455 PolarHBondContact O-ND2 3.14Å; F453-N455 VanDerWaalsContact C-N 3.33Å; F453-N455 PolarHBondContact O-N 3.37Å; N455-K458 PolarHBondContact O-N 2.82Å; N455-K458 PolarHBondContact OD1-NZ 3.37Å; N455-R459 WeakPolarHBondContact O-CB 3.44Å; N455-R459 WeakPolarHBondContact O-CG 3.29Å; N455-R459 PolarHBondContact O-N 3.31Å; N455-R459 VanDerWaalsContact O-N 3.08Å
456	G	98.4	Very high	96.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-42.6	172.2	0	0	0	0	0	112.4	P452 F453 R459 D460 V461	P452-G456 PolarHBondContact O-N 3.35Å; F453-G456 PolarHBondContact O-N 2.87Å; F453-G456 VanDerWaalsContact O-N 3.13Å; G456-R459 CarbonylContact O-C 3.55Å; G456-R459 PolarHBondContact O-N 2.59Å; G456-D460 PolarHBondContact O-N 2.87Å; G456-V461 PolarHBondContact O-N 2.94Å; G456-V461 VanDerWaalsContact O-N 3.17Å
457	V	98.4	Very high	96.9	Very high	67 Å²	67	53.9 Å²	53.9	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-45.6	173.5	175.2	0	0	0	0	111.1	F453 R459 D460 F462 I470	F453-V457 HydrophobicContact CD1-CG2 4.35Å; F453-V457 HydrophobicContact CD2-CG2 4.31Å; F453-V457 HydrophobicContact CE1-CG2 3.98Å; F453-V457 HydrophobicContact CE2-CG2 3.92Å; F453-V457 HydrophobicContact CZ-CG2 3.74Å; F453-V457 WeakPolarHBondContact O-CG2 3.39Å; F453-V457 PolarHBondContact O-N 3.04Å; V457-R459 PolarHBondContact O-N 2.91Å; V457-D460 PolarHBondContact O-N 2.73Å; V457-F462 HydrophobicContact CG2-CD2 4.33Å; V457-F462 HydrophobicContact CG2-CE2 4.01Å; V457-I470 HydrophobicContact CG2-CD1 3.85Å
458	K	98.1	Very high	97	Very high	148 Å²	148	49.8 Å²	49.8	64%	0.643	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-26.4	178.2	-70.8	165	-156.2	158.7	0	113.6	E454 N455	E454-K458 WeakPolarHBondContact O-CD 3.4Å; E454-K458 WeakPolarHBondContact O-CE 3.38Å; E454-K458 WeakPolarHBondContact O-CG 3.28Å; E454-K458 PolarHBondContact O-N 2.94Å; N455-K458 PolarHBondContact O-N 2.82Å; N455-K458 PolarHBondContact OD1-NZ 3.37Å
459	R	98.3	Very high	97.3	Very high	73 Å²	73	51.5 Å²	51.5	28%	0.275	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	3.3	-177.6	-70	-177.6	68.6	165.1	6.6	113.9	N455 G456 V457 V461 D489 D496	N455-R459 WeakPolarHBondContact O-CB 3.44Å; N455-R459 WeakPolarHBondContact O-CG 3.29Å; N455-R459 PolarHBondContact O-N 3.31Å; N455-R459 VanDerWaalsContact O-N 3.08Å; G456-R459 CarbonylContact O-C 3.55Å; G456-R459 PolarHBondContact O-N 2.59Å; V457-R459 PolarHBondContact O-N 2.91Å; R459-V461 VanDerWaalsContact C-N 3.32Å; R459-V461 HydrophobicContact CB-CG1 3.54Å; R459-V461 PolarHBondContact O-N 3.46Å; R459-D489 IonicContact CZ-OD1 2.8Å; R459-D489 IonicContact NE-OD1 3.15Å; R459-D489 PolarHBondContact NH2-O 2.91Å; R459-D489 IonicContact NH2-OD1 3.74Å; R459-D489 PolarHBondContact NH2-OD1 2.86Å; R459-D496 IonicContact CZ-OD2 3.89Å; R459-D496 IonicContact NH1-OD2 3.58Å; R459-D496 PolarHBondContact NH1-OD2 3.17Å
460	D	98.2	Very high	97.4	Very high	86 Å²	86	50.6 Å²	50.6	46%	0.46	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	40.5	177.2	-154.3	30.5	0	0	0	114.2	G456 V457 K464	G456-D460 PolarHBondContact O-N 2.87Å; V457-D460 PolarHBondContact O-N 2.73Å; D460-K464 WeakPolarHBondContact OD1-CE 3.29Å; D460-K464 IonicContact OD1-NZ 3.19Å; D460-K464 PolarHBondContact OD1-NZ 2.76Å; D460-K464 IonicContact OD2-NZ 3.98Å; D460-K464 PolarHBondContact OD2-NZ 2.85Å
461	V	98.7	Very high	97.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.28	C	S	.	.			trans	-90.2	-6.1	-169.3	-51.3	0	0	0	0	115.3	G456 R459 D484 A490 W493	G456-V461 PolarHBondContact O-N 2.94Å; G456-V461 VanDerWaalsContact O-N 3.17Å; R459-V461 VanDerWaalsContact C-N 3.32Å; R459-V461 HydrophobicContact CB-CG1 3.54Å; R459-V461 PolarHBondContact O-N 3.46Å; V461-D484 PolarHBondContact O-N 3.45Å; V461-A490 HydrophobicContact CB-CB 3.75Å; V461-A490 HydrophobicContact CG1-CB 4.29Å; V461-W493 HydrophobicContact CB-CD2 4.49Å; V461-W493 HydrophobicContact CB-CE3 4.45Å; V461-W493 HydrophobicContact CG1-CB 3.92Å; V461-W493 HydrophobicContact CG1-CD2 4.49Å; V461-W493 HydrophobicContact CG1-CG 4.1Å; V461-W493 HydrophobicContact CG2-CD2 3.8Å; V461-W493 HydrophobicContact CG2-CE3 3.9Å; V461-W493 HydrophobicContact CG2-CG 4.19Å; V461-W493 HydrophobicContact CG2-CZ3 4.38Å
462	F	98.9	Very high	97.5	Very high	6 Å²	6	49 Å²	49	3%	0.026	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-96.3	146.5	-172	-62.4	-58.1	0	0	0	112.1	I441 F453 V457 K464 I470 A481 F482 P483 W493	I441-F462 HydrophobicContact CB-CE1 3.94Å; I441-F462 HydrophobicContact CB-CZ 4.18Å; I441-F462 HydrophobicContact CG1-CE1 3.87Å; I441-F462 HydrophobicContact CG1-CZ 4.4Å; I441-F462 HydrophobicContact CG2-CE1 4.3Å; I441-F462 HydrophobicContact CG2-CZ 4.03Å; F453-F462 AromaticContact CD2-CE2 3.74Å; F453-F462 HydrophobicContact CD2-CE2 3.74Å; F453-F462 AromaticContact CD2-CZ 3.89Å; F453-F462 HydrophobicContact CD2-CZ 3.89Å; F453-F462 HydrophobicContact CE2-CD2 4.49Å; F453-F462 AromaticContact CE2-CE2 3.96Å; F453-F462 HydrophobicContact CE2-CE2 3.96Å; F453-F462 HydrophobicContact CE2-CZ 4.46Å; V457-F462 HydrophobicContact CG2-CD2 4.33Å; V457-F462 HydrophobicContact CG2-CE2 4.01Å; F462-K464 PolarHBondContact O-N 3.49Å; F462-I470 HydrophobicContact CB-CG1 4.34Å; F462-I470 HydrophobicContact CB-CG2 3.72Å; F462-I470 HydrophobicContact CD2-CD1 4.05Å; F462-I470 HydrophobicContact CD2-CG2 4.36Å; F462-I470 HydrophobicContact CG-CG2 4.27Å; F462-A481 HydrophobicContact CB-CB 4.21Å; F462-A481 HydrophobicContact CD1-CB 3.69Å; F462-A481 HydrophobicContact CD2-CB 4.04Å; F462-A481 HydrophobicContact CE1-CB 4.03Å; F462-A481 HydrophobicContact CE2-CB 4.33Å; F462-A481 HydrophobicContact CG-CB 3.72Å; F462-A481 HydrophobicContact CZ-CB 4.34Å; F462-F482 CarbonylContact C-O 3.52Å; F462-F482 WeakPolarHBondContact CA-O 3.46Å; F462-P483 HydrophobicContact CD1-CG 4.47Å; F462-P483 HydrophobicContact CE1-CG 4.31Å; F462-W493 HydrophobicContact CE1-CH2 4.29Å; F462-W493 HydrophobicContact CE1-CZ2 4.37Å; F462-W493 HydrophobicContact CZ-CZ2 4.36Å
463	I	98.9	Very high	97.5	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-54.4	134	172.1	-61.4	-171.7	0	0	0	109.6	L471 F482 D484 I552 A556 Q558 Y570	I463-L471 HydrophobicContact CG2-CB 4.44Å; I463-L471 PolarHBondContact O-N 3.26Å; I463-F482 HydrophobicContact CD1-CB 4.17Å; I463-F482 HydrophobicContact CG1-CB 4.39Å; I463-F482 WeakPolarHBondContact CG1-O 3.49Å; I463-F482 PolarHBondContact N-O 2.88Å; I463-D484 HydrophobicContact CG1-CB 4Å; I463-I552 HydrophobicContact CD1-CD1 3.65Å; I463-I552 HydrophobicContact CG2-CD1 4.09Å; I463-A556 HydrophobicContact CG2-CB 3.7Å; I463-Q558 HydrophobicContact CD1-CG 3.79Å; I463-Q558 HydrophobicContact CG1-CG 3.77Å; I463-Q558 HydrophobicContact CG2-CG 4.36Å; I463-Y570 HydrophobicContact CD1-CD2 4.49Å; I463-Y570 HydrophobicContact CD1-CE2 3.89Å
464	K	98.6	Very high	97.5	Very high	55 Å²	55	51.1 Å²	51.1	24%	0.239	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-100.6	151.2	179.7	-70	174.3	178.6	178.5	0	111.7	D460 F462 G468 D469 A556 Q557	D460-K464 WeakPolarHBondContact OD1-CE 3.29Å; D460-K464 IonicContact OD1-NZ 3.19Å; D460-K464 PolarHBondContact OD1-NZ 2.76Å; D460-K464 IonicContact OD2-NZ 3.98Å; D460-K464 PolarHBondContact OD2-NZ 2.85Å; F462-K464 PolarHBondContact O-N 3.49Å; K464-G468 WeakPolarHBondContact CD-O 3.49Å; K464-D469 CarbonylContact C-O 3.38Å; K464-D469 WeakPolarHBondContact CA-O 3.26Å; K464-A556 CarbonylContact O-C 3.6Å; K464-A556 VanDerWaalsContact O-CA 3.23Å; K464-A556 WeakPolarHBondContact O-CA 3.18Å; K464-A556 WeakPolarHBondContact O-CB 3.32Å; K464-Q557 HydrophobicContact CB-CB 4.47Å; K464-Q557 PolarHBondContact N-O 2.98Å; K464-Q557 VanDerWaalsContact N-O 3.11Å; K464-Q557 PolarHBondContact O-N 3.4Å
465	N	97.1	Very high	97.6	Very high	39 Å²	39	49.1 Å²	49.1	21%	0.209	27%	0.267	C	S	.	.			trans	-77.6	-178.6	167.3	72.9	3.2	0	0	0	110.5	T467 G468 D469 L471	N465-T467 VanDerWaalsContact CG-OG1 3.28Å; N465-T467 PolarHBondContact ND2-OG1 3.46Å; N465-T467 PolarHBondContact O-N 2.71Å; N465-T467 WeakPolarHBondContact OD1-CA 3.44Å; N465-T467 PolarHBondContact OD1-N 3.47Å; N465-T467 PolarHBondContact OD1-OG1 2.87Å; N465-G468 PolarHBondContact O-N 3.43Å; N465-G468 PolarHBondContact OD1-N 2.85Å; N465-D469 PolarHBondContact N-O 2.6Å; N465-D469 PolarHBondContact OD1-N 3.4Å; N465-D469 PolarHBondContact OD1-O 2.97Å; N465-L471 HydrophobicContact CB-CB 4.49Å
466	A	91	Very high	97.6	Very high	62 Å²	62	49.2 Å²	49.2	51%	0.512	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.2	178.4	0	0	0	0	0	115.1	P529	A466-P529 HydrophobicContact CB-CG 4.09Å
467	T	91.9	Very high	97.5	Very high	107 Å²	107	50.3 Å²	50.3	66%	0.656	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.4	173.9	54.7	0	0	0	0	113.3	N465 D469	N465-T467 VanDerWaalsContact CG-OG1 3.28Å; N465-T467 PolarHBondContact ND2-OG1 3.46Å; N465-T467 PolarHBondContact O-N 2.71Å; N465-T467 WeakPolarHBondContact OD1-CA 3.44Å; N465-T467 PolarHBondContact OD1-N 3.47Å; N465-T467 PolarHBondContact OD1-OG1 2.87Å; T467-D469 PolarHBondContact OG1-OD2 3.05Å
468	G	95.2	Very high	97.5	Very high	43 Å²	43	47.9 Å²	47.9	44%	0.443	26%	0.259	S	S	.	.	S	Bend	trans	89.4	1.6	-176.9	0	0	0	0	0	114.4	K464 N465	K464-G468 WeakPolarHBondContact CD-O 3.49Å; N465-G468 PolarHBondContact O-N 3.43Å; N465-G468 PolarHBondContact OD1-N 2.85Å
469	D	97.6	Very high	97.5	Very high	100 Å²	100	42.9 Å²	42.9	54%	0.535	24%	0.242	S	C	.	.	S	Bend	trans	-80.8	158.2	172.3	-56.2	-70.4	0	0	0	110.6	K464 N465 T467 L471	K464-D469 CarbonylContact C-O 3.38Å; K464-D469 WeakPolarHBondContact CA-O 3.26Å; N465-D469 PolarHBondContact N-O 2.6Å; N465-D469 PolarHBondContact OD1-N 3.4Å; N465-D469 PolarHBondContact OD1-O 2.97Å; T467-D469 PolarHBondContact OG1-OD2 3.05Å; D469-L471 PolarHBondContact O-N 2.9Å
470	I	98.6	Very high	97.6	Very high	48 Å²	48	39.4 Å²	39.4	25%	0.246	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-62.5	127.5	176.4	-61.9	167.2	0	0	0	109.7	V457 F462 I472 A481	V457-I470 HydrophobicContact CG2-CD1 3.85Å; F462-I470 HydrophobicContact CB-CG1 4.34Å; F462-I470 HydrophobicContact CB-CG2 3.72Å; F462-I470 HydrophobicContact CD2-CD1 4.05Å; F462-I470 HydrophobicContact CD2-CG2 4.36Å; F462-I470 HydrophobicContact CG-CG2 4.27Å; I470-I472 HydrophobicContact CG2-CD1 3.82Å; I470-I472 PolarHBondContact O-N 3.13Å; I470-A481 HydrophobicContact CG2-CB 3.61Å
471	L	98.7	Very high	97.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-70.5	123.6	173.4	-174.5	150.5	0	0	0	109.5	I463 N465 D469 F482 I552 C553 A556	I463-L471 HydrophobicContact CG2-CB 4.44Å; I463-L471 PolarHBondContact O-N 3.26Å; N465-L471 HydrophobicContact CB-CB 4.49Å; D469-L471 PolarHBondContact O-N 2.9Å; L471-F482 HydrophobicContact CD2-CD2 4.19Å; L471-I552 HydrophobicContact CD1-CB 4.19Å; L471-I552 HydrophobicContact CD2-CB 3.85Å; L471-I552 HydrophobicContact CD2-CG2 3.71Å; L471-C553 HydrophobicContact CD1-CB 4Å; L471-A556 HydrophobicContact CD1-CB 3.53Å
472	I	98.7	Very high	97.6	Very high	37 Å²	37	35.3 Å²	35.3	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.3	175.9	-54.9	-58	0	0	0	109.4	I470 P479 T480 A481 S524 V525	I470-I472 HydrophobicContact CG2-CD1 3.82Å; I470-I472 PolarHBondContact O-N 3.13Å; I472-P479 HydrophobicContact CG2-CB 3.74Å; I472-T480 CarbonylContact C-O 3.47Å; I472-T480 WeakPolarHBondContact CA-O 3.5Å; I472-A481 HydrophobicContact CD1-CB 3.96Å; I472-S524 CarbonylContact O-C 3.52Å; I472-S524 WeakPolarHBondContact O-CA 3.29Å; I472-S524 WeakPolarHBondContact O-CB 3.28Å; I472-V525 HydrophobicContact CB-CG2 3.93Å; I472-V525 HydrophobicContact CG2-CG1 4.11Å; I472-V525 HydrophobicContact CG2-CG2 3.88Å; I472-V525 WeakPolarHBondContact O-CG2 3.15Å; I472-V525 PolarHBondContact O-N 2.97Å
473	G	98.5	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-150.8	165.6	0	0	0	0	0	110.5	P479 T480 V525	G473-P479 WeakPolarHBondContact O-CA 3.44Å; G473-T480 PolarHBondContact N-O 3.03Å; G473-T480 PolarHBondContact O-N 2.9Å; G473-V525 WeakPolarHBondContact O-CG1 3.39Å
474	K	98.6	Very high	97.6	Very high	93 Å²	93	35.4 Å²	35.4	40%	0.404	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.9	178.8	-170.4	-178.1	-179.3	-176.1	0	111.2	G478 S519 F520 V521	K474-G478 WeakPolarHBondContact CA-O 3.24Å; K474-G478 WeakPolarHBondContact CG-O 3.37Å; K474-S519 PolarHBondContact N-OG 3.24Å; K474-S519 PolarHBondContact O-OG 2.81Å; K474-S519 VanDerWaalsContact O-OG 3.05Å; K474-F520 HydrophobicContact CB-CB 4.48Å; K474-F520 PolarHBondContact O-N 2.88Å; K474-V521 HydrophobicContact CB-CG1 3.98Å; K474-V521 HydrophobicContact CB-CG2 3.91Å; K474-V521 HydrophobicContact CD-CG1 4Å
475	V	98.4	Very high	97.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	-152.9	170.7	-151.4	0	0	0	0	109	G478 T480 F482 M514 F520	V475-G478 PolarHBondContact N-O 3.3Å; V475-G478 PolarHBondContact O-N 2.82Å; V475-T480 HydrophobicContact CB-CG2 4.5Å; V475-T480 HydrophobicContact CG2-CG2 4.43Å; V475-F482 HydrophobicContact CG2-CE1 4.1Å; V475-F482 HydrophobicContact CG2-CZ 3.82Å; V475-M514 HydrophobicContact CG1-CB 4.41Å; V475-M514 HydrophobicContact CG1-CE 4.01Å; V475-M514 HydrophobicContact CG1-CG 4.36Å; V475-F520 HydrophobicContact CG1-CE1 4.1Å; V475-F520 HydrophobicContact CG1-CE2 4.12Å; V475-F520 HydrophobicContact CG1-CZ 3.78Å
476	W	98.1	Very high	97.6	Very high	61 Å²	61	31.3 Å²	31.3	23%	0.231	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-41.8	-171.6	-67.2	121.2	0	0	0	117	W371 L400 R406 G478 F520	W371-W476 HydrophobicContact CH2-CE3 4.46Å; W371-W476 AromaticContact CH2-CH2 3.37Å; W371-W476 HydrophobicContact CH2-CH2 3.37Å; W371-W476 HydrophobicContact CH2-CZ2 4.07Å; W371-W476 AromaticContact CH2-CZ3 3.6Å; W371-W476 HydrophobicContact CH2-CZ3 3.6Å; W371-W476 HydrophobicContact CZ2-CH2 4.18Å; W371-W476 HydrophobicContact CZ2-CZ3 4.1Å; W371-W476 AromaticContact CZ3-CH2 3.95Å; W371-W476 HydrophobicContact CZ3-CH2 3.95Å; W371-W476 HydrophobicContact CZ3-CZ2 4.44Å; L400-W476 HydrophobicContact CD1-CB 3.89Å; L400-W476 HydrophobicContact CD1-CD2 3.98Å; L400-W476 HydrophobicContact CD1-CG 3.44Å; L400-W476 VanDerWaalsContact CD1-CG 3.44Å; R406-W476 HydrophobicContact CB-CB 4.16Å; R406-W476 WeakPolarHBondContact CD-O 3.19Å; R406-W476 PolarHBondContact NH1-O 2.79Å; R406-W476 VanDerWaalsContact NH1-O 3.16Å; W476-G478 VanDerWaalsContact C-N 3.28Å; W476-G478 PolarHBondContact O-N 3.18Å; W476-F520 AromaticContact CD2-CE2 3.96Å; W476-F520 HydrophobicContact CD2-CE2 3.96Å; W476-F520 AromaticContact CD2-CZ 3.73Å; W476-F520 HydrophobicContact CD2-CZ 3.73Å; W476-F520 AromaticContact CE2-CZ 3.71Å; W476-F520 AromaticContact CE3-CE2 3.87Å; W476-F520 HydrophobicContact CE3-CE2 3.87Å; W476-F520 AromaticContact CE3-CZ 3.94Å; W476-F520 HydrophobicContact CE3-CZ 3.94Å; W476-F520 HydrophobicContact CG-CE2 4.4Å; W476-F520 HydrophobicContact CG-CZ 4.26Å; W476-F520 HydrophobicContact CH2-CZ 4.09Å; W476-F520 AromaticContact CZ2-CZ 3.92Å; W476-F520 HydrophobicContact CZ2-CZ 3.92Å; W476-F520 HydrophobicContact CZ3-CE2 4.21Å; W476-F520 HydrophobicContact CZ3-CZ 4.1Å
477	P	97.6	Very high	98	Very high	23 Å²	23	29.2 Å²	29.2	15%	0.149	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	8.9	176.4	33.8	-35.8	0	0	0	114.1	R407 T480	R407-P477 HydrophobicContact CG-CB 4Å; P477-T480 HydrophobicContact CG-CG2 3.73Å
478	G	98.2	Very high	98.3	Very high	17 Å²	17	27.9 Å²	27.9	18%	0.175	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100	-143.3	-175.6	0	0	0	0	0	112	K474 V475 W476	K474-G478 WeakPolarHBondContact CA-O 3.24Å; K474-G478 WeakPolarHBondContact CG-O 3.37Å; V475-G478 PolarHBondContact N-O 3.3Å; V475-G478 PolarHBondContact O-N 2.82Å; W476-G478 VanDerWaalsContact C-N 3.28Å; W476-G478 PolarHBondContact O-N 3.18Å
479	P	98.6	Very high	98.4	Very high	43 Å²	43	29.9 Å²	29.9	28%	0.279	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	134.9	178.4	-21.2	33.8	0	0	0	112.1	S443 T444 I472 G473	S443-P479 PolarHBondContact N-O 2.92Å; S443-P479 PolarHBondContact OG-O 2.99Å; S443-P479 VanDerWaalsContact OG-O 3.13Å; T444-P479 HydrophobicContact CG2-CB 3.93Å; T444-P479 HydrophobicContact CG2-CG 3.85Å; I472-P479 HydrophobicContact CG2-CB 3.74Å; G473-P479 WeakPolarHBondContact O-CA 3.44Å
480	T	98.7	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.4	-168.5	45.8	0	0	0	0	112.3	G440 I441 I472 G473 V475 P477	G440-T480 WeakPolarHBondContact O-CG2 3.49Å; I441-T480 CarbonylContact O-C 3.6Å; I441-T480 WeakPolarHBondContact O-CA 3.46Å; I472-T480 CarbonylContact C-O 3.47Å; I472-T480 WeakPolarHBondContact CA-O 3.5Å; G473-T480 PolarHBondContact N-O 3.03Å; G473-T480 PolarHBondContact O-N 2.9Å; V475-T480 HydrophobicContact CB-CG2 4.5Å; V475-T480 HydrophobicContact CG2-CG2 4.43Å; P477-T480 HydrophobicContact CG-CG2 3.73Å
481	A	98.8	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	150.5	161.3	0	0	0	0	0	109.9	I441 F453 F462 I470 I472	I441-A481 PolarHBondContact N-O 3.03Å; I441-A481 PolarHBondContact O-N 2.82Å; F453-A481 HydrophobicContact CD2-CB 4.44Å; F453-A481 HydrophobicContact CE2-CB 3.98Å; F462-A481 HydrophobicContact CB-CB 4.21Å; F462-A481 HydrophobicContact CD1-CB 3.69Å; F462-A481 HydrophobicContact CD2-CB 4.04Å; F462-A481 HydrophobicContact CE1-CB 4.03Å; F462-A481 HydrophobicContact CE2-CB 4.33Å; F462-A481 HydrophobicContact CG-CB 3.72Å; F462-A481 HydrophobicContact CZ-CB 4.34Å; I470-A481 HydrophobicContact CG2-CB 3.61Å; I472-A481 HydrophobicContact CD1-CB 3.96Å
482	F	98.9	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.			trans	-109.6	127.1	179.2	-67	-93.8	0	0	0	109.6	F462 I463 L471 V475 P517 I552	F462-F482 CarbonylContact C-O 3.52Å; F462-F482 WeakPolarHBondContact CA-O 3.46Å; I463-F482 HydrophobicContact CD1-CB 4.17Å; I463-F482 HydrophobicContact CG1-CB 4.39Å; I463-F482 WeakPolarHBondContact CG1-O 3.49Å; I463-F482 PolarHBondContact N-O 2.88Å; L471-F482 HydrophobicContact CD2-CD2 4.19Å; V475-F482 HydrophobicContact CG2-CE1 4.1Å; V475-F482 HydrophobicContact CG2-CZ 3.82Å; F482-P517 HydrophobicContact CD1-CB 3.91Å; F482-P517 HydrophobicContact CE1-CB 3.98Å; F482-I552 HydrophobicContact CD2-CG2 3.83Å; F482-I552 HydrophobicContact CE2-CG2 3.63Å; F482-I552 HydrophobicContact CG-CG2 4.36Å; F482-I552 HydrophobicContact CZ-CG2 4Å
483	P	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-62.2	143.9	172.7	-23.4	33.7	0	0	0	111.6	P439 I441 F462 F485 W493 Y570	P439-P483 WeakPolarHBondContact O-CD 3.33Å; I441-P483 HydrophobicContact CG1-CG 4.08Å; F462-P483 HydrophobicContact CD1-CG 4.47Å; F462-P483 HydrophobicContact CE1-CG 4.31Å; P483-F485 HydrophobicContact CB-CD1 4.41Å; P483-F485 HydrophobicContact CB-CD2 4.5Å; P483-F485 HydrophobicContact CB-CE1 3.95Å; P483-F485 HydrophobicContact CB-CE2 4.05Å; P483-F485 HydrophobicContact CB-CZ 3.76Å; P483-F485 HydrophobicContact CG-CE1 4.49Å; P483-F485 HydrophobicContact CG-CE2 4.47Å; P483-F485 HydrophobicContact CG-CZ 4.01Å; P483-W493 HydrophobicContact CB-CH2 4.38Å; P483-W493 HydrophobicContact CB-CZ3 3.73Å; P483-W493 HydrophobicContact CG-CH2 3.69Å; P483-W493 HydrophobicContact CG-CZ3 3.51Å; P483-Y570 VanDerWaalsContact O-CE2 3.24Å; P483-Y570 WeakPolarHBondContact O-CE2 2.98Å; P483-Y570 PolarHBondContact O-OH 2.69Å
484	D	98.8	Very high	98.5	Very high	8 Å²	8	28 Å²	28	4%	0.043	15%	0.146	C	C	.	.			trans	-93.9	89.8	169	170.8	12.7	0	0	0	109.6	V461 I463 T486 N487 A490 Q558 Q559	V461-D484 PolarHBondContact O-N 3.45Å; I463-D484 HydrophobicContact CG1-CB 4Å; D484-T486 PolarHBondContact O-N 3.3Å; D484-T486 WeakPolarHBondContact OD1-CA 3.49Å; D484-T486 VanDerWaalsContact OD1-CB 3.27Å; D484-T486 WeakPolarHBondContact OD1-CB 3.36Å; D484-T486 PolarHBondContact OD1-N 3.08Å; D484-T486 PolarHBondContact OD1-OG1 3.07Å; D484-N487 HydrophobicContact CB-CB 4.33Å; D484-N487 VanDerWaalsContact O-CB 3.3Å; D484-N487 WeakPolarHBondContact O-CB 3.47Å; D484-N487 PolarHBondContact O-N 3.03Å; D484-N487 PolarHBondContact OD1-N 2.88Å; D484-A490 WeakPolarHBondContact O-CB 3.44Å; D484-Q558 HydrophobicContact CB-CG 4.23Å; D484-Q558 WeakPolarHBondContact OD1-CB 3.29Å; D484-Q558 WeakPolarHBondContact OD2-CA 3.06Å; D484-Q559 WeakPolarHBondContact OD2-CB 3.29Å; D484-Q559 PolarHBondContact OD2-N 2.83Å
485	F	98.7	Very high	98.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.9	-179.6	-60.7	-70.4	0	0	0	114.1	P439 P483 R491 W494 Y570 E574 A577	P439-F485 HydrophobicContact CB-CE2 4.19Å; P439-F485 HydrophobicContact CB-CZ 4.46Å; P483-F485 HydrophobicContact CB-CD1 4.41Å; P483-F485 HydrophobicContact CB-CD2 4.5Å; P483-F485 HydrophobicContact CB-CE1 3.95Å; P483-F485 HydrophobicContact CB-CE2 4.05Å; P483-F485 HydrophobicContact CB-CZ 3.76Å; P483-F485 HydrophobicContact CG-CE1 4.49Å; P483-F485 HydrophobicContact CG-CE2 4.47Å; P483-F485 HydrophobicContact CG-CZ 4.01Å; F485-R491 WeakPolarHBondContact O-CD 3.3Å; F485-R491 WeakPolarHBondContact O-CG 3.45Å; F485-R491 PolarHBondContact O-NH1 2.89Å; F485-W494 HydrophobicContact CE1-CB 4.32Å; F485-W494 AromaticContact CE1-CD2 3.74Å; F485-W494 HydrophobicContact CE1-CD2 3.74Å; F485-W494 AromaticContact CE1-CE2 3.9Å; F485-W494 HydrophobicContact CE1-CE3 4.15Å; F485-W494 AromaticContact CE1-CG 3.85Å; F485-W494 HydrophobicContact CE1-CG 3.85Å; F485-W494 HydrophobicContact CE1-CZ2 4.41Å; F485-W494 HydrophobicContact CZ-CD2 4.24Å; F485-W494 HydrophobicContact CZ-CE3 4.4Å; F485-W494 HydrophobicContact CZ-CH2 4.3Å; F485-W494 HydrophobicContact CZ-CZ2 4.17Å; F485-W494 HydrophobicContact CZ-CZ3 4.41Å; F485-Y570 HydrophobicContact CD2-CE1 4.12Å; F485-Y570 HydrophobicContact CD2-CE2 4.1Å; F485-Y570 AromaticContact CD2-CZ 3.78Å; F485-Y570 AromaticContact CE2-CE1 3.84Å; F485-Y570 HydrophobicContact CE2-CE1 3.84Å; F485-Y570 HydrophobicContact CE2-CE2 4.41Å; F485-Y570 AromaticContact CE2-CZ 3.65Å; F485-Y570 WeakPolarHBondContact CE2-OH 3.43Å; F485-E574 HydrophobicContact CD2-CB 3.63Å; F485-E574 HydrophobicContact CD2-CG 4.16Å; F485-E574 HydrophobicContact CE1-CG 4.15Å; F485-E574 HydrophobicContact CE2-CB 3.57Å; F485-E574 HydrophobicContact CE2-CG 3.61Å; F485-E574 HydrophobicContact CG-CB 4.14Å; F485-E574 HydrophobicContact CZ-CB 4.04Å; F485-E574 HydrophobicContact CZ-CG 3.6Å; F485-A577 HydrophobicContact CD1-CB 3.89Å; F485-A577 HydrophobicContact CE1-CB 4.5Å
486	T	98.1	Very high	98.5	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.055	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-27.5	170.3	82.9	0	0	0	0	111.8	D484 R491 Q559 L560 L566 T573	D484-T486 PolarHBondContact O-N 3.3Å; D484-T486 WeakPolarHBondContact OD1-CA 3.49Å; D484-T486 VanDerWaalsContact OD1-CB 3.27Å; D484-T486 WeakPolarHBondContact OD1-CB 3.36Å; D484-T486 PolarHBondContact OD1-N 3.08Å; D484-T486 PolarHBondContact OD1-OG1 3.07Å; T486-R491 VanDerWaalsContact C-NH1 3.27Å; T486-R491 PolarHBondContact O-NH1 2.96Å; T486-Q559 PolarHBondContact OG1-N 3.06Å; T486-L560 HydrophobicContact CG2-CD1 4.23Å; T486-L560 PolarHBondContact OG1-N 3.09Å; T486-L566 HydrophobicContact CG2-CD1 4.2Å; T486-T573 HydrophobicContact CG2-CG2 4.3Å
487	N	98.4	Very high	98.6	Very high	18 Å²	18	24.4 Å²	24.4	10%	0.096	14%	0.135	C	C	.	.	S	Bend	trans	-70.6	123.7	172.8	-175.9	-8.6	0	0	0	111.8	D484 D489 A490 R491 Q559	D484-N487 HydrophobicContact CB-CB 4.33Å; D484-N487 VanDerWaalsContact O-CB 3.3Å; D484-N487 WeakPolarHBondContact O-CB 3.47Å; D484-N487 PolarHBondContact O-N 3.03Å; D484-N487 PolarHBondContact OD1-N 2.88Å; N487-D489 VanDerWaalsContact C-N 3.27Å; N487-D489 PolarHBondContact O-N 2.94Å; N487-D489 PolarHBondContact OD1-N 3.48Å; N487-A490 HydrophobicContact CB-CB 3.95Å; N487-A490 WeakPolarHBondContact O-CB 3.24Å; N487-A490 PolarHBondContact O-N 3.16Å; N487-R491 PolarHBondContact O-N 2.86Å; N487-Q559 HydrophobicContact CB-CB 3.93Å; N487-Q559 HydrophobicContact CB-CG 4.35Å
488	P	97.8	Very high	98.6	Very high	78 Å²	78	23.6 Å²	23.6	51%	0.506	13%	0.129	S	C	.	.	H	α-helix	trans	-55.7	-36.8	173.4	-23.4	32.9	0	0	0	114.4	A490 R491 Q492	P488-A490 VanDerWaalsContact C-N 3.35Å; P488-R491 PolarHBondContact O-N 3.01Å; P488-Q492 PolarHBondContact O-N 2.85Å; P488-Q492 VanDerWaalsContact O-N 3.07Å
489	D	98.4	Very high	98.6	Very high	85 Å²	85	27.6 Å²	27.6	46%	0.455	14%	0.139	S	C	.	.	H	α-helix	trans	-70.5	-31.8	179.3	-93.9	-54.1	0	0	0	112.6	R459 N487 W493	R459-D489 IonicContact CZ-OD1 2.8Å; R459-D489 IonicContact NE-OD1 3.15Å; R459-D489 PolarHBondContact NH2-O 2.91Å; R459-D489 IonicContact NH2-OD1 3.74Å; R459-D489 PolarHBondContact NH2-OD1 2.86Å; N487-D489 VanDerWaalsContact C-N 3.27Å; N487-D489 PolarHBondContact O-N 2.94Å; N487-D489 PolarHBondContact OD1-N 3.48Å; D489-W493 VanDerWaalsContact O-CB 3.3Å; D489-W493 WeakPolarHBondContact O-CB 3.17Å; D489-W493 PolarHBondContact O-N 3.15Å
490	A	98.8	Very high	98.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.5	-41.5	170.9	0	0	0	0	0	111.3	V461 D484 N487 P488 Q492 W493 W494	V461-A490 HydrophobicContact CB-CB 3.75Å; V461-A490 HydrophobicContact CG1-CB 4.29Å; D484-A490 WeakPolarHBondContact O-CB 3.44Å; N487-A490 HydrophobicContact CB-CB 3.95Å; N487-A490 WeakPolarHBondContact O-CB 3.24Å; N487-A490 PolarHBondContact O-N 3.16Å; P488-A490 VanDerWaalsContact C-N 3.35Å; A490-Q492 PolarHBondContact O-N 2.9Å; A490-W493 PolarHBondContact O-N 3.01Å; A490-W494 WeakPolarHBondContact O-CB 3.36Å; A490-W494 PolarHBondContact O-N 3.18Å
491	R	98.6	Very high	98.6	Very high	66 Å²	66	30.3 Å²	30.3	25%	0.249	15%	0.151	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176.1	-64.2	-166.6	-68.2	-87.2	2.2	112.2	F485 T486 N487 P488 W494 E495 A577	F485-R491 WeakPolarHBondContact O-CD 3.3Å; F485-R491 WeakPolarHBondContact O-CG 3.45Å; F485-R491 PolarHBondContact O-NH1 2.89Å; T486-R491 VanDerWaalsContact C-NH1 3.27Å; T486-R491 PolarHBondContact O-NH1 2.96Å; N487-R491 PolarHBondContact O-N 2.86Å; P488-R491 PolarHBondContact O-N 3.01Å; R491-W494 PolarHBondContact O-N 2.87Å; R491-E495 PolarHBondContact O-N 3.16Å; R491-A577 HydrophobicContact CB-CB 4.33Å; R491-A577 HydrophobicContact CG-CB 3.85Å
492	Q	98.7	Very high	98.5	Very high	80 Å²	80	32.8 Å²	32.8	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-68.4	-41.2	174.3	-176.5	65.8	61.1	0	0	111.9	P488 A490 W494 E495 D496	P488-Q492 PolarHBondContact O-N 2.85Å; P488-Q492 VanDerWaalsContact O-N 3.07Å; A490-Q492 PolarHBondContact O-N 2.9Å; Q492-W494 VanDerWaalsContact C-N 3.28Å; Q492-W494 PolarHBondContact O-N 3.08Å; Q492-E495 PolarHBondContact O-N 3.23Å; Q492-D496 PolarHBondContact NE2-OD1 2.89Å; Q492-D496 PolarHBondContact O-N 3.19Å; Q492-D496 VanDerWaalsContact O-OD2 3.11Å
493	W	98.8	Very high	98.4	Very high	3 Å²	3	37 Å²	37	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-36.9	173.9	161	87.1	0	0	0	112.5	I441 P452 V461 F462 P483 D489 A490 D496 C497	I441-W493 HydrophobicContact CD1-CH2 3.91Å; I441-W493 HydrophobicContact CD1-CZ2 4.35Å; I441-W493 HydrophobicContact CG1-CH2 3.74Å; I441-W493 HydrophobicContact CG1-CZ2 4.17Å; P452-W493 HydrophobicContact CB-CZ2 4.36Å; P452-W493 WeakPolarHBondContact O-CZ2 3.43Å; P452-W493 PolarHBondContact O-NE1 3.49Å; V461-W493 HydrophobicContact CB-CD2 4.49Å; V461-W493 HydrophobicContact CB-CE3 4.45Å; V461-W493 HydrophobicContact CG1-CB 3.92Å; V461-W493 HydrophobicContact CG1-CD2 4.49Å; V461-W493 HydrophobicContact CG1-CG 4.1Å; V461-W493 HydrophobicContact CG2-CD2 3.8Å; V461-W493 HydrophobicContact CG2-CE3 3.9Å; V461-W493 HydrophobicContact CG2-CG 4.19Å; V461-W493 HydrophobicContact CG2-CZ3 4.38Å; F462-W493 HydrophobicContact CE1-CH2 4.29Å; F462-W493 HydrophobicContact CE1-CZ2 4.37Å; F462-W493 HydrophobicContact CZ-CZ2 4.36Å; P483-W493 HydrophobicContact CB-CH2 4.38Å; P483-W493 HydrophobicContact CB-CZ3 3.73Å; P483-W493 HydrophobicContact CG-CH2 3.69Å; P483-W493 HydrophobicContact CG-CZ3 3.51Å; D489-W493 VanDerWaalsContact O-CB 3.3Å; D489-W493 WeakPolarHBondContact O-CB 3.17Å; D489-W493 PolarHBondContact O-N 3.15Å; A490-W493 PolarHBondContact O-N 3.01Å; W493-D496 PolarHBondContact O-N 2.93Å; W493-C497 PolarHBondContact O-N 3.33Å; W493-C497 PolarHBondContact O-SG 2.91Å
494	W	98.8	Very high	98.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66	-46.2	175.1	-167.9	-119.8	0	0	0	111.3	F409 L437 I441 F485 A490 R491 Q492 D496 C497 I498 E574 T578	F409-W494 AromaticContact CE2-CE3 3.92Å; F409-W494 HydrophobicContact CE2-CE3 3.92Å; F409-W494 HydrophobicContact CE2-CH2 4.15Å; F409-W494 AromaticContact CE2-CZ3 3.51Å; F409-W494 HydrophobicContact CE2-CZ3 3.51Å; F409-W494 HydrophobicContact CZ-CD2 4.17Å; F409-W494 AromaticContact CZ-CE3 3.61Å; F409-W494 HydrophobicContact CZ-CE3 3.61Å; F409-W494 AromaticContact CZ-CH2 3.82Å; F409-W494 HydrophobicContact CZ-CH2 3.82Å; F409-W494 HydrophobicContact CZ-CZ2 4.32Å; F409-W494 AromaticContact CZ-CZ3 3.43Å; F409-W494 HydrophobicContact CZ-CZ3 3.43Å; F409-W494 VanDerWaalsContact CZ-CZ3 3.43Å; L437-W494 HydrophobicContact CD1-CH2 4.46Å; L437-W494 HydrophobicContact CD2-CH2 3.93Å; L437-W494 HydrophobicContact CD2-CZ2 3.42Å; L437-W494 VanDerWaalsContact CD2-CZ2 3.42Å; L437-W494 HydrophobicContact CG-CH2 3.96Å; L437-W494 HydrophobicContact CG-CZ2 3.89Å; I441-W494 HydrophobicContact CD1-CZ3 4.27Å; F485-W494 HydrophobicContact CE1-CB 4.32Å; F485-W494 AromaticContact CE1-CD2 3.74Å; F485-W494 HydrophobicContact CE1-CD2 3.74Å; F485-W494 AromaticContact CE1-CE2 3.9Å; F485-W494 HydrophobicContact CE1-CE3 4.15Å; F485-W494 AromaticContact CE1-CG 3.85Å; F485-W494 HydrophobicContact CE1-CG 3.85Å; F485-W494 HydrophobicContact CE1-CZ2 4.41Å; F485-W494 HydrophobicContact CZ-CD2 4.24Å; F485-W494 HydrophobicContact CZ-CE3 4.4Å; F485-W494 HydrophobicContact CZ-CH2 4.3Å; F485-W494 HydrophobicContact CZ-CZ2 4.17Å; F485-W494 HydrophobicContact CZ-CZ3 4.41Å; A490-W494 WeakPolarHBondContact O-CB 3.36Å; A490-W494 PolarHBondContact O-N 3.18Å; R491-W494 PolarHBondContact O-N 2.87Å; Q492-W494 VanDerWaalsContact C-N 3.28Å; Q492-W494 PolarHBondContact O-N 3.08Å; W494-D496 VanDerWaalsContact C-N 3.33Å; W494-D496 PolarHBondContact O-N 2.72Å; W494-C497 PolarHBondContact O-N 3.02Å; W494-I498 HydrophobicContact CD2-CD1 4.49Å; W494-I498 HydrophobicContact CG-CD1 4.17Å; W494-I498 WeakPolarHBondContact O-CG1 3.34Å; W494-I498 PolarHBondContact O-N 3.35Å; W494-E574 HydrophobicContact CZ2-CG 4.48Å; W494-T578 PolarHBondContact NE1-OG1 2.85Å
495	E	98.8	Very high	98.3	Very high	19 Å²	19	42 Å²	42	9%	0.089	21%	0.213	C	C	.	.	H	α-helix	trans	-57.7	-45	172.4	-175.8	-176.7	119.3	0	0	111.7	R491 Q492 C497 I498 R499 A581 N584 I585	R491-E495 PolarHBondContact O-N 3.16Å; Q492-E495 PolarHBondContact O-N 3.23Å; E495-C497 VanDerWaalsContact C-N 3.34Å; E495-C497 PolarHBondContact O-N 3.03Å; E495-I498 PolarHBondContact O-N 3.14Å; E495-R499 WeakPolarHBondContact O-CB 3.43Å; E495-R499 PolarHBondContact O-N 2.87Å; E495-R499 IonicContact OE1-CZ 3.19Å; E495-R499 IonicContact OE1-NE 3.99Å; E495-R499 IonicContact OE1-NH2 3.9Å; E495-R499 PolarHBondContact OE1-NH2 3.28Å; E495-A581 HydrophobicContact CB-CB 3.79Å; E495-A581 HydrophobicContact CG-CB 3.85Å; E495-N584 PolarHBondContact OE2-ND2 3.5Å; E495-I585 HydrophobicContact CG-CD1 4.11Å; E495-I585 HydrophobicContact CG-CG1 4.35Å
496	D	98.8	Very high	98.1	Very high	52 Å²	52	43.7 Å²	43.7	28%	0.278	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-41.3	178.8	-59.9	-27.4	0	0	0	111.1	R459 Q492 W493 W494 R499 D500	R459-D496 IonicContact CZ-OD2 3.89Å; R459-D496 IonicContact NH1-OD2 3.58Å; R459-D496 PolarHBondContact NH1-OD2 3.17Å; Q492-D496 PolarHBondContact NE2-OD1 2.89Å; Q492-D496 PolarHBondContact O-N 3.19Å; Q492-D496 VanDerWaalsContact O-OD2 3.11Å; W493-D496 PolarHBondContact O-N 2.93Å; W494-D496 VanDerWaalsContact C-N 3.33Å; W494-D496 PolarHBondContact O-N 2.72Å; D496-R499 PolarHBondContact O-N 2.87Å; D496-D500 WeakPolarHBondContact O-CB 3.41Å; D496-D500 PolarHBondContact O-N 2.93Å
497	C	98.7	Very high	98.1	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-42.9	175.6	-67.8	0	0	0	0	112.8	F409 W493 W494 E495 D500 F501	F409-C497 HydrophobicContact CD1-CB 3.99Å; F409-C497 WeakPolarHBondContact CD1-O 2.96Å; F409-C497 HydrophobicContact CD2-CB 3.92Å; F409-C497 HydrophobicContact CE1-CB 3.79Å; F409-C497 HydrophobicContact CE2-CB 3.71Å; F409-C497 HydrophobicContact CG-CB 4.05Å; F409-C497 HydrophobicContact CZ-CB 3.64Å; W493-C497 PolarHBondContact O-N 3.33Å; W493-C497 PolarHBondContact O-SG 2.91Å; W494-C497 PolarHBondContact O-N 3.02Å; E495-C497 VanDerWaalsContact C-N 3.34Å; E495-C497 PolarHBondContact O-N 3.03Å; C497-D500 PolarHBondContact O-N 3.06Å; C497-F501 PolarHBondContact O-N 3.19Å
498	I	98.8	Very high	98.1	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-43.8	174.9	-66.3	166.3	0	0	0	109.8	F409 L437 W494 E495 F501 F502 L510 T578 A581 L582 I585	F409-I498 HydrophobicContact CE1-CG1 3.79Å; F409-I498 HydrophobicContact CZ-CG1 4.33Å; L437-I498 HydrophobicContact CD2-CG1 4.5Å; W494-I498 HydrophobicContact CD2-CD1 4.49Å; W494-I498 HydrophobicContact CG-CD1 4.17Å; W494-I498 WeakPolarHBondContact O-CG1 3.34Å; W494-I498 PolarHBondContact O-N 3.35Å; E495-I498 PolarHBondContact O-N 3.14Å; I498-F501 PolarHBondContact O-N 3.49Å; I498-F502 WeakPolarHBondContact O-CB 3.27Å; I498-F502 PolarHBondContact O-N 2.78Å; I498-L510 HydrophobicContact CD1-CD1 3.88Å; I498-L510 HydrophobicContact CG1-CD1 4.1Å; I498-L510 HydrophobicContact CG2-CD1 4.05Å; I498-T578 HydrophobicContact CD1-CG2 4.3Å; I498-A581 HydrophobicContact CD1-CB 3.69Å; I498-L582 HydrophobicContact CG2-CD2 4.28Å; I498-I585 HydrophobicContact CB-CD1 3.96Å; I498-I585 HydrophobicContact CG2-CD1 3.61Å
499	R	98.6	Very high	98.2	Very high	102 Å²	102	40.1 Å²	40.1	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-61.3	-45.8	178.4	-173.4	-174.5	-65.8	-88.7	2.9	111.6	E495 D496 F501 F502 S503 I585	E495-R499 WeakPolarHBondContact O-CB 3.43Å; E495-R499 PolarHBondContact O-N 2.87Å; E495-R499 IonicContact OE1-CZ 3.19Å; E495-R499 IonicContact OE1-NE 3.99Å; E495-R499 IonicContact OE1-NH2 3.9Å; E495-R499 PolarHBondContact OE1-NH2 3.28Å; D496-R499 PolarHBondContact O-N 2.87Å; R499-F501 VanDerWaalsContact C-N 3.33Å; R499-F501 PolarHBondContact O-N 2.95Å; R499-F502 PolarHBondContact O-N 3.18Å; R499-S503 WeakPolarHBondContact O-CB 3.33Å; R499-S503 PolarHBondContact O-N 2.87Å; R499-I585 HydrophobicContact CB-CD1 3.77Å; R499-I585 HydrophobicContact CB-CG1 4.07Å; R499-I585 HydrophobicContact CG-CG1 4.34Å
500	D	98.2	Very high	98.2	Very high	90 Å²	90	36.3 Å²	36.3	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-65	-32.9	177.2	-88.3	0.3	0	0	0	113.1	D496 C497 S503 K504	D496-D500 WeakPolarHBondContact O-CB 3.41Å; D496-D500 PolarHBondContact O-N 2.93Å; C497-D500 PolarHBondContact O-N 3.06Å; D500-S503 PolarHBondContact O-OG 3.38Å; D500-K504 VanDerWaalsContact O-CE 3.29Å; D500-K504 WeakPolarHBondContact O-CE 3.37Å; D500-K504 PolarHBondContact O-NZ 3.25Å
501	F	98.3	Very high	98.2	Very high	9 Å²	9	36.4 Å²	36.4	4%	0.039	18%	0.18	C	C	.	.	H	α-helix	trans	-77.6	-46.9	174	-173.8	-92.3	0	0	0	111.8	Y402 F409 F411 I435 C497 I498 R499 S503 K504 V505 V507	Y402-F501 HydrophobicContact CE2-CE2 4.49Å; Y402-F501 HydrophobicContact CE2-CZ 4.16Å; F409-F501 VanDerWaalsContact C-CD2 3.48Å; F409-F501 HydrophobicContact CB-CD2 4.44Å; F409-F501 HydrophobicContact CD1-CB 4.08Å; F411-F501 HydrophobicContact CD1-CE2 4.11Å; F411-F501 HydrophobicContact CD1-CZ 4.5Å; I435-F501 HydrophobicContact CD1-CD1 4.13Å; I435-F501 HydrophobicContact CD1-CE1 3.32Å; I435-F501 HydrophobicContact CD1-CZ 3.74Å; C497-F501 PolarHBondContact O-N 3.19Å; I498-F501 PolarHBondContact O-N 3.49Å; R499-F501 VanDerWaalsContact C-N 3.33Å; R499-F501 PolarHBondContact O-N 2.95Å; F501-S503 PolarHBondContact O-N 3.35Å; F501-K504 WeakPolarHBondContact O-CB 3.48Å; F501-K504 PolarHBondContact O-N 3.12Å; F501-V505 HydrophobicContact CD1-CB 4.43Å; F501-V505 HydrophobicContact CE1-CB 3.79Å; F501-V505 HydrophobicContact CE1-CG1 4.26Å; F501-V505 HydrophobicContact CE1-CG2 4.31Å; F501-V505 HydrophobicContact CZ-CB 4.09Å; F501-V505 HydrophobicContact CZ-CG2 4.1Å; F501-V505 PolarHBondContact O-N 2.94Å; F501-V507 HydrophobicContact CE1-CG1 4.18Å
502	F	97.2	Very high	98.2	Very high	52 Å²	52	33.3 Å²	33.3	23%	0.228	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-35.1	178.7	-178.2	-90.3	0	0	0	112.3	I498 R499 K504 V505 P506 V507 I585 Q586	I498-F502 WeakPolarHBondContact O-CB 3.27Å; I498-F502 PolarHBondContact O-N 2.78Å; R499-F502 PolarHBondContact O-N 3.18Å; F502-K504 PolarHBondContact O-N 3.23Å; F502-K504 VanDerWaalsContact O-N 3.1Å; F502-V505 WeakPolarHBondContact CA-O 3.24Å; F502-V505 CarbonylContact O-C 3.54Å; F502-V505 PolarHBondContact O-N 3.18Å; F502-P506 HydrophobicContact CE2-CB 4.11Å; F502-P506 HydrophobicContact CZ-CB 4.11Å; F502-V507 HydrophobicContact CD2-CG2 4.49Å; F502-V507 VanDerWaalsContact CE2-O 3.27Å; F502-V507 WeakPolarHBondContact CE2-O 3.45Å; F502-I585 HydrophobicContact CB-CG2 4.27Å; F502-I585 HydrophobicContact CD1-CG2 3.55Å; F502-I585 HydrophobicContact CD2-CG2 4.47Å; F502-I585 HydrophobicContact CE1-CG2 3.96Å; F502-I585 HydrophobicContact CG-CG2 3.84Å; F502-Q586 HydrophobicContact CE2-CG 4.02Å; F502-Q586 HydrophobicContact CZ-CG 4.1Å
503	S	97.4	Very high	98.2	Very high	90 Å²	90	30 Å²	30	63%	0.629	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.3	174.1	76	0	0	0	0	114.6	R499 D500 F501	R499-S503 WeakPolarHBondContact O-CB 3.33Å; R499-S503 PolarHBondContact O-N 2.87Å; D500-S503 PolarHBondContact O-OG 3.38Å; F501-S503 PolarHBondContact O-N 3.35Å
504	K	96.9	Very high	98.2	Very high	111 Å²	111	30.2 Å²	30.2	48%	0.483	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-42.2	179	-58.4	159.5	-168.8	143.2	0	111.3	P420 D500 F501 F502	P420-K504 WeakPolarHBondContact CB-O 3.44Å; P420-K504 WeakPolarHBondContact CG-O 3.21Å; D500-K504 VanDerWaalsContact O-CE 3.29Å; D500-K504 WeakPolarHBondContact O-CE 3.37Å; D500-K504 PolarHBondContact O-NZ 3.25Å; F501-K504 WeakPolarHBondContact O-CB 3.48Å; F501-K504 PolarHBondContact O-N 3.12Å; F502-K504 PolarHBondContact O-N 3.23Å; F502-K504 VanDerWaalsContact O-N 3.1Å
505	V	97.5	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-129.8	100.9	-177.6	-174.8	0	0	0	0	108.1	F411 L419 P420 V423 F501 F502 V507	F411-V505 HydrophobicContact CD1-CG2 3.88Å; F411-V505 HydrophobicContact CE1-CG2 3.74Å; L419-V505 HydrophobicContact CD1-CG1 4.36Å; L419-V505 HydrophobicContact CD2-CG1 4.13Å; L419-V505 HydrophobicContact CD2-CG2 4.01Å; L419-V505 HydrophobicContact CG-CG1 3.85Å; L419-V505 HydrophobicContact CG-CG2 4.01Å; P420-V505 HydrophobicContact CG-CG2 4.09Å; V423-V505 HydrophobicContact CG2-CG1 3.8Å; F501-V505 HydrophobicContact CD1-CB 4.43Å; F501-V505 HydrophobicContact CE1-CB 3.79Å; F501-V505 HydrophobicContact CE1-CG1 4.26Å; F501-V505 HydrophobicContact CE1-CG2 4.31Å; F501-V505 HydrophobicContact CZ-CB 4.09Å; F501-V505 HydrophobicContact CZ-CG2 4.1Å; F501-V505 PolarHBondContact O-N 2.94Å; F502-V505 WeakPolarHBondContact CA-O 3.24Å; F502-V505 CarbonylContact O-C 3.54Å; F502-V505 PolarHBondContact O-N 3.18Å; V505-V507 VanDerWaalsContact C-N 3.28Å; V505-V507 HydrophobicContact CG1-CG1 3.79Å; V505-V507 PolarHBondContact O-N 3.23Å
506	P	95.6	Very high	98.2	Very high	36 Å²	36	29.4 Å²	29.4	23%	0.234	15%	0.151	C	C	.	.			trans	-77.6	76.2	-174.1	31.5	-35.4	0	0	0	111.2	V423 H427 F502	V423-P506 HydrophobicContact CG1-CG 4.06Å; V423-P506 WeakPolarHBondContact CG1-O 3.45Å; H427-P506 PolarHBondContact CE1-O 2.81Å; F502-P506 HydrophobicContact CE2-CB 4.11Å; F502-P506 HydrophobicContact CZ-CB 4.11Å
507	V	97.6	Very high	98.2	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.018	14%	0.138	C	C	.	.			trans	-71.4	142.9	178.1	-55.5	0	0	0	0	111.4	Y433 I435 F501 F502 V505 L510 Q586	Y433-V507 HydrophobicContact CD1-CG1 4.07Å; Y433-V507 HydrophobicContact CE1-CG1 4.41Å; I435-V507 HydrophobicContact CD1-CG1 4.04Å; I435-V507 HydrophobicContact CG1-CG1 4.13Å; I435-V507 HydrophobicContact CG2-CG1 4.42Å; F501-V507 HydrophobicContact CE1-CG1 4.18Å; F502-V507 HydrophobicContact CD2-CG2 4.49Å; F502-V507 VanDerWaalsContact CE2-O 3.27Å; F502-V507 WeakPolarHBondContact CE2-O 3.45Å; V505-V507 VanDerWaalsContact C-N 3.28Å; V505-V507 HydrophobicContact CG1-CG1 3.79Å; V505-V507 PolarHBondContact O-N 3.23Å; V507-L510 HydrophobicContact CG2-CD2 4.01Å; V507-Q586 PolarHBondContact O-NE2 2.85Å
508	D	98.5	Very high	98.2	Very high	28 Å²	28	26.6 Å²	26.6	15%	0.15	14%	0.135	C	C	.	.	S	Bend	trans	-85.7	-20.2	-174.2	-59.7	-84	0	0	0	113.2	W362 H427 K432 Y433 Q586	W362-D508 HydrophobicContact CH2-CB 4.2Å; W362-D508 HydrophobicContact CZ2-CB 4.11Å; H427-D508 IonicContact CD2-OD1 2.73Å; H427-D508 IonicContact CD2-OD2 3.2Å; H427-D508 IonicContact CE1-OD1 2.69Å; H427-D508 IonicContact CE1-OD2 3.86Å; H427-D508 VanDerWaalsContact NE2-CG 3.35Å; H427-D508 IonicContact NE2-OD1 2.8Å; H427-D508 PolarHBondContact NE2-OD1 3.11Å; H427-D508 IonicContact NE2-OD2 2.67Å; H427-D508 PolarHBondContact NE2-OD2 2.74Å; K432-D508 VanDerWaalsContact CA-OD2 3.24Å; K432-D508 WeakPolarHBondContact CA-OD2 3.25Å; K432-D508 HydrophobicContact CB-CB 3.98Å; K432-D508 HydrophobicContact CD-CB 3.8Å; K432-D508 WeakPolarHBondContact CD-OD1 3.39Å; K432-D508 HydrophobicContact CG-CB 4.4Å; Y433-D508 PolarHBondContact N-OD2 3.39Å; Y433-D508 PolarHBondContact O-N 3.34Å; D508-Q586 PolarHBondContact O-NE2 3.16Å
509	G	98.5	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	171.8	177.5	0	0	0	0	0	111.5	F591	G509-F591 VanDerWaalsContact CA-O 3.25Å; G509-F591 WeakPolarHBondContact CA-O 3.15Å
510	L	98.8	Very high	98.2	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.7	-177.6	-67.8	170.7	0	0	0	111	I435 L437 I498 V507 T578 L582 F591 V592 L593	I435-L510 HydrophobicContact CD1-CD2 4.37Å; I435-L510 HydrophobicContact CG1-CD2 3.94Å; L437-L510 HydrophobicContact CD2-CD1 3.95Å; L437-L510 HydrophobicContact CD2-CD2 4.3Å; I498-L510 HydrophobicContact CD1-CD1 3.88Å; I498-L510 HydrophobicContact CG1-CD1 4.1Å; I498-L510 HydrophobicContact CG2-CD1 4.05Å; V507-L510 HydrophobicContact CG2-CD2 4.01Å; L510-T578 HydrophobicContact CB-CG2 4.01Å; L510-T578 HydrophobicContact CD1-CG2 3.62Å; L510-T578 HydrophobicContact CG-CG2 4.45Å; L510-L582 HydrophobicContact CB-CD1 4.24Å; L510-L582 HydrophobicContact CD1-CD1 4.08Å; L510-L582 HydrophobicContact CD1-CD2 3.91Å; L510-L582 HydrophobicContact CD1-CG 4.04Å; L510-L582 HydrophobicContact CG-CD1 4.14Å; L510-L582 HydrophobicContact CG-CD2 4.21Å; L510-F591 PolarHBondContact N-O 3.21Å; L510-V592 WeakPolarHBondContact O-CA 3.16Å; L510-L593 PolarHBondContact O-N 2.83Å; L510-L593 VanDerWaalsContact O-N 3.09Å
511	W	98.9	Very high	98.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	109.4	169.6	166.1	20.6	0	0	0	107.3	W397 D399 I434 I435 I436 L437 L593 W608 H669	W397-W511 HydrophobicContact CE3-CB 4.26Å; W397-W511 HydrophobicContact CE3-CD2 4.14Å; W397-W511 AromaticContact CE3-CE3 3.65Å; W397-W511 HydrophobicContact CE3-CE3 3.65Å; W397-W511 HydrophobicContact CE3-CG 4.41Å; W397-W511 HydrophobicContact CE3-CZ3 4.41Å; W397-W511 HydrophobicContact CH2-CB 4.27Å; W397-W511 HydrophobicContact CZ3-CB 3.57Å; W397-W511 AromaticContact CZ3-CD2 3.82Å; W397-W511 HydrophobicContact CZ3-CD2 3.82Å; W397-W511 AromaticContact CZ3-CE3 3.83Å; W397-W511 HydrophobicContact CZ3-CE3 3.83Å; W397-W511 AromaticContact CZ3-CG 3.72Å; W397-W511 HydrophobicContact CZ3-CG 3.72Å; D399-W511 HydrophobicContact CB-CZ3 4.49Å; I434-W511 HydrophobicContact CG2-CB 4.07Å; I435-W511 PolarHBondContact O-N 3.4Å; I436-W511 CarbonylContact C-O 3.57Å; I436-W511 VanDerWaalsContact CA-O 3.3Å; I436-W511 WeakPolarHBondContact CA-O 3.5Å; I436-W511 HydrophobicContact CB-CD2 3.88Å; I436-W511 HydrophobicContact CB-CE3 3.55Å; I436-W511 HydrophobicContact CB-CG 4.43Å; I436-W511 HydrophobicContact CB-CH2 4.48Å; I436-W511 HydrophobicContact CB-CZ3 3.88Å; I436-W511 HydrophobicContact CD1-CD2 4.23Å; I436-W511 HydrophobicContact CD1-CE3 4.25Å; I436-W511 HydrophobicContact CD1-CH2 3.74Å; I436-W511 HydrophobicContact CD1-CZ2 3.71Å; I436-W511 HydrophobicContact CD1-CZ3 4.02Å; I436-W511 HydrophobicContact CG1-CD2 3.81Å; I436-W511 HydrophobicContact CG1-CE3 3.95Å; I436-W511 HydrophobicContact CG1-CG 4.28Å; I436-W511 HydrophobicContact CG1-CH2 4.35Å; I436-W511 HydrophobicContact CG1-CZ2 4.24Å; I436-W511 HydrophobicContact CG1-CZ3 4.21Å; L437-W511 PolarHBondContact N-O 3.38Å; W511-L593 CarbonylContact C-O 3.58Å; W511-L593 WeakPolarHBondContact CA-O 3.34Å; W511-W608 AromaticContact CD1-CH2 3.59Å; W511-W608 AromaticContact CD1-CZ3 3.51Å; W511-W608 AromaticContact CE2-CH2 3.91Å; W511-W608 HydrophobicContact CZ2-CH2 4.42Å; W511-W608 HydrophobicContact CZ2-CZ2 4.12Å; W511-W608 AromaticContact NE1-CH2 2.85Å; W511-W608 AromaticContact NE1-CZ2 3.38Å; W511-W608 AromaticContact NE1-CZ3 3.25Å; W511-H669 AromaticContact CH2-CE1 3.57Å; W511-H669 AromaticContact CH2-NE2 3.51Å
512	I	98.9	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	125.4	176.4	58.2	178.8	0	0	0	109.1	L437 E574 A575 T578 V592 L593 S594 R595	L437-I512 HydrophobicContact CB-CG2 4.43Å; L437-I512 HydrophobicContact CD2-CG2 4.46Å; L437-I512 WeakPolarHBondContact O-CA 3.33Å; I512-E574 HydrophobicContact CD1-CB 4.3Å; I512-E574 HydrophobicContact CD1-CG 3.89Å; I512-E574 HydrophobicContact CG2-CG 4.42Å; I512-A575 HydrophobicContact CD1-CB 3.92Å; I512-T578 HydrophobicContact CG2-CG2 4.07Å; I512-V592 HydrophobicContact CD1-CG1 3.68Å; I512-V592 HydrophobicContact CG1-CG1 3.88Å; I512-L593 WeakPolarHBondContact CG1-O 3.15Å; I512-L593 PolarHBondContact N-O 2.76Å; I512-S594 WeakPolarHBondContact O-CA 3.38Å; I512-R595 PolarHBondContact O-N 3.25Å
513	D	98.7	Very high	98.2	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.059	13%	0.133	C	C	.	.			trans	-134.3	170.7	-171.3	-163.8	17.6	0	0	0	110.8	I436 P439 N515 R595 W608	I436-D513 HydrophobicContact CD1-CB 3.75Å; I436-D513 HydrophobicContact CG1-CB 3.85Å; P439-D513 WeakPolarHBondContact CD-O 3.39Å; D513-N515 PolarHBondContact O-N 3.03Å; D513-N515 VanDerWaalsContact O-N 3.16Å; D513-R595 WeakPolarHBondContact OD1-CD 3.44Å; D513-R595 IonicContact OD1-CZ 2.76Å; D513-R595 IonicContact OD1-NE 3.07Å; D513-R595 PolarHBondContact OD1-NE 2.78Å; D513-R595 VanDerWaalsContact OD1-NE 3.14Å; D513-R595 IonicContact OD1-NH1 3.95Å; D513-R595 PolarHBondContact OD1-NH1 2.93Å; D513-R595 IonicContact OD2-NH1 3.79Å; D513-W608 HydrophobicContact CB-CH2 4.2Å; D513-W608 WeakPolarHBondContact OD1-CH2 3.46Å
514	M	98.6	Very high	98.3	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.034	11%	0.108	C	C	.	.	S	Bend	trans	60.1	23.8	179.9	-44.2	-57.5	-64.1	0	0	113.2	D277 V475 S518 F520 R595	D277-M514 WeakPolarHBondContact OD2-CE 3.49Å; V475-M514 HydrophobicContact CG1-CB 4.41Å; V475-M514 HydrophobicContact CG1-CE 4.01Å; V475-M514 HydrophobicContact CG1-CG 4.36Å; M514-S518 PolarHBondContact O-N 3.4Å; M514-F520 HydrophobicContact CE-CE1 3.74Å; M514-F520 HydrophobicContact CE-CZ 4.04Å; M514-R595 PolarHBondContact SD-NH1 3.14Å
515	N	98.9	Very high	98.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	29	-161.5	72	-12.8	0	0	0	115.3	P439 D513 Y570 G571 E574 S594 S596	P439-N515 HydrophobicContact CG-CB 4.2Å; D513-N515 PolarHBondContact O-N 3.03Å; D513-N515 VanDerWaalsContact O-N 3.16Å; N515-Y570 HydrophobicContact CB-CD1 4.36Å; N515-Y570 WeakPolarHBondContact O-CD1 3.5Å; N515-G571 WeakPolarHBondContact O-CA 3.16Å; N515-G571 PolarHBondContact O-N 2.79Å; N515-G571 VanDerWaalsContact O-N 3.08Å; N515-E574 WeakPolarHBondContact CB-OE2 2.97Å; N515-E574 PolarHBondContact ND2-OE2 3.04Å; N515-S594 PolarHBondContact ND2-OG 2.92Å; N515-S596 VanDerWaalsContact O-CB 3.25Å; N515-S596 WeakPolarHBondContact O-CB 3.46Å; N515-S596 WeakPolarHBondContact OD1-CB 3.3Å; N515-S596 PolarHBondContact OD1-N 2.86Å
516	E	98.9	Very high	98.3	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.5	167.9	-61.3	74.7	-151.6	0	0	115.6	N275 Y287 H567 R595	N275-E516 HydrophobicContact CB-CB 4.09Å; N275-E516 HydrophobicContact CB-CG 4.29Å; Y287-E516 WeakPolarHBondContact CD1-OE1 3.17Å; E516-H567 PolarHBondContact O-CE1 3.32Å; E516-R595 VanDerWaalsContact CD-NH2 3.34Å; E516-R595 IonicContact OE1-CZ 2.68Å; E516-R595 IonicContact OE1-NE 3.69Å; E516-R595 PolarHBondContact OE1-NE 2.88Å; E516-R595 IonicContact OE1-NH2 3.92Å; E516-R595 PolarHBondContact OE1-NH2 3.07Å; E516-R595 IonicContact OE2-CZ 3.91Å; E516-R595 IonicContact OE2-NE 2.72Å; E516-R595 IonicContact OE2-NH2 2.69Å; E516-R595 PolarHBondContact OE2-NH2 2.69Å
517	P	98.8	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.8	141	-1.2	32.6	-31.9	0	0	0	113.3	F482 T551 I552 Y570	F482-P517 HydrophobicContact CD1-CB 3.91Å; F482-P517 HydrophobicContact CE1-CB 3.98Å; P517-T551 WeakPolarHBondContact O-CA 3.14Å; P517-T551 VanDerWaalsContact O-CB 3.23Å; P517-T551 WeakPolarHBondContact O-CB 3.48Å; P517-T551 PolarHBondContact O-OG1 3.17Å; P517-I552 HydrophobicContact CG-CD1 4.27Å; P517-I552 HydrophobicContact CG-CG1 4.26Å; P517-Y570 HydrophobicContact CB-CD1 3.78Å; P517-Y570 HydrophobicContact CB-CE1 3.78Å; P517-Y570 HydrophobicContact CB-CG 4.19Å; P517-Y570 HydrophobicContact CG-CD1 4.18Å; P517-Y570 HydrophobicContact CG-CD2 4.19Å; P517-Y570 HydrophobicContact CG-CE1 4.39Å; P517-Y570 HydrophobicContact CG-CE2 4.42Å; P517-Y570 HydrophobicContact CG-CG 4.06Å
518	S	98.8	Very high	98.3	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.028	16%	0.16	C	C	.	.			trans	-77.3	142.6	175.2	-178.2	0	0	0	0	112.5	D277 M514 G550	D277-S518 WeakPolarHBondContact OD2-CB 3.24Å; D277-S518 PolarHBondContact OD2-OG 2.89Å; M514-S518 PolarHBondContact O-N 3.4Å; S518-G550 CarbonylContact C-O 3.45Å; S518-G550 WeakPolarHBondContact CA-O 3.42Å
519	S	98.7	Very high	98.2	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	17%	0.17	C	C	.	.			trans	-142.5	134.8	165.4	-160.6	0	0	0	0	113.8	K474 V521 G550	K474-S519 PolarHBondContact N-OG 3.24Å; K474-S519 PolarHBondContact O-OG 2.81Å; K474-S519 VanDerWaalsContact O-OG 3.05Å; S519-V521 WeakPolarHBondContact CB-O 3.36Å; S519-V521 PolarHBondContact O-N 3.43Å; S519-V521 PolarHBondContact OG-O 3.41Å; S519-G550 PolarHBondContact N-O 3.48Å; S519-G550 CarbonylContact O-C 3.49Å
520	F	98.6	Very high	98.1	Very high	92 Å²	92	35 Å²	35	40%	0.404	20%	0.203	S	C	.	.	S	Bend	trans	-76.3	3.1	176.3	-53.5	-19.5	0	0	0	113.6	K474 V475 W476 M514	K474-F520 HydrophobicContact CB-CB 4.48Å; K474-F520 PolarHBondContact O-N 2.88Å; V475-F520 HydrophobicContact CG1-CE1 4.1Å; V475-F520 HydrophobicContact CG1-CE2 4.12Å; V475-F520 HydrophobicContact CG1-CZ 3.78Å; W476-F520 AromaticContact CD2-CE2 3.96Å; W476-F520 HydrophobicContact CD2-CE2 3.96Å; W476-F520 AromaticContact CD2-CZ 3.73Å; W476-F520 HydrophobicContact CD2-CZ 3.73Å; W476-F520 AromaticContact CE2-CZ 3.71Å; W476-F520 AromaticContact CE3-CE2 3.87Å; W476-F520 HydrophobicContact CE3-CE2 3.87Å; W476-F520 AromaticContact CE3-CZ 3.94Å; W476-F520 HydrophobicContact CE3-CZ 3.94Å; W476-F520 HydrophobicContact CG-CE2 4.4Å; W476-F520 HydrophobicContact CG-CZ 4.26Å; W476-F520 HydrophobicContact CH2-CZ 4.09Å; W476-F520 AromaticContact CZ2-CZ 3.92Å; W476-F520 HydrophobicContact CZ2-CZ 3.92Å; W476-F520 HydrophobicContact CZ3-CE2 4.21Å; W476-F520 HydrophobicContact CZ3-CZ 4.1Å; M514-F520 HydrophobicContact CE-CE1 3.74Å; M514-F520 HydrophobicContact CE-CZ 4.04Å
521	V	98.1	Very high	97.9	Very high	38 Å²	38	36.5 Å²	36.5	23%	0.23	21%	0.214	C	C	.	.	S	Bend	trans	-128.7	143	168	-66.5	0	0	0	0	108.1	K474 S519 G523 V525	K474-V521 HydrophobicContact CB-CG1 3.98Å; K474-V521 HydrophobicContact CB-CG2 3.91Å; K474-V521 HydrophobicContact CD-CG1 4Å; S519-V521 WeakPolarHBondContact CB-O 3.36Å; S519-V521 PolarHBondContact O-N 3.43Å; S519-V521 PolarHBondContact OG-O 3.41Å; V521-G523 PolarHBondContact O-N 3.4Å; V521-G523 VanDerWaalsContact O-N 3.14Å; V521-V525 HydrophobicContact CG2-CG1 4.27Å
522	Q	97.5	Very high	97.7	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.444	24%	0.239	S	C	.	.	S	Bend	trans	-68.4	111.7	178.2	-172.4	179	-3	0	0	109.8	S524 N548	Q522-S524 VanDerWaalsContact C-N 3.35Å; Q522-S524 PolarHBondContact O-N 2.83Å; Q522-N548 WeakPolarHBondContact CG-O 3.4Å; Q522-N548 WeakPolarHBondContact CG-OD1 3.32Å; Q522-N548 PolarHBondContact NE2-OD1 3.45Å
523	G	98.2	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	79.3	-68.5	174.9	0	0	0	0	0	115.5	V521 C528 N548 T551 I552 C553	V521-G523 PolarHBondContact O-N 3.4Å; V521-G523 VanDerWaalsContact O-N 3.14Å; G523-C528 WeakPolarHBondContact CA-SG 3.28Å; G523-N548 PolarHBondContact N-O 2.92Å; G523-T551 WeakPolarHBondContact CA-O 3.31Å; G523-T551 PolarHBondContact N-O 2.84Å; G523-I552 VanDerWaalsContact O-CA 3.24Å; G523-I552 WeakPolarHBondContact O-CA 3.32Å; G523-C553 VanDerWaalsContact C-SG 3.55Å; G523-C553 PolarHBondContact O-N 2.92Å
524	S	98.4	Very high	97.6	Very high	13 Å²	13	44.1 Å²	44.1	9%	0.091	25%	0.251	C	S	.	.			trans	-160.4	168.7	177.2	94.8	0	0	0	0	111.7	I472 Q522 V526 G527	I472-S524 CarbonylContact O-C 3.52Å; I472-S524 WeakPolarHBondContact O-CA 3.29Å; I472-S524 WeakPolarHBondContact O-CB 3.28Å; Q522-S524 VanDerWaalsContact C-N 3.35Å; Q522-S524 PolarHBondContact O-N 2.83Å; S524-V526 PolarHBondContact O-N 3.17Å; S524-V526 VanDerWaalsContact O-N 3.14Å; S524-V526 VanDerWaalsContact OG-CG2 3.26Å; S524-V526 WeakPolarHBondContact OG-CG2 3.34Å; S524-V526 PolarHBondContact OG-N 3.42Å; S524-G527 WeakPolarHBondContact CB-O 3.42Å; S524-G527 PolarHBondContact O-N 3.31Å; S524-G527 PolarHBondContact OG-N 3.25Å; S524-G527 PolarHBondContact OG-O 3.02Å
525	V	98.1	Very high	97.5	Very high	75 Å²	75	50 Å²	50	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12	175	-58.2	0	0	0	0	114	I472 G473 V521	I472-V525 HydrophobicContact CB-CG2 3.93Å; I472-V525 HydrophobicContact CG2-CG1 4.11Å; I472-V525 HydrophobicContact CG2-CG2 3.88Å; I472-V525 WeakPolarHBondContact O-CG2 3.15Å; I472-V525 PolarHBondContact O-N 2.97Å; G473-V525 WeakPolarHBondContact O-CG1 3.39Å; V521-V525 HydrophobicContact CG2-CG1 4.27Å
526	V	96.5	Very high	97.4	Very high	125 Å²	125	50.5 Å²	50.5	76%	0.758	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	8.9	172.3	-61.1	0	0	0	0	112.9	S524	S524-V526 PolarHBondContact O-N 3.17Å; S524-V526 VanDerWaalsContact O-N 3.14Å; S524-V526 VanDerWaalsContact OG-CG2 3.26Å; S524-V526 WeakPolarHBondContact OG-CG2 3.34Å; S524-V526 PolarHBondContact OG-N 3.42Å
527	G	96.8	Very high	97.3	Very high	34 Å²	34	53.2 Å²	53.2	35%	0.351	30%	0.297	S	S	.	.			trans	76.1	-163.9	-171.4	0	0	0	0	0	113.3	S524 C553	S524-G527 WeakPolarHBondContact CB-O 3.42Å; S524-G527 PolarHBondContact O-N 3.31Å; S524-G527 PolarHBondContact OG-N 3.25Å; S524-G527 PolarHBondContact OG-O 3.02Å; G527-C553 PolarHBondContact O-SG 2.97Å
528	C	98.1	Very high	97.2	Very high	41 Å²	41	53.8 Å²	53.8	28%	0.277	30%	0.3	S	S	.	.			trans	-119.9	155.2	178.1	-58.1	0	0	0	0	111.2	G523 E534 C553	G523-C528 WeakPolarHBondContact CA-SG 3.28Å; C528-E534 HydrophobicContact CB-CG 3.79Å; C528-C553 WeakPolarHBondContact CA-SG 3.49Å; C528-C553 HydrophobicContact CB-CB 3.87Å; C528-C553 WeakPolarHBondContact CB-SG 3.22Å; C528-C553 WeakPolarHBondContact SG-CA 3.46Å; C528-C553 WeakPolarHBondContact SG-CB 3.24Å; C528-C553 CovalentContact SG-SG 2.04Å; C528-C553 PolarHBondContact SG-SG 2.87Å
529	P	96.5	Very high	97.1	Very high	56 Å²	56	56 Å²	56	36%	0.364	31%	0.313	S	S	.	.			trans	-66.8	149.9	175.2	30.4	-36.6	0	0	0	111.3	A466 S531 E534 S555	A466-P529 HydrophobicContact CB-CG 4.09Å; P529-S531 PolarHBondContact O-N 2.99Å; P529-S531 VanDerWaalsContact O-N 3.14Å; P529-E534 VanDerWaalsContact O-CG 3.23Å; P529-E534 WeakPolarHBondContact O-CG 3.23Å; P529-S555 WeakPolarHBondContact CD-OG 3.42Å; P529-S555 WeakPolarHBondContact CG-OG 3.3Å
530	D	95.1	Very high	96.9	Very high	128 Å²	128	55.8 Å²	55.8	68%	0.684	31%	0.311	S	S	*	.	S	Bend	trans	-73.5	106.5	171.7	-157.6	-2.5	0	0	0	109.6	K535	D530-K535 WeakPolarHBondContact OD1-CD 3.16Å; D530-K535 VanDerWaalsContact OD1-CE 3.26Å; D530-K535 WeakPolarHBondContact OD1-CE 3.27Å; D530-K535 IonicContact OD1-NZ 3.88Å; D530-K535 PolarHBondContact OD1-NZ 3.4Å; D530-K535 IonicContact OD2-NZ 2.69Å; D530-K535 PolarHBondContact OD2-NZ 2.75Å
531	S	95.1	Very high	96.7	Very high	37 Å²	37	58.3 Å²	58.3	26%	0.259	32%	0.318	S	S	.	.	S	Bend	trans	-152.8	158.8	-175.4	71.8	0	0	0	0	112.3	P529 L533 E534 K535	P529-S531 PolarHBondContact O-N 2.99Å; P529-S531 VanDerWaalsContact O-N 3.14Å; S531-L533 PolarHBondContact O-N 2.94Å; S531-L533 VanDerWaalsContact O-N 3.11Å; S531-E534 PolarHBondContact O-N 3.41Å; S531-E534 VanDerWaalsContact O-N 3.1Å; S531-K535 PolarHBondContact O-N 3.38Å
532	E	95.4	Very high	96.6	Very high	114 Å²	114	57 Å²	57	53%	0.533	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.4	176.9	-59.8	178	130.3	0	0	113.4	K155 Q239 K535 P536	K155-E532 IonicContact NZ-OE1 3.14Å; K155-E532 PolarHBondContact NZ-OE1 2.87Å; K155-E532 IonicContact NZ-OE2 3.89Å; K155-E532 PolarHBondContact NZ-OE2 2.71Å; Q239-E532 PolarHBondContact NE2-O 2.77Å; E532-K535 CarbonylContact O-C 3.26Å; E532-P536 WeakPolarHBondContact O-CA 3.49Å
533	L	97.3	Very high	96.5	Very high	48 Å²	48	54.2 Å²	54.2	25%	0.251	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-33.5	173.8	-62	-177.8	0	0	0	112.7	S531 M554 Y564	S531-L533 PolarHBondContact O-N 2.94Å; S531-L533 VanDerWaalsContact O-N 3.11Å; L533-M554 HydrophobicContact CB-CB 4.15Å; L533-M554 WeakPolarHBondContact O-CB 3.08Å; L533-M554 WeakPolarHBondContact O-CG 3.43Å; L533-Y564 HydrophobicContact CB-CD2 4.2Å; L533-Y564 HydrophobicContact CD2-CD1 4.03Å; L533-Y564 HydrophobicContact CD2-CD2 4.07Å; L533-Y564 HydrophobicContact CD2-CE1 4.31Å; L533-Y564 HydrophobicContact CD2-CE2 4.31Å; L533-Y564 HydrophobicContact CD2-CG 3.89Å; L533-Y564 WeakPolarHBondContact O-CD2 3.49Å
534	E	98	Very high	96.3	Very high	11 Å²	11	56.8 Å²	56.8	5%	0.051	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-28.5	173	-51.5	-56.6	152.7	0	0	111.9	C528 P529 S531 N548 C553 M554 S555	C528-E534 HydrophobicContact CB-CG 3.79Å; P529-E534 VanDerWaalsContact O-CG 3.23Å; P529-E534 WeakPolarHBondContact O-CG 3.23Å; S531-E534 PolarHBondContact O-N 3.41Å; S531-E534 VanDerWaalsContact O-N 3.1Å; E534-N548 PolarHBondContact OE2-ND2 3.18Å; E534-C553 WeakPolarHBondContact OE1-CB 2.97Å; E534-M554 VanDerWaalsContact CD-N 3.29Å; E534-M554 PolarHBondContact OE1-N 2.79Å; E534-M554 PolarHBondContact OE2-N 2.98Å; E534-S555 VanDerWaalsContact OE1-CB 3.29Å; E534-S555 WeakPolarHBondContact OE1-CB 3.41Å; E534-S555 PolarHBondContact OE1-N 3.28Å; E534-S555 PolarHBondContact OE1-OG 3.19Å
535	K	96.8	Very high	96.1	Very high	130 Å²	130	58.5 Å²	58.5	57%	0.565	35%	0.346	S	S	*	.	S	Bend	trans	-126.5	70.2	179.1	-62	176.1	-171.5	164.7	0	110	D530 S531 E532	D530-K535 WeakPolarHBondContact OD1-CD 3.16Å; D530-K535 VanDerWaalsContact OD1-CE 3.26Å; D530-K535 WeakPolarHBondContact OD1-CE 3.27Å; D530-K535 IonicContact OD1-NZ 3.88Å; D530-K535 PolarHBondContact OD1-NZ 3.4Å; D530-K535 IonicContact OD2-NZ 2.69Å; D530-K535 PolarHBondContact OD2-NZ 2.75Å; S531-K535 PolarHBondContact O-N 3.38Å; E532-K535 CarbonylContact O-C 3.26Å
536	P	96.8	Very high	96.1	Very high	12 Å²	12	59.3 Å²	59.3	8%	0.078	35%	0.345	C	S	.	.			trans	-63.4	157.1	177.6	28.9	-36.4	0	0	0	111.5	E532 Y538 L547 Y564	E532-P536 WeakPolarHBondContact O-CA 3.49Å; P536-Y538 WeakPolarHBondContact CB-O 3.31Å; P536-Y538 VanDerWaalsContact CG-O 3.29Å; P536-Y538 WeakPolarHBondContact CG-O 3.25Å; P536-Y538 PolarHBondContact O-N 2.89Å; P536-Y538 VanDerWaalsContact O-N 3.15Å; P536-L547 HydrophobicContact CG-CD1 4.06Å; P536-Y564 HydrophobicContact CB-CE2 4.2Å; P536-Y564 HydrophobicContact CG-CE2 4.39Å
537	P	95.1	Very high	96.2	Very high	59 Å²	59	53.4 Å²	53.4	38%	0.383	31%	0.309	S	S	.	.	S	Bend	trans	-64.2	-17.4	177.6	27.8	-35.9	0	0	0	113.2	P154 Q239	P154-P537 HydrophobicContact CG-CB 3.69Å; P154-P537 HydrophobicContact CG-CG 4.07Å; Q239-P537 HydrophobicContact CB-CG 3.86Å
538	Y	96.6	Very high	96.2	Very high	11 Å²	11	52.1 Å²	52.1	4%	0.043	29%	0.294	C	S	.	.			trans	-137.2	132	168.8	175.2	-112.7	0	0	0	109.6	R92 Y240 E314 V326 T328 P536 P540	R92-Y538 WeakPolarHBondContact CD-OH 3.44Å; R92-Y538 HydrophobicContact CG-CE2 3.94Å; R92-Y538 WeakPolarHBondContact O-CE2 3.36Å; Y240-Y538 AromaticContact CD2-CD1 3.99Å; Y240-Y538 HydrophobicContact CD2-CD1 3.99Å; Y240-Y538 AromaticContact CD2-CG 3.82Å; Y240-Y538 HydrophobicContact CD2-CG 3.82Å; Y240-Y538 AromaticContact CE2-CD1 3.95Å; Y240-Y538 HydrophobicContact CE2-CD1 3.95Å; Y240-Y538 HydrophobicContact CE2-CD2 4.11Å; Y240-Y538 HydrophobicContact CE2-CE1 4.43Å; Y240-Y538 AromaticContact CE2-CG 3.75Å; Y240-Y538 HydrophobicContact CE2-CG 3.75Å; E314-Y538 HydrophobicContact CB-CE1 4.4Å; E314-Y538 WeakPolarHBondContact CB-OH 3.5Å; E314-Y538 PolarHBondContact OE2-OH 3.06Å; V326-Y538 HydrophobicContact CB-CE1 4Å; V326-Y538 HydrophobicContact CG1-CD1 3.73Å; V326-Y538 HydrophobicContact CG1-CE1 3.33Å; T328-Y538 HydrophobicContact CG2-CD1 4.15Å; P536-Y538 WeakPolarHBondContact CB-O 3.31Å; P536-Y538 VanDerWaalsContact CG-O 3.29Å; P536-Y538 WeakPolarHBondContact CG-O 3.25Å; P536-Y538 PolarHBondContact O-N 2.89Å; P536-Y538 VanDerWaalsContact O-N 3.15Å; Y538-P540 HydrophobicContact CD1-CG 4.35Å; Y538-P540 HydrophobicContact CE1-CG 3.92Å
539	T	96.8	Very high	96.2	Very high	50 Å²	50	51.3 Å²	51.3	31%	0.307	29%	0.289	S	S	.	.			trans	-117.5	117.1	172.6	-53.9	0	0	0	0	107.6	V542 L547	T539-V542 HydrophobicContact CG2-CG2 4.18Å; T539-L547 HydrophobicContact CG2-CD2 4.13Å; T539-L547 HydrophobicContact CG2-CG 4.31Å
540	P	96.1	Very high	96.2	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.013	28%	0.28	C	S	.	.			trans	-51.2	160.2	169.7	-32.4	38.5	0	0	0	112.5	T272 A312 E314 T328 Y538 V542	T272-P540 HydrophobicContact CG2-CB 3.76Å; A312-P540 HydrophobicContact CB-CG 3.95Å; E314-P540 HydrophobicContact CB-CB 4.06Å; E314-P540 HydrophobicContact CB-CG 4.42Å; E314-P540 VanDerWaalsContact OE2-CA 3.25Å; E314-P540 WeakPolarHBondContact OE2-CA 3.44Å; T328-P540 HydrophobicContact CG2-CG 3.7Å; Y538-P540 HydrophobicContact CD1-CG 4.35Å; Y538-P540 HydrophobicContact CE1-CG 3.92Å; P540-V542 HydrophobicContact CB-CG1 4.45Å; P540-V542 PolarHBondContact O-N 3.17Å
541	R	93.8	Very high	96.4	Very high	145 Å²	145	43.5 Å²	43.5	55%	0.547	25%	0.248	S	C	.	.	S	Bend	trans	-67.8	69.2	174.2	-77.1	-178.8	-84.6	-175.2	-14.5	112.8	S270 T272 E314	S270-R541 VanDerWaalsContact CB-CZ 3.45Å; S270-R541 PolarHBondContact OG-NH2 3.35Å; T272-R541 WeakPolarHBondContact CB-O 3.31Å; T272-R541 VanDerWaalsContact OG1-C 3.27Å; T272-R541 PolarHBondContact OG1-O 2.81Å; E314-R541 IonicContact OE1-CZ 2.69Å; E314-R541 IonicContact OE1-NE 3.5Å; E314-R541 PolarHBondContact OE1-NE 2.66Å; E314-R541 IonicContact OE1-NH2 2.66Å; E314-R541 PolarHBondContact OE1-NH2 2.79Å; E314-R541 PolarHBondContact OE2-N 2.9Å
542	V	96.1	Very high	96.6	Very high	11 Å²	11	41.7 Å²	41.7	7%	0.067	24%	0.236	C	C	.	.			trans	-85.4	147.6	173.1	-63.6	0	0	0	0	111	T272 W274 N285 T539 P540 G544 G545 L547	T272-V542 HydrophobicContact CG2-CB 4.48Å; T272-V542 HydrophobicContact CG2-CG1 3.56Å; W274-V542 HydrophobicContact CB-CG1 3.76Å; W274-V542 HydrophobicContact CG-CG1 3.84Å; N285-V542 WeakPolarHBondContact OD1-CA 3.16Å; T539-V542 HydrophobicContact CG2-CG2 4.18Å; P540-V542 HydrophobicContact CB-CG1 4.45Å; P540-V542 PolarHBondContact O-N 3.17Å; V542-G544 PolarHBondContact O-N 2.91Å; V542-G545 PolarHBondContact O-N 2.99Å; V542-L547 HydrophobicContact CG1-CD2 4.06Å; V542-L547 HydrophobicContact CG2-CD2 4.39Å
543	V	94.6	Very high	96.7	Very high	37 Å²	37	36.6 Å²	36.6	22%	0.224	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	122.5	174.1	-178.2	0	0	0	0	110.9	R276 M278 V284 N285 S549	R276-V543 PolarHBondContact NH1-O 3.31Å; M278-V543 HydrophobicContact CE-CG1 3.88Å; V284-V543 HydrophobicContact CB-CG2 3.55Å; V284-V543 HydrophobicContact CG1-CG2 3.4Å; V284-V543 VanDerWaalsContact CG1-CG2 3.4Å; N285-V543 PolarHBondContact OD1-N 2.99Å; V543-S549 WeakPolarHBondContact O-CB 3.43Å; V543-S549 PolarHBondContact O-OG 3.12Å
544	G	94.1	Very high	96.8	Very high	54 Å²	54	34.3 Å²	34.3	56%	0.557	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	-2	-176.3	0	0	0	0	0	114.9	V542 Q546	V542-G544 PolarHBondContact O-N 2.91Å; G544-Q546 PolarHBondContact O-N 2.81Å
545	G	95.4	Very high	96.8	Very high	49 Å²	49	34.1 Å²	34.1	51%	0.505	20%	0.201	S	C	.	.	S	Bend	trans	69.1	10.4	169.3	0	0	0	0	0	116.1	V542	V542-G545 PolarHBondContact O-N 2.99Å
546	Q	96.9	Very high	96.9	Very high	92 Å²	92	28 Å²	28	43%	0.43	17%	0.174	S	C	.	.	S	Bend	trans	-142.4	139.2	177	-62.8	-179.5	35.3	0	0	108.9	G544 N548 S549	G544-Q546 PolarHBondContact O-N 2.81Å; Q546-N548 PolarHBondContact O-N 3.18Å; Q546-S549 WeakPolarHBondContact O-CB 3.31Å; Q546-S549 PolarHBondContact O-N 3.03Å
547	L	98.4	Very high	97	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.9	-174.6	-61.6	-177.1	0	0	0	113.2	W274 A312 P536 T539 V542 S549 T551 M554 Y564	W274-L547 HydrophobicContact CD2-CD2 4.39Å; W274-L547 HydrophobicContact CZ2-CB 3.87Å; W274-L547 HydrophobicContact CZ2-CD2 4.48Å; W274-L547 PolarHBondContact NE1-O 2.8Å; A312-L547 HydrophobicContact CB-CD1 4.43Å; A312-L547 HydrophobicContact CB-CD2 3.66Å; P536-L547 HydrophobicContact CG-CD1 4.06Å; T539-L547 HydrophobicContact CG2-CD2 4.13Å; T539-L547 HydrophobicContact CG2-CG 4.31Å; V542-L547 HydrophobicContact CG1-CD2 4.06Å; V542-L547 HydrophobicContact CG2-CD2 4.39Å; L547-S549 VanDerWaalsContact C-N 3.28Å; L547-S549 PolarHBondContact O-N 2.81Å; L547-T551 VanDerWaalsContact O-CG2 3.24Å; L547-T551 WeakPolarHBondContact O-CG2 3.15Å; L547-M554 HydrophobicContact CB-CE 4.32Å; L547-M554 HydrophobicContact CB-CG 3.75Å; L547-M554 HydrophobicContact CB-SD 3.55Å; L547-M554 VanDerWaalsContact CB-SD 3.55Å; L547-M554 HydrophobicContact CD1-CG 4.34Å; L547-M554 HydrophobicContact CD1-SD 4.2Å; L547-Y564 HydrophobicContact CD1-CD2 3.94Å; L547-Y564 HydrophobicContact CD1-CE2 3.68Å
548	N	97.6	Very high	97.2	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.037	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	8.9	176.6	61.4	26.6	0	0	0	114.2	Q522 G523 E534 Q546 G550 T551 I552 M554	Q522-N548 WeakPolarHBondContact CG-O 3.4Å; Q522-N548 WeakPolarHBondContact CG-OD1 3.32Å; Q522-N548 PolarHBondContact NE2-OD1 3.45Å; G523-N548 PolarHBondContact N-O 2.92Å; E534-N548 PolarHBondContact OE2-ND2 3.18Å; Q546-N548 PolarHBondContact O-N 3.18Å; N548-G550 PolarHBondContact O-N 3.2Å; N548-T551 PolarHBondContact O-N 3.41Å; N548-T551 VanDerWaalsContact O-O 3.12Å; N548-I552 WeakPolarHBondContact CB-O 3.37Å; N548-M554 HydrophobicContact CB-CE 4.19Å
549	S	97.4	Very high	97.2	Very high	23 Å²	23	34.9 Å²	34.9	16%	0.161	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	118.2	174.9	-171.5	0	0	0	0	111.1	R276 V543 Q546 L547 T551	R276-S549 PolarHBondContact NH1-O 3.2Å; R276-S549 PolarHBondContact NH1-OG 3.06Å; V543-S549 WeakPolarHBondContact O-CB 3.43Å; V543-S549 PolarHBondContact O-OG 3.12Å; Q546-S549 WeakPolarHBondContact O-CB 3.31Å; Q546-S549 PolarHBondContact O-N 3.03Å; L547-S549 VanDerWaalsContact C-N 3.28Å; L547-S549 PolarHBondContact O-N 2.81Å; S549-T551 VanDerWaalsContact C-N 3.25Å; S549-T551 PolarHBondContact O-N 2.79Å
550	G	97.6	Very high	97.2	Very high	18 Å²	18	37.2 Å²	37.2	19%	0.186	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	75	9.2	-177.8	0	0	0	0	0	114.6	S518 S519 N548	S518-G550 CarbonylContact C-O 3.45Å; S518-G550 WeakPolarHBondContact CA-O 3.42Å; S519-G550 PolarHBondContact N-O 3.48Å; S519-G550 CarbonylContact O-C 3.49Å; N548-G550 PolarHBondContact O-N 3.2Å
551	T	98.8	Very high	97.3	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	22%	0.219	C	C	.	.	S	Bend	trans	-145.3	-168.9	-179.1	-168.2	0	0	0	0	110.8	P517 G523 L547 N548 S549 M554 H567	P517-T551 WeakPolarHBondContact O-CA 3.14Å; P517-T551 VanDerWaalsContact O-CB 3.23Å; P517-T551 WeakPolarHBondContact O-CB 3.48Å; P517-T551 PolarHBondContact O-OG1 3.17Å; G523-T551 WeakPolarHBondContact CA-O 3.31Å; G523-T551 PolarHBondContact N-O 2.84Å; L547-T551 VanDerWaalsContact O-CG2 3.24Å; L547-T551 WeakPolarHBondContact O-CG2 3.15Å; N548-T551 PolarHBondContact O-N 3.41Å; N548-T551 VanDerWaalsContact O-O 3.12Å; S549-T551 VanDerWaalsContact C-N 3.25Å; S549-T551 PolarHBondContact O-N 2.79Å; T551-M554 HydrophobicContact CG2-CE 4Å; T551-H567 PolarHBondContact OG1-CE1 2.89Å; T551-H567 VanDerWaalsContact OG1-CE1 3.28Å; T551-H567 PolarHBondContact OG1-ND1 3.19Å
552	I	98.8	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-88.4	174.6	-176.7	67	174.9	0	0	0	113.2	I463 L471 F482 P517 G523 N548 M554 H563	I463-I552 HydrophobicContact CD1-CD1 3.65Å; I463-I552 HydrophobicContact CG2-CD1 4.09Å; L471-I552 HydrophobicContact CD1-CB 4.19Å; L471-I552 HydrophobicContact CD2-CB 3.85Å; L471-I552 HydrophobicContact CD2-CG2 3.71Å; F482-I552 HydrophobicContact CD2-CG2 3.83Å; F482-I552 HydrophobicContact CE2-CG2 3.63Å; F482-I552 HydrophobicContact CG-CG2 4.36Å; F482-I552 HydrophobicContact CZ-CG2 4Å; P517-I552 HydrophobicContact CG-CD1 4.27Å; P517-I552 HydrophobicContact CG-CG1 4.26Å; G523-I552 VanDerWaalsContact O-CA 3.24Å; G523-I552 WeakPolarHBondContact O-CA 3.32Å; N548-I552 WeakPolarHBondContact CB-O 3.37Å; I552-M554 WeakPolarHBondContact O-CE 3.39Å; I552-H563 VanDerWaalsContact CG1-CD2 3.43Å; I552-H563 WeakPolarHBondContact CG1-CD2 3.47Å; I552-H563 VanDerWaalsContact CG1-NE2 3.35Å; I552-H563 WeakPolarHBondContact CG1-NE2 3.47Å
553	C	98.8	Very high	97.7	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.041	19%	0.194	C	C	.	.			trans	-64.1	138.7	-179.2	-62.2	0	0	0	0	112.7	L471 G523 G527 C528 E534 S555 A556	L471-C553 HydrophobicContact CD1-CB 4Å; G523-C553 VanDerWaalsContact C-SG 3.55Å; G523-C553 PolarHBondContact O-N 2.92Å; G527-C553 PolarHBondContact O-SG 2.97Å; C528-C553 WeakPolarHBondContact CA-SG 3.49Å; C528-C553 HydrophobicContact CB-CB 3.87Å; C528-C553 WeakPolarHBondContact CB-SG 3.22Å; C528-C553 WeakPolarHBondContact SG-CA 3.46Å; C528-C553 WeakPolarHBondContact SG-CB 3.24Å; C528-C553 CovalentContact SG-SG 2.04Å; C528-C553 PolarHBondContact SG-SG 2.87Å; E534-C553 WeakPolarHBondContact OE1-CB 2.97Å; C553-S555 VanDerWaalsContact C-N 3.35Å; C553-S555 PolarHBondContact O-N 3.46Å; C553-A556 HydrophobicContact CB-CB 4.44Å; C553-A556 WeakPolarHBondContact O-CB 3.38Å; C553-A556 PolarHBondContact O-N 2.8Å
554	M	98.8	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36	-179.1	-67	-56.5	100.4	0	0	113.4	W274 L533 E534 L547 N548 T551 I552 A556 H563 Y564	W274-M554 HydrophobicContact CH2-CE 4.21Å; W274-M554 HydrophobicContact CH2-SD 3.54Å; W274-M554 VanDerWaalsContact CH2-SD 3.54Å; W274-M554 HydrophobicContact CZ2-CE 3.65Å; W274-M554 HydrophobicContact CZ2-SD 3.42Å; W274-M554 WeakPolarHBondContact CZ2-SD 3.34Å; L533-M554 HydrophobicContact CB-CB 4.15Å; L533-M554 WeakPolarHBondContact O-CB 3.08Å; L533-M554 WeakPolarHBondContact O-CG 3.43Å; E534-M554 VanDerWaalsContact CD-N 3.29Å; E534-M554 PolarHBondContact OE1-N 2.79Å; E534-M554 PolarHBondContact OE2-N 2.98Å; L547-M554 HydrophobicContact CB-CE 4.32Å; L547-M554 HydrophobicContact CB-CG 3.75Å; L547-M554 HydrophobicContact CB-SD 3.55Å; L547-M554 VanDerWaalsContact CB-SD 3.55Å; L547-M554 HydrophobicContact CD1-CG 4.34Å; L547-M554 HydrophobicContact CD1-SD 4.2Å; N548-M554 HydrophobicContact CB-CE 4.19Å; T551-M554 HydrophobicContact CG2-CE 4Å; I552-M554 WeakPolarHBondContact O-CE 3.39Å; M554-A556 PolarHBondContact O-N 2.82Å; M554-H563 PolarHBondContact O-N 2.98Å; M554-Y564 HydrophobicContact CB-CD2 4.04Å; M554-Y564 HydrophobicContact CG-CD2 4.26Å; M554-Y564 PolarHBondContact O-N 3.48Å; M554-Y564 HydrophobicContact SD-CD2 4.41Å
555	S	98.4	Very high	98.1	Very high	8 Å²	8	28.4 Å²	28.4	6%	0.056	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.6	175.9	58.4	0	0	0	0	114	P529 E534 C553 Q557	P529-S555 WeakPolarHBondContact CD-OG 3.42Å; P529-S555 WeakPolarHBondContact CG-OG 3.3Å; E534-S555 VanDerWaalsContact OE1-CB 3.29Å; E534-S555 WeakPolarHBondContact OE1-CB 3.41Å; E534-S555 PolarHBondContact OE1-N 3.28Å; E534-S555 PolarHBondContact OE1-OG 3.19Å; C553-S555 VanDerWaalsContact C-N 3.35Å; C553-S555 PolarHBondContact O-N 3.46Å; S555-Q557 PolarHBondContact O-NE2 3.16Å
556	A	98.6	Very high	98.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.			trans	-62.6	142.8	175.7	0	0	0	0	0	111.2	I463 K464 L471 C553 M554 S562 H563	I463-A556 HydrophobicContact CG2-CB 3.7Å; K464-A556 CarbonylContact O-C 3.6Å; K464-A556 VanDerWaalsContact O-CA 3.23Å; K464-A556 WeakPolarHBondContact O-CA 3.18Å; K464-A556 WeakPolarHBondContact O-CB 3.32Å; L471-A556 HydrophobicContact CD1-CB 3.53Å; C553-A556 HydrophobicContact CB-CB 4.44Å; C553-A556 WeakPolarHBondContact O-CB 3.38Å; C553-A556 PolarHBondContact O-N 2.8Å; M554-A556 PolarHBondContact O-N 2.82Å; A556-S562 CarbonylContact O-C 3.57Å; A556-S562 VanDerWaalsContact O-CA 3.28Å; A556-S562 WeakPolarHBondContact O-CA 3.37Å; A556-H563 HydrophobicContact CB-CB 4.15Å; A556-H563 PolarHBondContact O-N 3.05Å
557	Q	98.4	Very high	98.4	Very high	90 Å²	90	21.8 Å²	21.8	42%	0.421	12%	0.119	S	C	.	.	B	Isolated β-bridge	trans	-101.7	129.5	-171.6	-59.7	-60.9	-58.6	0	0	111.1	K464 S555	K464-Q557 HydrophobicContact CB-CB 4.47Å; K464-Q557 PolarHBondContact N-O 2.98Å; K464-Q557 VanDerWaalsContact N-O 3.11Å; K464-Q557 PolarHBondContact O-N 3.4Å; S555-Q557 PolarHBondContact O-NE2 3.16Å
558	Q	98.6	Very high	98.4	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.061	12%	0.119	C	C	.	.			trans	-118.7	162.3	168	-72.7	177.9	104.8	0	0	108.7	I463 D484 L560 S561 H563 L566	I463-Q558 HydrophobicContact CD1-CG 3.79Å; I463-Q558 HydrophobicContact CG1-CG 3.77Å; I463-Q558 HydrophobicContact CG2-CG 4.36Å; D484-Q558 HydrophobicContact CB-CG 4.23Å; D484-Q558 WeakPolarHBondContact OD1-CB 3.29Å; D484-Q558 WeakPolarHBondContact OD2-CA 3.06Å; Q558-L560 PolarHBondContact O-N 3.32Å; Q558-L560 VanDerWaalsContact O-N 3.1Å; Q558-S561 CarbonylContact C-O 3.55Å; Q558-S561 WeakPolarHBondContact CA-O 3.38Å; Q558-S561 WeakPolarHBondContact CB-O 3.4Å; Q558-S561 PolarHBondContact N-O 2.97Å; Q558-S561 PolarHBondContact O-N 3.39Å; Q558-S561 VanDerWaalsContact O-N 3.16Å; Q558-H563 PolarHBondContact NE2-ND1 3.33Å; Q558-L566 HydrophobicContact CB-CD1 3.74Å
559	Q	97.2	Very high	98.4	Very high	125 Å²	125	21.8 Å²	21.8	58%	0.584	12%	0.119	S	C	*	.	S	Bend	trans	-56.3	-31.4	-172.7	-176.8	63.4	36.7	0	0	113.6	D484 T486 N487	D484-Q559 WeakPolarHBondContact OD2-CB 3.29Å; D484-Q559 PolarHBondContact OD2-N 2.83Å; T486-Q559 PolarHBondContact OG1-N 3.06Å; N487-Q559 HydrophobicContact CB-CB 3.93Å; N487-Q559 HydrophobicContact CB-CG 4.35Å
560	L	97.3	Very high	98.5	Very high	99 Å²	99	20.7 Å²	20.7	52%	0.518	11%	0.111	S	C	.	.	S	Bend	trans	-93.3	-29.6	178.1	-64.8	-178.4	0	0	0	114.4	P187 T486 Q558 L566	P187-L560 HydrophobicContact CG-CD1 4.08Å; T486-L560 HydrophobicContact CG2-CD1 4.23Å; T486-L560 PolarHBondContact OG1-N 3.09Å; Q558-L560 PolarHBondContact O-N 3.32Å; Q558-L560 VanDerWaalsContact O-N 3.1Å; L560-L566 HydrophobicContact CB-CD1 4.11Å; L560-L566 HydrophobicContact CB-CD2 4.43Å
561	S	98.3	Very high	98.6	Very high	26 Å²	26	19.8 Å²	19.8	18%	0.182	10%	0.102	C	C	.	.	S	Bend	trans	-176	-179.5	-173.6	-146.3	0	0	0	0	112.7	Q558 N565 L566	Q558-S561 CarbonylContact C-O 3.55Å; Q558-S561 WeakPolarHBondContact CA-O 3.38Å; Q558-S561 WeakPolarHBondContact CB-O 3.4Å; Q558-S561 PolarHBondContact N-O 2.97Å; Q558-S561 PolarHBondContact O-N 3.39Å; Q558-S561 VanDerWaalsContact O-N 3.16Å; S561-N565 PolarHBondContact OG-ND2 3.4Å; S561-L566 WeakPolarHBondContact O-CD1 3.41Å
562	S	98.4	Very high	98.6	Very high	14 Å²	14	21 Å²	21	10%	0.098	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-66.8	151.1	165.2	52.3	0	0	0	0	112.4	A556 Y564 N565 L566	A556-S562 CarbonylContact O-C 3.57Å; A556-S562 VanDerWaalsContact O-CA 3.28Å; A556-S562 WeakPolarHBondContact O-CA 3.37Å; S562-Y564 PolarHBondContact O-N 2.88Å; S562-N565 PolarHBondContact O-N 3.01Å; S562-N565 PolarHBondContact OG-ND2 2.83Å; S562-L566 PolarHBondContact O-N 3.49Å
563	H	98.8	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.3	-32.1	177.6	-166.6	68.7	0	0	0	112.8	I552 M554 A556 Q558 N565 L566 H567	I552-H563 VanDerWaalsContact CG1-CD2 3.43Å; I552-H563 WeakPolarHBondContact CG1-CD2 3.47Å; I552-H563 VanDerWaalsContact CG1-NE2 3.35Å; I552-H563 WeakPolarHBondContact CG1-NE2 3.47Å; M554-H563 PolarHBondContact O-N 2.98Å; A556-H563 HydrophobicContact CB-CB 4.15Å; A556-H563 PolarHBondContact O-N 3.05Å; Q558-H563 PolarHBondContact NE2-ND1 3.33Å; H563-N565 PolarHBondContact O-N 2.92Å; H563-L566 PolarHBondContact O-N 3.4Å; H563-H567 AromaticContact CD2-ND1 3.83Å; H563-H567 AromaticContact CE1-ND1 3.69Å; H563-H567 AromaticContact NE2-CG 3.64Å; H563-H567 AromaticContact NE2-ND1 2.95Å; H563-H567 PolarHBondContact NE2-ND1 3.46Å; H563-H567 VanDerWaalsContact O-CB 3.25Å; H563-H567 WeakPolarHBondContact O-CB 3.33Å; H563-H567 PolarHBondContact O-N 3.06Å
564	Y	98.9	Very high	98.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-46.3	-32.9	169.7	-174.2	-92.2	0	0	0	115.3	Q239 N311 T328 L533 P536 L547 M554 S562	Q239-Y564 PolarHBondContact NE2-OH 3.11Å; N311-Y564 WeakPolarHBondContact ND2-CD1 3.27Å; N311-Y564 PolarHBondContact ND2-O 3.18Å; T328-Y564 WeakPolarHBondContact CB-OH 3.4Å; T328-Y564 WeakPolarHBondContact O-CE1 3.49Å; T328-Y564 PolarHBondContact O-OH 3.3Å; L533-Y564 HydrophobicContact CB-CD2 4.2Å; L533-Y564 HydrophobicContact CD2-CD1 4.03Å; L533-Y564 HydrophobicContact CD2-CD2 4.07Å; L533-Y564 HydrophobicContact CD2-CE1 4.31Å; L533-Y564 HydrophobicContact CD2-CE2 4.31Å; L533-Y564 HydrophobicContact CD2-CG 3.89Å; L533-Y564 WeakPolarHBondContact O-CD2 3.49Å; P536-Y564 HydrophobicContact CB-CE2 4.2Å; P536-Y564 HydrophobicContact CG-CE2 4.39Å; L547-Y564 HydrophobicContact CD1-CD2 3.94Å; L547-Y564 HydrophobicContact CD1-CE2 3.68Å; M554-Y564 HydrophobicContact CB-CD2 4.04Å; M554-Y564 HydrophobicContact CG-CD2 4.26Å; M554-Y564 PolarHBondContact O-N 3.48Å; M554-Y564 HydrophobicContact SD-CD2 4.41Å; S562-Y564 PolarHBondContact O-N 2.88Å
565	N	98.9	Very high	98.6	Very high	20 Å²	20	21.9 Å²	21.9	11%	0.107	11%	0.114	C	C	.	.	H	α-helix	trans	-94.3	-29.4	178.9	-68	-35.9	0	0	0	112.8	Y184 S310 N311 S561 S562 H563	Y184-N565 HydrophobicContact CD1-CB 3.61Å; Y184-N565 HydrophobicContact CD2-CB 3.83Å; Y184-N565 HydrophobicContact CE1-CB 3.76Å; Y184-N565 WeakPolarHBondContact CE1-O 3.29Å; Y184-N565 HydrophobicContact CE2-CB 3.99Å; Y184-N565 HydrophobicContact CG-CB 3.64Å; Y184-N565 PolarHBondContact OH-O 2.88Å; S310-N565 PolarHBondContact OG-O 3.39Å; N311-N565 PolarHBondContact ND2-OD1 3.29Å; S561-N565 PolarHBondContact OG-ND2 3.4Å; S562-N565 PolarHBondContact O-N 3.01Å; S562-N565 PolarHBondContact OG-ND2 2.83Å; H563-N565 PolarHBondContact O-N 2.92Å
566	L	98.8	Very high	98.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-108.5	-6.5	-166	-67.1	172.5	0	0	0	114	Y184 T486 Q558 L560 S561 S562 H563 N568 L569 Y570	Y184-L566 HydrophobicContact CE2-CD2 3.85Å; T486-L566 HydrophobicContact CG2-CD1 4.2Å; Q558-L566 HydrophobicContact CB-CD1 3.74Å; L560-L566 HydrophobicContact CB-CD1 4.11Å; L560-L566 HydrophobicContact CB-CD2 4.43Å; S561-L566 WeakPolarHBondContact O-CD1 3.41Å; S562-L566 PolarHBondContact O-N 3.49Å; H563-L566 PolarHBondContact O-N 3.4Å; L566-N568 PolarHBondContact O-N 2.92Å; L566-L569 HydrophobicContact CD2-CD1 3.9Å; L566-L569 WeakPolarHBondContact O-CA 3.39Å; L566-L569 WeakPolarHBondContact O-CB 3.46Å; L566-L569 PolarHBondContact O-N 2.79Å; L566-Y570 PolarHBondContact O-N 2.77Å
567	H	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-53.5	-54.2	-176.1	171.4	81.8	0	0	0	111.9	W274 N275 E516 T551 H563 L569 Y570	W274-H567 AromaticContact CD2-CD2 3.42Å; W274-H567 VanDerWaalsContact CD2-CD2 3.42Å; W274-H567 AromaticContact CD2-NE2 3.76Å; W274-H567 AromaticContact CE2-CD2 3.28Å; W274-H567 AromaticContact CE2-CG 3.9Å; W274-H567 AromaticContact CE2-NE2 3.44Å; W274-H567 AromaticContact CE3-CD2 3.47Å; W274-H567 VanDerWaalsContact CE3-CD2 3.47Å; W274-H567 HydrophobicContact CH2-CB 3.31Å; W274-H567 AromaticContact CH2-CD2 3.41Å; W274-H567 VanDerWaalsContact CH2-CD2 3.41Å; W274-H567 WeakPolarHBondContact CH2-CD2 3.12Å; W274-H567 AromaticContact CH2-CG 3.39Å; W274-H567 HydrophobicContact CZ2-CB 3.86Å; W274-H567 AromaticContact CZ2-CD2 3.29Å; W274-H567 WeakPolarHBondContact CZ2-CD2 3.41Å; W274-H567 AromaticContact CZ2-CG 3.4Å; W274-H567 VanDerWaalsContact CZ2-CG 3.4Å; W274-H567 AromaticContact CZ2-ND1 3.91Å; W274-H567 AromaticContact CZ2-NE2 3.75Å; W274-H567 HydrophobicContact CZ3-CB 3.7Å; W274-H567 AromaticContact CZ3-CD2 3.48Å; W274-H567 VanDerWaalsContact CZ3-CD2 3.48Å; W274-H567 WeakPolarHBondContact CZ3-CD2 3.49Å; W274-H567 AromaticContact CZ3-CG 3.83Å; W274-H567 AromaticContact NE1-CD2 3.96Å; W274-H567 AromaticContact NE1-NE2 3.61Å; N275-H567 PolarHBondContact O-CE1 2.81Å; N275-H567 PolarHBondContact O-NE2 3.07Å; E516-H567 PolarHBondContact O-CE1 3.32Å; T551-H567 PolarHBondContact OG1-CE1 2.89Å; T551-H567 VanDerWaalsContact OG1-CE1 3.28Å; T551-H567 PolarHBondContact OG1-ND1 3.19Å; H563-H567 AromaticContact CD2-ND1 3.83Å; H563-H567 AromaticContact CE1-ND1 3.69Å; H563-H567 AromaticContact NE2-CG 3.64Å; H563-H567 AromaticContact NE2-ND1 2.95Å; H563-H567 PolarHBondContact NE2-ND1 3.46Å; H563-H567 VanDerWaalsContact O-CB 3.25Å; H563-H567 WeakPolarHBondContact O-CB 3.33Å; H563-H567 PolarHBondContact O-N 3.06Å; H567-L569 PolarHBondContact O-N 3.36Å; H567-Y570 WeakPolarHBondContact O-CB 3.4Å; H567-Y570 PolarHBondContact O-N 2.97Å
568	N	98.9	Very high	98.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-62.1	-10	177.7	-71.7	-16.7	0	0	0	114.1	L273 W274 N275 S289 S310 N311 L566 F598	L273-N568 PolarHBondContact O-ND2 3.45Å; W274-N568 WeakPolarHBondContact CA-OD1 3.03Å; N275-N568 PolarHBondContact N-OD1 2.88Å; N275-N568 WeakPolarHBondContact ND2-CA 3.39Å; N275-N568 PolarHBondContact ND2-O 3.22Å; N275-N568 VanDerWaalsContact ND2-O 3.09Å; N275-N568 PolarHBondContact OD1-OD1 3Å; S289-N568 PolarHBondContact OG-ND2 2.91Å; S289-N568 PolarHBondContact OG-OD1 2.91Å; S310-N568 WeakPolarHBondContact O-CB 3.43Å; S310-N568 PolarHBondContact O-ND2 3.37Å; N311-N568 PolarHBondContact O-ND2 2.64Å; N311-N568 VanDerWaalsContact O-ND2 3.1Å; L566-N568 PolarHBondContact O-N 2.92Å; N568-F598 HydrophobicContact CB-CD2 4.07Å; N568-F598 HydrophobicContact CB-CE2 4.32Å; N568-F598 WeakPolarHBondContact O-CB 3.33Å
569	L	98.8	Very high	98.6	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-96.6	-6.8	176.6	-54.6	-173.9	0	0	0	113.8	Y184 V186 P187 L566 H567 G571 L572 T573 F598	Y184-L569 WeakPolarHBondContact OH-CD1 3.43Å; V186-L569 HydrophobicContact CG1-CD1 4.18Å; V186-L569 HydrophobicContact CG1-CD2 4.21Å; P187-L569 HydrophobicContact CG-CD1 4.42Å; L566-L569 HydrophobicContact CD2-CD1 3.9Å; L566-L569 WeakPolarHBondContact O-CA 3.39Å; L566-L569 WeakPolarHBondContact O-CB 3.46Å; L566-L569 PolarHBondContact O-N 2.79Å; H567-L569 PolarHBondContact O-N 3.36Å; L569-G571 PolarHBondContact O-N 2.93Å; L569-L572 HydrophobicContact CD2-CD2 4.42Å; L569-L572 WeakPolarHBondContact O-CB 3.3Å; L569-L572 PolarHBondContact O-N 3.43Å; L569-L572 VanDerWaalsContact O-N 3.16Å; L569-T573 HydrophobicContact CB-CG2 4.39Å; L569-T573 WeakPolarHBondContact O-CG2 2.96Å; L569-T573 PolarHBondContact O-N 3.41Å; L569-T573 PolarHBondContact O-OG1 2.84Å; L569-F598 HydrophobicContact CD2-CB 4.26Å; L569-F598 HydrophobicContact CD2-CD1 3.33Å; L569-F598 HydrophobicContact CD2-CD2 3.85Å; L569-F598 HydrophobicContact CD2-CE1 3.55Å; L569-F598 HydrophobicContact CD2-CE2 4.04Å; L569-F598 HydrophobicContact CD2-CG 3.51Å; L569-F598 HydrophobicContact CD2-CZ 3.9Å
570	Y	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.3	-58.4	-169.4	-165.9	-92.6	0	0	0	112.1	P439 I463 P483 F485 N515 P517 L566 H567 L572 T573 E574	P439-Y570 HydrophobicContact CB-CE1 3.81Å; P439-Y570 HydrophobicContact CG-CE1 3.96Å; I463-Y570 HydrophobicContact CD1-CD2 4.49Å; I463-Y570 HydrophobicContact CD1-CE2 3.89Å; P483-Y570 VanDerWaalsContact O-CE2 3.24Å; P483-Y570 WeakPolarHBondContact O-CE2 2.98Å; P483-Y570 PolarHBondContact O-OH 2.69Å; F485-Y570 HydrophobicContact CD2-CE1 4.12Å; F485-Y570 HydrophobicContact CD2-CE2 4.1Å; F485-Y570 AromaticContact CD2-CZ 3.78Å; F485-Y570 AromaticContact CE2-CE1 3.84Å; F485-Y570 HydrophobicContact CE2-CE1 3.84Å; F485-Y570 HydrophobicContact CE2-CE2 4.41Å; F485-Y570 AromaticContact CE2-CZ 3.65Å; F485-Y570 WeakPolarHBondContact CE2-OH 3.43Å; N515-Y570 HydrophobicContact CB-CD1 4.36Å; N515-Y570 WeakPolarHBondContact O-CD1 3.5Å; P517-Y570 HydrophobicContact CB-CD1 3.78Å; P517-Y570 HydrophobicContact CB-CE1 3.78Å; P517-Y570 HydrophobicContact CB-CG 4.19Å; P517-Y570 HydrophobicContact CG-CD1 4.18Å; P517-Y570 HydrophobicContact CG-CD2 4.19Å; P517-Y570 HydrophobicContact CG-CE1 4.39Å; P517-Y570 HydrophobicContact CG-CE2 4.42Å; P517-Y570 HydrophobicContact CG-CG 4.06Å; L566-Y570 PolarHBondContact O-N 2.77Å; H567-Y570 WeakPolarHBondContact O-CB 3.4Å; H567-Y570 PolarHBondContact O-N 2.97Å; Y570-L572 VanDerWaalsContact C-N 3.3Å; Y570-L572 PolarHBondContact O-N 2.95Å; Y570-T573 PolarHBondContact O-N 3.27Å; Y570-T573 PolarHBondContact O-OG1 2.94Å; Y570-E574 PolarHBondContact O-N 3.45Å
571	G	98.8	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.4	-33.9	176.2	0	0	0	0	0	114.2	N515 L569 A575	N515-G571 WeakPolarHBondContact O-CA 3.16Å; N515-G571 PolarHBondContact O-N 2.79Å; N515-G571 VanDerWaalsContact O-N 3.08Å; L569-G571 PolarHBondContact O-N 2.93Å; G571-A575 WeakPolarHBondContact O-CB 3.44Å; G571-A575 PolarHBondContact O-N 3.11Å
572	L	98.8	Very high	98.7	Very high	27 Å²	27	12 Å²	12	14%	0.141	6%	0.061	C	C	.	.	H	α-helix	trans	-64.7	-43.6	173.2	172.2	63.5	0	0	0	111.6	L569 Y570 A575 Y576 F598 I601 F604	L569-L572 HydrophobicContact CD2-CD2 4.42Å; L569-L572 WeakPolarHBondContact O-CB 3.3Å; L569-L572 PolarHBondContact O-N 3.43Å; L569-L572 VanDerWaalsContact O-N 3.16Å; Y570-L572 VanDerWaalsContact C-N 3.3Å; Y570-L572 PolarHBondContact O-N 2.95Å; L572-A575 PolarHBondContact O-N 2.88Å; L572-Y576 WeakPolarHBondContact O-CB 3.32Å; L572-Y576 PolarHBondContact O-N 3.15Å; L572-F598 HydrophobicContact CB-CB 4.1Å; L572-F598 HydrophobicContact CD2-CB 4.06Å; L572-F598 HydrophobicContact CD2-CD1 3.96Å; L572-F598 HydrophobicContact CD2-CG 4.44Å; L572-I601 HydrophobicContact CD1-CB 3.85Å; L572-I601 HydrophobicContact CD1-CG1 4.27Å; L572-F604 HydrophobicContact CD1-CD2 4.03Å; L572-F604 HydrophobicContact CD1-CE2 4.24Å
573	T	98.8	Very high	98.7	Very high	25 Å²	25	14.1 Å²	14.1	15%	0.153	7%	0.071	C	C	.	.	H	α-helix	trans	-72.1	-34.2	-179.4	56.9	0	0	0	0	112.7	T486 L569 Y570 A577	T486-T573 HydrophobicContact CG2-CG2 4.3Å; L569-T573 HydrophobicContact CB-CG2 4.39Å; L569-T573 WeakPolarHBondContact O-CG2 2.96Å; L569-T573 PolarHBondContact O-N 3.41Å; L569-T573 PolarHBondContact O-OG1 2.84Å; Y570-T573 PolarHBondContact O-N 3.27Å; Y570-T573 PolarHBondContact O-OG1 2.94Å; T573-A577 WeakPolarHBondContact O-CB 3.37Å; T573-A577 PolarHBondContact O-N 2.94Å
574	E	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.7	-44.7	169.8	-174.7	-179.1	-134.3	0	0	111.9	P439 F485 W494 I512 N515 Y570 Y576 A577 T578	P439-E574 WeakPolarHBondContact CB-OE1 3.18Å; F485-E574 HydrophobicContact CD2-CB 3.63Å; F485-E574 HydrophobicContact CD2-CG 4.16Å; F485-E574 HydrophobicContact CE1-CG 4.15Å; F485-E574 HydrophobicContact CE2-CB 3.57Å; F485-E574 HydrophobicContact CE2-CG 3.61Å; F485-E574 HydrophobicContact CG-CB 4.14Å; F485-E574 HydrophobicContact CZ-CB 4.04Å; F485-E574 HydrophobicContact CZ-CG 3.6Å; W494-E574 HydrophobicContact CZ2-CG 4.48Å; I512-E574 HydrophobicContact CD1-CB 4.3Å; I512-E574 HydrophobicContact CD1-CG 3.89Å; I512-E574 HydrophobicContact CG2-CG 4.42Å; N515-E574 WeakPolarHBondContact CB-OE2 2.97Å; N515-E574 PolarHBondContact ND2-OE2 3.04Å; Y570-E574 PolarHBondContact O-N 3.45Å; E574-Y576 VanDerWaalsContact C-N 3.31Å; E574-Y576 PolarHBondContact O-N 3.33Å; E574-A577 PolarHBondContact O-N 2.74Å; E574-T578 VanDerWaalsContact O-CB 3.32Å; E574-T578 WeakPolarHBondContact O-CB 3.44Å; E574-T578 PolarHBondContact O-N 3.19Å; E574-T578 PolarHBondContact O-OG1 3Å
575	A	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.6	-45.3	176.3	0	0	0	0	0	111	I512 G571 L572 T578 H579 I601 F604	I512-A575 HydrophobicContact CD1-CB 3.92Å; G571-A575 WeakPolarHBondContact O-CB 3.44Å; G571-A575 PolarHBondContact O-N 3.11Å; L572-A575 PolarHBondContact O-N 2.88Å; A575-T578 PolarHBondContact O-N 2.82Å; A575-H579 WeakPolarHBondContact O-CB 3.09Å; A575-H579 PolarHBondContact O-N 3.24Å; A575-I601 HydrophobicContact CB-CD1 4.11Å; A575-I601 HydrophobicContact CB-CG1 4.08Å; A575-F604 HydrophobicContact CB-CB 4.36Å
576	Y	98.5	Very high	98.4	Very high	99 Å²	99	21 Å²	21	39%	0.388	11%	0.106	S	C	.	.	H	α-helix	trans	-58.7	-50.3	172.9	171.5	-110.3	0	0	0	112.3	L572 E574 T578 H579 S580 F604	L572-Y576 WeakPolarHBondContact O-CB 3.32Å; L572-Y576 PolarHBondContact O-N 3.15Å; E574-Y576 VanDerWaalsContact C-N 3.31Å; E574-Y576 PolarHBondContact O-N 3.33Å; Y576-T578 PolarHBondContact O-N 3.35Å; Y576-H579 PolarHBondContact O-N 3.42Å; Y576-S580 WeakPolarHBondContact O-CB 3.45Å; Y576-S580 PolarHBondContact O-N 2.04Å; Y576-S580 PolarHBondContact O-OG 2.88Å; Y576-F604 HydrophobicContact CD2-CD1 4.06Å; Y576-F604 AromaticContact CD2-CE1 3.66Å; Y576-F604 HydrophobicContact CD2-CE1 3.66Å; Y576-F604 HydrophobicContact CD2-CE2 4.15Å; Y576-F604 HydrophobicContact CD2-CG 4.48Å; Y576-F604 AromaticContact CD2-CZ 3.7Å; Y576-F604 HydrophobicContact CD2-CZ 3.7Å; Y576-F604 HydrophobicContact CE2-CE1 4.26Å; Y576-F604 HydrophobicContact CE2-CZ 4.39Å
577	A	98.8	Very high	98.3	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.033	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-43.9	179.9	0	0	0	0	0	112.3	F485 R491 T573 E574 A581	F485-A577 HydrophobicContact CD1-CB 3.89Å; F485-A577 HydrophobicContact CE1-CB 4.5Å; R491-A577 HydrophobicContact CB-CB 4.33Å; R491-A577 HydrophobicContact CG-CB 3.85Å; T573-A577 WeakPolarHBondContact O-CB 3.37Å; T573-A577 PolarHBondContact O-N 2.94Å; E574-A577 PolarHBondContact O-N 2.74Å; A577-A581 VanDerWaalsContact O-CB 3.31Å; A577-A581 WeakPolarHBondContact O-CB 3.46Å; A577-A581 PolarHBondContact O-N 2.77Å
578	T	98.9	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.1	-43.2	-178.8	-53.4	0	0	0	0	111.8	W494 I498 L510 I512 E574 A575 Y576 A581 L582 V592	W494-T578 PolarHBondContact NE1-OG1 2.85Å; I498-T578 HydrophobicContact CD1-CG2 4.3Å; L510-T578 HydrophobicContact CB-CG2 4.01Å; L510-T578 HydrophobicContact CD1-CG2 3.62Å; L510-T578 HydrophobicContact CG-CG2 4.45Å; I512-T578 HydrophobicContact CG2-CG2 4.07Å; E574-T578 VanDerWaalsContact O-CB 3.32Å; E574-T578 WeakPolarHBondContact O-CB 3.44Å; E574-T578 PolarHBondContact O-N 3.19Å; E574-T578 PolarHBondContact O-OG1 3Å; A575-T578 PolarHBondContact O-N 2.82Å; Y576-T578 PolarHBondContact O-N 3.35Å; T578-A581 PolarHBondContact O-N 3.09Å; T578-L582 HydrophobicContact CG2-CD1 4.38Å; T578-L582 WeakPolarHBondContact O-CB 3.47Å; T578-L582 WeakPolarHBondContact O-CG 3.1Å; T578-L582 PolarHBondContact O-N 2.97Å; T578-V592 HydrophobicContact CG2-CG1 4.27Å; T578-V592 HydrophobicContact CG2-CG2 4.04Å
579	H	98.6	Very high	98.2	Very high	19 Å²	19	28.4 Å²	28.4	9%	0.088	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-47.2	175.1	173.5	-86.6	0	0	0	111.6	A575 Y576 M583 P590 V592 F604	A575-H579 WeakPolarHBondContact O-CB 3.09Å; A575-H579 PolarHBondContact O-N 3.24Å; Y576-H579 PolarHBondContact O-N 3.42Å; H579-M583 WeakPolarHBondContact CE1-CE 3.44Å; H579-M583 WeakPolarHBondContact O-CB 3.34Å; H579-M583 PolarHBondContact O-N 2.91Å; H579-P590 HydrophobicContact CB-CG 4.49Å; H579-P590 WeakPolarHBondContact CD2-CG 3.47Å; H579-P590 WeakPolarHBondContact NE2-CG 3.5Å; H579-V592 HydrophobicContact CB-CG2 4.09Å; H579-F604 HydrophobicContact CB-CB 3.92Å; H579-F604 WeakPolarHBondContact CB-O 3.47Å; H579-F604 VanDerWaalsContact CD2-CA 3.49Å; H579-F604 WeakPolarHBondContact CD2-CA 3.31Å; H579-F604 PolarHBondContact CD2-O 3.08Å; H579-F604 AromaticContact ND1-CD1 3.78Å
580	S	98.3	Very high	98.1	Very high	31 Å²	31	28.3 Å²	28.3	22%	0.217	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.2	-80	0	0	0	0	112.4	Y576 M583 N584	Y576-S580 WeakPolarHBondContact O-CB 3.45Å; Y576-S580 PolarHBondContact O-N 2.04Å; Y576-S580 PolarHBondContact O-OG 2.88Å; S580-M583 PolarHBondContact O-N 2.83Å; S580-N584 WeakPolarHBondContact O-CB 3.49Å; S580-N584 VanDerWaalsContact O-CG 3.23Å; S580-N584 PolarHBondContact O-N 3.49Å; S580-N584 PolarHBondContact O-ND2 3.02Å
581	A	98.7	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-51.2	177.2	0	0	0	0	0	112.2	E495 I498 A577 T578 M583 N584 I585	E495-A581 HydrophobicContact CB-CB 3.79Å; E495-A581 HydrophobicContact CG-CB 3.85Å; I498-A581 HydrophobicContact CD1-CB 3.69Å; A577-A581 VanDerWaalsContact O-CB 3.31Å; A577-A581 WeakPolarHBondContact O-CB 3.46Å; A577-A581 PolarHBondContact O-N 2.77Å; T578-A581 PolarHBondContact O-N 3.09Å; A581-M583 VanDerWaalsContact C-N 3.34Å; A581-M583 PolarHBondContact O-N 2.94Å; A581-N584 PolarHBondContact O-N 3.37Å; A581-I585 HydrophobicContact CB-CD1 4.4Å; A581-I585 WeakPolarHBondContact O-CB 3.43Å; A581-I585 WeakPolarHBondContact O-CD1 3.47Å; A581-I585 WeakPolarHBondContact O-CG1 3.5Å; A581-I585 PolarHBondContact O-N 2.81Å
582	L	98.4	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-42.9	178.2	-74.8	176	0	0	0	111.8	I498 L510 T578 N584 I585 Q586 P590 F591 V592	I498-L582 HydrophobicContact CG2-CD2 4.28Å; L510-L582 HydrophobicContact CB-CD1 4.24Å; L510-L582 HydrophobicContact CD1-CD1 4.08Å; L510-L582 HydrophobicContact CD1-CD2 3.91Å; L510-L582 HydrophobicContact CD1-CG 4.04Å; L510-L582 HydrophobicContact CG-CD1 4.14Å; L510-L582 HydrophobicContact CG-CD2 4.21Å; T578-L582 HydrophobicContact CG2-CD1 4.38Å; T578-L582 WeakPolarHBondContact O-CB 3.47Å; T578-L582 WeakPolarHBondContact O-CG 3.1Å; T578-L582 PolarHBondContact O-N 2.97Å; L582-N584 PolarHBondContact O-N 3.28Å; L582-I585 PolarHBondContact O-N 3.18Å; L582-Q586 WeakPolarHBondContact O-CB 3.49Å; L582-Q586 PolarHBondContact O-N 3.44Å; L582-P590 HydrophobicContact CB-CB 3.55Å; L582-P590 HydrophobicContact CD1-CB 4.09Å; L582-F591 WeakPolarHBondContact CD1-O 3.32Å; L582-V592 HydrophobicContact CD1-CG2 3.97Å
583	M	97.4	Very high	98.1	Very high	59 Å²	59	27 Å²	27	29%	0.291	15%	0.145	S	C	.	.	H	α-helix	trans	-57.7	-46.4	174.8	-172.6	-171.1	-52.4	0	0	112	H579 S580 A581 G587 L843	H579-M583 WeakPolarHBondContact CE1-CE 3.44Å; H579-M583 WeakPolarHBondContact O-CB 3.34Å; H579-M583 PolarHBondContact O-N 2.91Å; S580-M583 PolarHBondContact O-N 2.83Å; A581-M583 VanDerWaalsContact C-N 3.34Å; A581-M583 PolarHBondContact O-N 2.94Å; M583-G587 WeakPolarHBondContact O-CA 3.43Å; M583-G587 PolarHBondContact O-N 3.15Å; M583-L843 HydrophobicContact CG-CD1 3.58Å; M583-L843 HydrophobicContact CG-CD2 3.9Å; M583-L843 HydrophobicContact CG-CG 4.4Å; M583-L843 HydrophobicContact SD-CD1 4.35Å; M583-L843 HydrophobicContact SD-CD2 4.37Å
584	N	97.6	Very high	98.1	Very high	99 Å²	99	25.9 Å²	25.9	53%	0.529	14%	0.138	S	C	.	.	H	α-helix	trans	-70.3	-29.8	-179.5	-72.8	-15.7	0	0	0	113.4	E495 S580 A581 L582	E495-N584 PolarHBondContact OE2-ND2 3.5Å; S580-N584 WeakPolarHBondContact O-CB 3.49Å; S580-N584 VanDerWaalsContact O-CG 3.23Å; S580-N584 PolarHBondContact O-N 3.49Å; S580-N584 PolarHBondContact O-ND2 3.02Å; A581-N584 PolarHBondContact O-N 3.37Å; L582-N584 PolarHBondContact O-N 3.28Å
585	I	97.6	Very high	98.1	Very high	29 Å²	29	26 Å²	26	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-86.2	-43.7	-177.7	-67.7	162.4	0	0	0	111.5	E495 I498 R499 F502 A581 L582	E495-I585 HydrophobicContact CG-CD1 4.11Å; E495-I585 HydrophobicContact CG-CG1 4.35Å; I498-I585 HydrophobicContact CB-CD1 3.96Å; I498-I585 HydrophobicContact CG2-CD1 3.61Å; R499-I585 HydrophobicContact CB-CD1 3.77Å; R499-I585 HydrophobicContact CB-CG1 4.07Å; R499-I585 HydrophobicContact CG-CG1 4.34Å; F502-I585 HydrophobicContact CB-CG2 4.27Å; F502-I585 HydrophobicContact CD1-CG2 3.55Å; F502-I585 HydrophobicContact CD2-CG2 4.47Å; F502-I585 HydrophobicContact CE1-CG2 3.96Å; F502-I585 HydrophobicContact CG-CG2 3.84Å; A581-I585 HydrophobicContact CB-CD1 4.4Å; A581-I585 WeakPolarHBondContact O-CB 3.43Å; A581-I585 WeakPolarHBondContact O-CD1 3.47Å; A581-I585 WeakPolarHBondContact O-CG1 3.5Å; A581-I585 PolarHBondContact O-N 2.81Å; L582-I585 PolarHBondContact O-N 3.18Å
586	Q	96.3	Very high	98.1	Very high	40 Å²	40	26 Å²	26	19%	0.187	14%	0.139	C	C	.	.	H	α-helix	trans	-93.3	-24.2	-174	-61.9	176.3	-22	0	0	113.4	F502 V507 D508 L582 K588	F502-Q586 HydrophobicContact CE2-CG 4.02Å; F502-Q586 HydrophobicContact CZ-CG 4.1Å; V507-Q586 PolarHBondContact O-NE2 2.85Å; D508-Q586 PolarHBondContact O-NE2 3.16Å; L582-Q586 WeakPolarHBondContact O-CB 3.49Å; L582-Q586 PolarHBondContact O-N 3.44Å; Q586-K588 HydrophobicContact CB-CB 4.25Å; Q586-K588 PolarHBondContact O-N 3.19Å
587	G	96.2	Very high	98.1	Very high	51 Å²	51	21.3 Å²	21.3	53%	0.526	12%	0.12	S	C	.	.	S	Bend	trans	67.1	19.5	-173.6	0	0	0	0	0	114.1	M583	M583-G587 WeakPolarHBondContact O-CA 3.43Å; M583-G587 PolarHBondContact O-N 3.15Å
588	K	96.8	Very high	98.1	Very high	96 Å²	96	21.2 Å²	21.2	42%	0.417	12%	0.119	S	C	.	.	B	Isolated β-bridge	trans	-133.8	171.4	-170.9	-72.8	172.7	160.9	-145.4	0	110.4	Q586 P590 D841 L843	Q586-K588 HydrophobicContact CB-CB 4.25Å; Q586-K588 PolarHBondContact O-N 3.19Å; K588-P590 WeakPolarHBondContact O-CD 3.49Å; K588-D841 VanDerWaalsContact CD-OD2 3.3Å; K588-D841 WeakPolarHBondContact CD-OD2 3.47Å; K588-D841 VanDerWaalsContact CE-OD2 3.26Å; K588-D841 WeakPolarHBondContact CE-OD2 3.37Å; K588-D841 IonicContact NZ-OD2 3.26Å; K588-D841 PolarHBondContact NZ-OD2 3.17Å; K588-L843 WeakPolarHBondContact O-CD2 3.24Å
589	R	98	Very high	98.1	Very high	11 Å²	11	21.3 Å²	21.3	4%	0.042	12%	0.12	C	C	.	.			trans	-60.2	119.1	172.8	-71.1	175	-164.4	176.1	12.8	109.9	M358 P359 P360 Y705 D838 D841 S842 L843 T845	M358-R589 WeakPolarHBondContact O-CD 3.28Å; P359-R589 PolarHBondContact O-NH1 3.47Å; P360-R589 HydrophobicContact CB-CB 4.14Å; P360-R589 HydrophobicContact CG-CB 4.42Å; R589-Y705 PolarHBondContact NH1-OH 2.92Å; R589-D838 IonicContact CZ-OD2 2.75Å; R589-D838 IonicContact NH2-OD1 3.87Å; R589-D838 IonicContact NH2-OD2 3Å; R589-D838 PolarHBondContact NH2-OD2 2.85Å; R589-D841 WeakPolarHBondContact CG-O 3.12Å; R589-D841 PolarHBondContact N-O 2.78Å; R589-S842 PolarHBondContact NE-O 3.33Å; R589-S842 PolarHBondContact NH2-O 2.89Å; R589-L843 HydrophobicContact CG-CD2 4.35Å; R589-T845 PolarHBondContact NH2-OG1 2.87Å
590	P	97.8	Very high	98.1	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.032	12%	0.119	C	C	.	.			trans	-69.8	148.3	175.4	32.4	-37.2	0	0	0	109.9	H579 L582 K588	H579-P590 HydrophobicContact CB-CG 4.49Å; H579-P590 WeakPolarHBondContact CD2-CG 3.47Å; H579-P590 WeakPolarHBondContact NE2-CG 3.5Å; L582-P590 HydrophobicContact CB-CB 3.55Å; L582-P590 HydrophobicContact CD1-CB 4.09Å; K588-P590 WeakPolarHBondContact O-CD 3.49Å
591	F	98.8	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.			trans	-109.4	117.4	160.4	179.2	-85.9	0	0	0	108.6	P360 W362 W397 I434 G509 L510 L582 L593 L636 F665	P360-F591 HydrophobicContact CG-CB 4.45Å; W362-F591 HydrophobicContact CH2-CB 3.46Å; W362-F591 VanDerWaalsContact CH2-CB 3.46Å; W362-F591 HydrophobicContact CH2-CD1 4.34Å; W362-F591 HydrophobicContact CH2-CD2 4.31Å; W362-F591 AromaticContact CH2-CG 3.78Å; W362-F591 HydrophobicContact CH2-CG 3.78Å; W362-F591 HydrophobicContact CZ2-CB 3.85Å; W362-F591 HydrophobicContact CZ3-CB 4.4Å; W362-F591 HydrophobicContact CZ3-CD2 4.49Å; W362-F591 HydrophobicContact CZ3-CG 4.29Å; W397-F591 AromaticContact CH2-CE1 3.86Å; W397-F591 HydrophobicContact CH2-CE1 3.86Å; W397-F591 HydrophobicContact CH2-CZ 4.26Å; W397-F591 AromaticContact CZ2-CE1 3.85Å; W397-F591 HydrophobicContact CZ2-CE1 3.85Å; W397-F591 HydrophobicContact CZ2-CZ 4.13Å; I434-F591 HydrophobicContact CD1-CD1 3.34Å; I434-F591 HydrophobicContact CD1-CE1 3.44Å; I434-F591 VanDerWaalsContact CD1-CE1 3.44Å; I434-F591 HydrophobicContact CD1-CG 4.22Å; I434-F591 HydrophobicContact CD1-CZ 4.38Å; G509-F591 VanDerWaalsContact CA-O 3.25Å; G509-F591 WeakPolarHBondContact CA-O 3.15Å; L510-F591 PolarHBondContact N-O 3.21Å; L582-F591 WeakPolarHBondContact CD1-O 3.32Å; F591-L593 HydrophobicContact CE1-CB 3.87Å; F591-L593 HydrophobicContact CZ-CB 4.07Å; F591-L593 HydrophobicContact CZ-CD1 4.41Å; F591-L636 HydrophobicContact CD2-CD2 4.35Å; F591-L636 HydrophobicContact CE2-CD2 3.92Å; F591-F665 HydrophobicContact CE2-CD2 4.5Å; F591-F665 HydrophobicContact CE2-CE2 4.33Å; F591-F665 HydrophobicContact CZ-CD2 4.31Å; F591-F665 AromaticContact CZ-CE2 3.76Å; F591-F665 HydrophobicContact CZ-CE2 3.76Å; F591-F665 HydrophobicContact CZ-CZ 4.41Å
592	V	98.9	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.1	169.4	-171.4	0	0	0	0	107.8	L510 I512 T578 H579 L582 S605 G606	L510-V592 WeakPolarHBondContact O-CA 3.16Å; I512-V592 HydrophobicContact CD1-CG1 3.68Å; I512-V592 HydrophobicContact CG1-CG1 3.88Å; T578-V592 HydrophobicContact CG2-CG1 4.27Å; T578-V592 HydrophobicContact CG2-CG2 4.04Å; H579-V592 HydrophobicContact CB-CG2 4.09Å; L582-V592 HydrophobicContact CD1-CG2 3.97Å; V592-S605 VanDerWaalsContact C-OG 3.27Å; V592-S605 WeakPolarHBondContact O-CA 3.45Å; V592-S605 PolarHBondContact O-OG 3.31Å; V592-S605 VanDerWaalsContact O-OG 3.06Å; V592-G606 PolarHBondContact O-N 3.13Å
593	L	98.9	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.8	169	-170.9	82.5	0	0	0	108.1	W397 L510 W511 I512 F591 S605 W608 F665	W397-L593 HydrophobicContact CH2-CB 4.23Å; W397-L593 HydrophobicContact CH2-CD2 3.65Å; W397-L593 HydrophobicContact CZ3-CD2 3.95Å; L510-L593 PolarHBondContact O-N 2.83Å; L510-L593 VanDerWaalsContact O-N 3.09Å; W511-L593 CarbonylContact C-O 3.58Å; W511-L593 WeakPolarHBondContact CA-O 3.34Å; I512-L593 WeakPolarHBondContact CG1-O 3.15Å; I512-L593 PolarHBondContact N-O 2.76Å; F591-L593 HydrophobicContact CE1-CB 3.87Å; F591-L593 HydrophobicContact CZ-CB 4.07Å; F591-L593 HydrophobicContact CZ-CD1 4.41Å; L593-S605 WeakPolarHBondContact CA-OG 3.26Å; L593-W608 HydrophobicContact CD2-CB 4.34Å; L593-W608 HydrophobicContact CD2-CD2 4.06Å; L593-W608 HydrophobicContact CD2-CE3 3.5Å; L593-W608 VanDerWaalsContact CD2-CE3 3.5Å; L593-W608 HydrophobicContact CD2-CG 4.42Å; L593-W608 HydrophobicContact CD2-CZ3 4.12Å; L593-W608 HydrophobicContact CG-CE3 3.67Å; L593-W608 HydrophobicContact CG-CZ3 4.19Å; L593-F665 HydrophobicContact CD1-CD1 3.89Å; L593-F665 HydrophobicContact CD1-CE1 3.67Å; L593-F665 HydrophobicContact CD1-CE2 4.37Å; L593-F665 HydrophobicContact CD1-CG 4.34Å; L593-F665 HydrophobicContact CD1-CZ 3.92Å; L593-F665 HydrophobicContact CD2-CE1 3.66Å; L593-F665 HydrophobicContact CD2-CZ 3.71Å; L593-F665 HydrophobicContact CG-CE1 4.34Å; L593-F665 HydrophobicContact CG-CZ 4.43Å
594	S	98.9	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.8	-175.5	-172.8	0	0	0	0	111.4	I512 N515 S596 S605 G606 V607 W608	I512-S594 WeakPolarHBondContact O-CA 3.38Å; N515-S594 PolarHBondContact ND2-OG 2.92Å; S594-S596 PolarHBondContact OG-O 2.78Å; S594-S605 WeakPolarHBondContact CB-OG 3.39Å; S594-S605 PolarHBondContact N-OG 2.88Å; S594-S605 VanDerWaalsContact N-OG 3.09Å; S594-G606 PolarHBondContact N-O 3.02Å; S594-V607 WeakPolarHBondContact O-CA 3.3Å; S594-W608 WeakPolarHBondContact O-CZ3 3.3Å
595	R	98.8	Very high	98.1	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.011	9%	0.089	C	C	.	.	S	Bend	trans	-80.8	-64.8	170.9	-154.2	166.9	59.7	-171.5	15.1	109.9	D277 Y287 I512 D513 M514 E516 W608	D277-R595 IonicContact OD1-NH2 2.68Å; D277-R595 PolarHBondContact OD1-NH2 2.81Å; D277-R595 IonicContact OD2-CZ 2.69Å; D277-R595 IonicContact OD2-NH2 2.75Å; D277-R595 PolarHBondContact OD2-NH2 3.11Å; Y287-R595 HydrophobicContact CD1-CG 3.67Å; Y287-R595 HydrophobicContact CD2-CG 4.23Å; Y287-R595 HydrophobicContact CE1-CG 4.12Å; Y287-R595 HydrophobicContact CG-CG 3.7Å; I512-R595 PolarHBondContact O-N 3.25Å; D513-R595 WeakPolarHBondContact OD1-CD 3.44Å; D513-R595 IonicContact OD1-CZ 2.76Å; D513-R595 IonicContact OD1-NE 3.07Å; D513-R595 PolarHBondContact OD1-NE 2.78Å; D513-R595 VanDerWaalsContact OD1-NE 3.14Å; D513-R595 IonicContact OD1-NH1 3.95Å; D513-R595 PolarHBondContact OD1-NH1 2.93Å; D513-R595 IonicContact OD2-NH1 3.79Å; M514-R595 PolarHBondContact SD-NH1 3.14Å; E516-R595 VanDerWaalsContact CD-NH2 3.34Å; E516-R595 IonicContact OE1-CZ 2.68Å; E516-R595 IonicContact OE1-NE 3.69Å; E516-R595 PolarHBondContact OE1-NE 2.88Å; E516-R595 IonicContact OE1-NH2 3.92Å; E516-R595 PolarHBondContact OE1-NH2 3.07Å; E516-R595 IonicContact OE2-CZ 3.91Å; E516-R595 IonicContact OE2-NE 2.72Å; E516-R595 IonicContact OE2-NH2 2.69Å; E516-R595 PolarHBondContact OE2-NH2 2.69Å; R595-W608 HydrophobicContact CB-CH2 3.34Å; R595-W608 HydrophobicContact CB-CZ2 3.91Å; R595-W608 HydrophobicContact CB-CZ3 3.79Å; R595-W608 HydrophobicContact CG-CH2 3.7Å; R595-W608 HydrophobicContact CG-CZ2 3.71Å; R595-W608 HydrophobicContact CG-CZ3 4.33Å
596	S	98.8	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-72.7	146.9	-178.6	-168.9	0	0	0	0	111.7	N275 Y287 N515 S594 I601	N275-S596 PolarHBondContact ND2-OG 3.03Å; Y287-S596 VanDerWaalsContact O-CA 3.29Å; Y287-S596 WeakPolarHBondContact O-CA 3.22Å; Y287-S596 WeakPolarHBondContact O-CB 3.33Å; Y287-S596 PolarHBondContact O-OG 3.28Å; N515-S596 VanDerWaalsContact O-CB 3.25Å; N515-S596 WeakPolarHBondContact O-CB 3.46Å; N515-S596 WeakPolarHBondContact OD1-CB 3.3Å; N515-S596 PolarHBondContact OD1-N 2.86Å; S594-S596 PolarHBondContact OG-O 2.78Å; S596-I601 VanDerWaalsContact O-CD1 3.24Å; S596-I601 WeakPolarHBondContact O-CD1 2.89Å
597	S	98.7	Very high	98.3	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-149.6	153.9	-171.3	65	0	0	0	0	114.4	N275 G288 S289 H290	N275-S597 PolarHBondContact ND2-O 3.01Å; G288-S597 CarbonylContact C-O 3.54Å; G288-S597 WeakPolarHBondContact CA-O 3.24Å; G288-S597 WeakPolarHBondContact CA-OG 3.48Å; S289-S597 PolarHBondContact N-O 2.8Å; H290-S597 PolarHBondContact NE2-OG 2.84Å
598	F	98.8	Very high	98.4	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.009	5%	0.048	C	C	.	.			trans	-148.8	156.9	174.5	-167.4	-95.2	0	0	0	108.7	V186 S289 N568 L569 L572 G600 I601	V186-F598 HydrophobicContact CG1-CE1 4.04Å; V186-F598 HydrophobicContact CG1-CZ 4.43Å; S289-F598 WeakPolarHBondContact O-CD2 3.38Å; N568-F598 HydrophobicContact CB-CD2 4.07Å; N568-F598 HydrophobicContact CB-CE2 4.32Å; N568-F598 WeakPolarHBondContact O-CB 3.33Å; L569-F598 HydrophobicContact CD2-CB 4.26Å; L569-F598 HydrophobicContact CD2-CD1 3.33Å; L569-F598 HydrophobicContact CD2-CD2 3.85Å; L569-F598 HydrophobicContact CD2-CE1 3.55Å; L569-F598 HydrophobicContact CD2-CE2 4.04Å; L569-F598 HydrophobicContact CD2-CG 3.51Å; L569-F598 HydrophobicContact CD2-CZ 3.9Å; L572-F598 HydrophobicContact CB-CB 4.1Å; L572-F598 HydrophobicContact CD2-CB 4.06Å; L572-F598 HydrophobicContact CD2-CD1 3.96Å; L572-F598 HydrophobicContact CD2-CG 4.44Å; F598-G600 PolarHBondContact O-N 2.87Å; F598-I601 WeakPolarHBondContact O-CB 3.31Å; F598-I601 WeakPolarHBondContact O-CG2 3.28Å; F598-I601 PolarHBondContact O-N 3.34Å; F598-I601 VanDerWaalsContact O-N 3.08Å
599	P	98.5	Very high	98.5	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.013	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.9	122.9	172.2	-38.3	37.3	0	0	0	114.2	S289 H290 F306 Y349 I353	S289-P599 WeakPolarHBondContact O-CD 3.21Å; H290-P599 HydrophobicContact CB-CG 4.49Å; H290-P599 WeakPolarHBondContact ND1-CD 3.45Å; F306-P599 HydrophobicContact CE2-CB 3.95Å; F306-P599 HydrophobicContact CE2-CG 3.76Å; F306-P599 HydrophobicContact CZ-CB 3.92Å; F306-P599 HydrophobicContact CZ-CG 4.24Å; Y349-P599 WeakPolarHBondContact OH-CB 3.43Å; Y349-P599 WeakPolarHBondContact OH-CG 3.38Å; I353-P599 HydrophobicContact CD1-CB 4.42Å; I353-P599 HydrophobicContact CG2-CB 4.09Å
600	G	97.3	Very high	98.4	Very high	7 Å²	7	5.7 Å²	5.7	7%	0.072	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	-12	-177.6	0	0	0	0	0	115.3	I353 F598 G602 R603	I353-G600 VanDerWaalsContact CD1-N 3.28Å; F598-G600 PolarHBondContact O-N 2.87Å; G600-G602 VanDerWaalsContact C-N 3.26Å; G600-G602 PolarHBondContact O-N 3.4Å; G600-R603 VanDerWaalsContact O-CB 3.31Å; G600-R603 WeakPolarHBondContact O-CB 3.37Å; G600-R603 WeakPolarHBondContact O-CD 3.12Å; G600-R603 VanDerWaalsContact O-CG 3.32Å; G600-R603 WeakPolarHBondContact O-CG 3.48Å; G600-R603 PolarHBondContact O-N 2.84Å; G600-R603 VanDerWaalsContact O-N 3.15Å
601	I	98.4	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-60.6	-29.2	-176.2	-167.3	164.2	0	0	0	114.7	L572 A575 S596 F598 R603 F604 S605 V634	L572-I601 HydrophobicContact CD1-CB 3.85Å; L572-I601 HydrophobicContact CD1-CG1 4.27Å; A575-I601 HydrophobicContact CB-CD1 4.11Å; A575-I601 HydrophobicContact CB-CG1 4.08Å; S596-I601 VanDerWaalsContact O-CD1 3.24Å; S596-I601 WeakPolarHBondContact O-CD1 2.89Å; F598-I601 WeakPolarHBondContact O-CB 3.31Å; F598-I601 WeakPolarHBondContact O-CG2 3.28Å; F598-I601 PolarHBondContact O-N 3.34Å; F598-I601 VanDerWaalsContact O-N 3.08Å; I601-R603 PolarHBondContact O-N 3.49Å; I601-F604 PolarHBondContact O-N 3.17Å; I601-S605 PolarHBondContact O-N 2.99Å; I601-V634 HydrophobicContact CG2-CG2 3.64Å
602	G	98.4	Very high	98.4	Very high	6 Å²	6	7 Å²	7	6%	0.062	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-60.6	-14.4	177.6	0	0	0	0	0	114.5	P356 M357 G600 F604	P356-G602 CarbonylContact C-O 3.55Å; P356-G602 WeakPolarHBondContact CA-O 3.36Å; M357-G602 PolarHBondContact N-O 3.25Å; G600-G602 VanDerWaalsContact C-N 3.26Å; G600-G602 PolarHBondContact O-N 3.4Å; G602-F604 VanDerWaalsContact C-N 3.26Å; G602-F604 PolarHBondContact O-N 3.27Å
603	R	97.6	Very high	98.4	Very high	65 Å²	65	11.3 Å²	11.3	25%	0.245	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-71.1	-17.8	170.6	-65.3	170.1	68.5	161.6	0.4	114	I353 Y355 G600 I601	I353-R603 WeakPolarHBondContact O-CD 3.49Å; I353-R603 PolarHBondContact O-NH1 3.42Å; Y355-R603 VanDerWaalsContact O-CG 3.32Å; Y355-R603 WeakPolarHBondContact O-CG 3.36Å; G600-R603 VanDerWaalsContact O-CB 3.31Å; G600-R603 WeakPolarHBondContact O-CB 3.37Å; G600-R603 WeakPolarHBondContact O-CD 3.12Å; G600-R603 VanDerWaalsContact O-CG 3.32Å; G600-R603 WeakPolarHBondContact O-CG 3.48Å; G600-R603 PolarHBondContact O-N 2.84Å; G600-R603 VanDerWaalsContact O-N 3.15Å; I601-R603 PolarHBondContact O-N 3.49Å
604	F	98.4	Very high	98.3	Very high	21 Å²	21	12.1 Å²	12.1	9%	0.092	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.4	-24.3	-167	-49.8	-54.9	0	0	0	113.5	L572 A575 Y576 H579 I601 G602	L572-F604 HydrophobicContact CD1-CD2 4.03Å; L572-F604 HydrophobicContact CD1-CE2 4.24Å; A575-F604 HydrophobicContact CB-CB 4.36Å; Y576-F604 HydrophobicContact CD2-CD1 4.06Å; Y576-F604 AromaticContact CD2-CE1 3.66Å; Y576-F604 HydrophobicContact CD2-CE1 3.66Å; Y576-F604 HydrophobicContact CD2-CE2 4.15Å; Y576-F604 HydrophobicContact CD2-CG 4.48Å; Y576-F604 AromaticContact CD2-CZ 3.7Å; Y576-F604 HydrophobicContact CD2-CZ 3.7Å; Y576-F604 HydrophobicContact CE2-CE1 4.26Å; Y576-F604 HydrophobicContact CE2-CZ 4.39Å; H579-F604 HydrophobicContact CB-CB 3.92Å; H579-F604 WeakPolarHBondContact CB-O 3.47Å; H579-F604 VanDerWaalsContact CD2-CA 3.49Å; H579-F604 WeakPolarHBondContact CD2-CA 3.31Å; H579-F604 PolarHBondContact CD2-O 3.08Å; H579-F604 AromaticContact ND1-CD1 3.78Å; I601-F604 PolarHBondContact O-N 3.17Å; G602-F604 VanDerWaalsContact C-N 3.26Å; G602-F604 PolarHBondContact O-N 3.27Å
605	S	98.7	Very high	98.3	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	7%	0.066	C	C	.	.			trans	-152.7	151.9	-172.3	-170.5	0	0	0	0	112.2	V592 L593 S594 I601	V592-S605 VanDerWaalsContact C-OG 3.27Å; V592-S605 WeakPolarHBondContact O-CA 3.45Å; V592-S605 PolarHBondContact O-OG 3.31Å; V592-S605 VanDerWaalsContact O-OG 3.06Å; L593-S605 WeakPolarHBondContact CA-OG 3.26Å; S594-S605 WeakPolarHBondContact CB-OG 3.39Å; S594-S605 PolarHBondContact N-OG 2.88Å; S594-S605 VanDerWaalsContact N-OG 3.09Å; I601-S605 PolarHBondContact O-N 2.99Å
606	G	98.8	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	172.5	154.1	0	0	0	0	0	111.1	V592 S594 L636	V592-G606 PolarHBondContact O-N 3.13Å; S594-G606 PolarHBondContact N-O 3.02Å; G606-L636 CarbonylContact C-O 3.39Å; G606-L636 WeakPolarHBondContact CA-O 3.39Å
607	V	98.8	Very high	98.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.7	175.7	173.1	0	0	0	0	109.3	S594 F629 V634 L636 V637	S594-V607 WeakPolarHBondContact O-CA 3.3Å; V607-F629 HydrophobicContact CB-CE1 4.25Å; V607-F629 HydrophobicContact CG1-CD1 4.47Å; V607-F629 HydrophobicContact CG1-CE1 3.83Å; V607-F629 HydrophobicContact CG1-CE2 4.22Å; V607-F629 HydrophobicContact CG1-CZ 3.68Å; V607-F629 HydrophobicContact CG2-CE1 4.38Å; V607-V634 HydrophobicContact CB-CG1 4.05Å; V607-V634 HydrophobicContact CG2-CG1 3.84Å; V607-L636 PolarHBondContact N-O 3.34Å; V607-V637 VanDerWaalsContact O-CA 3.3Å; V607-V637 WeakPolarHBondContact O-CA 3.41Å
608	W	98.7	Very high	98.3	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.6	162.7	82	107.8	0	0	0	109.4	W511 D513 L593 S594 R595 G610 G638 D640 F665	W511-W608 AromaticContact CD1-CH2 3.59Å; W511-W608 AromaticContact CD1-CZ3 3.51Å; W511-W608 AromaticContact CE2-CH2 3.91Å; W511-W608 HydrophobicContact CZ2-CH2 4.42Å; W511-W608 HydrophobicContact CZ2-CZ2 4.12Å; W511-W608 AromaticContact NE1-CH2 2.85Å; W511-W608 AromaticContact NE1-CZ2 3.38Å; W511-W608 AromaticContact NE1-CZ3 3.25Å; D513-W608 HydrophobicContact CB-CH2 4.2Å; D513-W608 WeakPolarHBondContact OD1-CH2 3.46Å; L593-W608 HydrophobicContact CD2-CB 4.34Å; L593-W608 HydrophobicContact CD2-CD2 4.06Å; L593-W608 HydrophobicContact CD2-CE3 3.5Å; L593-W608 VanDerWaalsContact CD2-CE3 3.5Å; L593-W608 HydrophobicContact CD2-CG 4.42Å; L593-W608 HydrophobicContact CD2-CZ3 4.12Å; L593-W608 HydrophobicContact CG-CE3 3.67Å; L593-W608 HydrophobicContact CG-CZ3 4.19Å; S594-W608 WeakPolarHBondContact O-CZ3 3.3Å; R595-W608 HydrophobicContact CB-CH2 3.34Å; R595-W608 HydrophobicContact CB-CZ2 3.91Å; R595-W608 HydrophobicContact CB-CZ3 3.79Å; R595-W608 HydrophobicContact CG-CH2 3.7Å; R595-W608 HydrophobicContact CG-CZ2 3.71Å; R595-W608 HydrophobicContact CG-CZ3 4.33Å; W608-G610 VanDerWaalsContact CD1-N 3.34Å; W608-G610 PolarHBondContact O-N 2.82Å; W608-G638 VanDerWaalsContact CA-O 3.23Å; W608-G638 WeakPolarHBondContact CA-O 3.35Å; W608-G638 WeakPolarHBondContact CB-O 3.46Å; W608-D640 VanDerWaalsContact CD1-OD2 3.29Å; W608-F665 HydrophobicContact CB-CE1 4.37Å
609	T	98.1	Very high	98.3	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.037	9%	0.09	C	C	.	.			trans	-75.9	25.6	-173.4	66.9	0	0	0	0	114	P280 A625 V637 G638 A639	P280-T609 WeakPolarHBondContact CG-O 3.17Å; T609-A625 HydrophobicContact CG2-CB 3.8Å; T609-V637 HydrophobicContact CG2-CG2 4.5Å; T609-G638 PolarHBondContact N-O 3.42Å; T609-G638 VanDerWaalsContact N-O 3.17Å; T609-A639 HydrophobicContact CG2-CB 4.5Å; T609-A639 WeakPolarHBondContact OG1-CA 3.45Å; T609-A639 VanDerWaalsContact OG1-CB 3.28Å; T609-A639 WeakPolarHBondContact OG1-CB 3.4Å
610	G	96.8	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.			trans	61.2	-150.5	-180	0	0	0	0	0	116	W608 V612	W608-G610 VanDerWaalsContact CD1-N 3.34Å; W608-G610 PolarHBondContact O-N 2.82Å; G610-V612 VanDerWaalsContact C-N 3.27Å; G610-V612 PolarHBondContact O-N 3.35Å
611	D	97.8	Very high	98.3	Very high	29 Å²	29	24 Å²	24	16%	0.155	11%	0.107	C	C	.	.	S	Bend	trans	-86.3	61.4	-158.9	-64.1	2.7	0	0	0	111.3	A279 P280 Y287 F644	A279-D611 HydrophobicContact CB-CB 4.28Å; P280-D611 WeakPolarHBondContact CD-O 3.39Å; Y287-D611 PolarHBondContact OH-N 3.23Å; D611-F644 HydrophobicContact CB-CD1 3.6Å; D611-F644 HydrophobicContact CB-CE1 3.91Å
612	V	97.9	Very high	98.3	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.024	11%	0.108	C	C	.	.			trans	-67.1	143.8	-178.1	-63.9	0	0	0	0	112.1	P280 G610 Q618 D640 F644 E645 W656	P280-V612 HydrophobicContact CG-CG1 4.01Å; G610-V612 VanDerWaalsContact C-N 3.27Å; G610-V612 PolarHBondContact O-N 3.35Å; V612-Q618 HydrophobicContact CB-CB 4.39Å; V612-Q618 HydrophobicContact CB-CG 4.5Å; V612-D640 HydrophobicContact CG2-CB 4.32Å; V612-F644 WeakPolarHBondContact O-CA 3.43Å; V612-F644 WeakPolarHBondContact O-CB 3.16Å; V612-F644 PolarHBondContact O-N 2.98Å; V612-E645 PolarHBondContact O-N 3.18Å; V612-W656 HydrophobicContact CG2-CH2 4.17Å; V612-W656 HydrophobicContact CG2-CZ2 4.14Å
613	R	98.3	Very high	98.4	Very high	90 Å²	90	24 Å²	24	34%	0.34	11%	0.106	S	C	.	.	B	Isolated β-bridge	trans	-76.3	153.6	176.5	-45.7	-175.6	-52.2	-128.1	-6.3	113.2	D615 E617 Q618 E645 W656	R613-D615 IonicContact CZ-OD2 2.78Å; R613-D615 IonicContact NE-OD2 3.19Å; R613-D615 PolarHBondContact NE-OD2 3.27Å; R613-D615 IonicContact NH2-OD2 3.75Å; R613-D615 PolarHBondContact NH2-OD2 3.14Å; R613-D615 PolarHBondContact O-N 3.27Å; R613-E617 IonicContact NH2-OE2 2.76Å; R613-E617 PolarHBondContact NH2-OE2 2.97Å; R613-Q618 HydrophobicContact CB-CG 3.95Å; R613-Q618 HydrophobicContact CG-CG 4.49Å; R613-Q618 VanDerWaalsContact O-CB 3.24Å; R613-Q618 WeakPolarHBondContact O-CB 3.42Å; R613-Q618 WeakPolarHBondContact O-CG 3.4Å; R613-E645 WeakPolarHBondContact CA-O 3.28Å; R613-E645 HydrophobicContact CB-CB 4.4Å; R613-E645 HydrophobicContact CG-CB 4.25Å; R613-W656 WeakPolarHBondContact O-CH2 3.45Å
614	S	98.6	Very high	98.4	Very high	17 Å²	17	21.1 Å²	21.1	12%	0.119	10%	0.095	C	C	.	.	S	Bend	trans	-76.1	63.2	173.2	-59.1	0	0	0	0	112.9	C642 G643 E645 G646 L652	S614-C642 WeakPolarHBondContact CB-O 3.34Å; S614-C642 PolarHBondContact OG-O 2.88Å; S614-G643 WeakPolarHBondContact OG-CA 3.2Å; S614-G643 PolarHBondContact OG-O 2.86Å; S614-E645 WeakPolarHBondContact CB-O 3.34Å; S614-E645 PolarHBondContact N-O 3.02Å; S614-E645 PolarHBondContact OG-O 3.17Å; S614-G646 VanDerWaalsContact CB-O 3.26Å; S614-G646 WeakPolarHBondContact CB-O 3.38Å; S614-G646 PolarHBondContact OG-O 3.31Å; S614-L652 VanDerWaalsContact C-CD2 3.48Å; S614-L652 WeakPolarHBondContact O-CD2 3.47Å
615	D	98.6	Very high	98.4	Very high	35 Å²	35	21.1 Å²	21.1	19%	0.187	10%	0.099	C	C	.	.	S	Bend	trans	-138.6	168.7	176.2	69.5	52.4	0	0	0	113.8	R613 E617 Q618 L619	R613-D615 IonicContact CZ-OD2 2.78Å; R613-D615 IonicContact NE-OD2 3.19Å; R613-D615 PolarHBondContact NE-OD2 3.27Å; R613-D615 IonicContact NH2-OD2 3.75Å; R613-D615 PolarHBondContact NH2-OD2 3.14Å; R613-D615 PolarHBondContact O-N 3.27Å; D615-E617 VanDerWaalsContact C-N 3.28Å; D615-E617 PolarHBondContact O-N 2.83Å; D615-E617 VanDerWaalsContact OD1-CA 3.32Å; D615-E617 WeakPolarHBondContact OD1-CA 3.27Å; D615-E617 WeakPolarHBondContact OD1-CB 3.41Å; D615-E617 PolarHBondContact OD1-N 3.07Å; D615-Q618 WeakPolarHBondContact OD1-CG 3.43Å; D615-Q618 PolarHBondContact OD1-N 2.63Å; D615-L619 PolarHBondContact O-N 3.46Å; D615-L619 VanDerWaalsContact O-N 3.13Å
616	W	98.7	Very high	98.4	Very high	35 Å²	35	21.2 Å²	21.2	13%	0.133	10%	0.099	C	C	.	.	H	α-helix	trans	-71.4	-20.5	-179.4	-66.4	93.1	0	0	0	113.6	L619 R620 E651 L652 R655 E752 Q753	W616-L619 HydrophobicContact CE3-CD2 3.6Å; W616-L619 HydrophobicContact CZ3-CD2 3.84Å; W616-R620 PolarHBondContact O-N 3.02Å; W616-R620 VanDerWaalsContact O-N 3.14Å; W616-E651 HydrophobicContact CH2-CG 4.05Å; W616-E651 HydrophobicContact CZ2-CB 4.4Å; W616-E651 HydrophobicContact CZ2-CG 3.9Å; W616-L652 HydrophobicContact CD2-CD1 3.83Å; W616-L652 HydrophobicContact CE3-CD1 4.17Å; W616-L652 HydrophobicContact CG-CD1 4.1Å; W616-L652 HydrophobicContact CZ2-CB 4.19Å; W616-L652 HydrophobicContact CZ2-CD1 4.48Å; W616-R655 HydrophobicContact CH2-CB 4.1Å; W616-R655 HydrophobicContact CH2-CG 3.55Å; W616-R655 HydrophobicContact CZ3-CB 3.98Å; W616-R655 HydrophobicContact CZ3-CG 3.74Å; W616-E752 WeakPolarHBondContact CZ3-O 3.47Å; W616-Q753 HydrophobicContact CD2-CB 4.19Å; W616-Q753 HydrophobicContact CG-CB 4.48Å; W616-Q753 HydrophobicContact CZ2-CB 3.87Å; W616-Q753 HydrophobicContact CZ2-CG 3.81Å
617	E	98	Very high	98.4	Very high	81 Å²	81	21.2 Å²	21.2	38%	0.379	10%	0.099	S	C	.	.	H	α-helix	trans	-71.2	-49.1	177.5	-151.7	-168.6	173.8	0	0	109.6	Y259 R613 D615 R620 F621	Y259-E617 WeakPolarHBondContact OH-CG 3.39Å; R613-E617 IonicContact NH2-OE2 2.76Å; R613-E617 PolarHBondContact NH2-OE2 2.97Å; D615-E617 VanDerWaalsContact C-N 3.28Å; D615-E617 PolarHBondContact O-N 2.83Å; D615-E617 VanDerWaalsContact OD1-CA 3.32Å; D615-E617 WeakPolarHBondContact OD1-CA 3.27Å; D615-E617 WeakPolarHBondContact OD1-CB 3.41Å; D615-E617 PolarHBondContact OD1-N 3.07Å; E617-R620 WeakPolarHBondContact O-CB 3.44Å; E617-R620 PolarHBondContact O-N 3.21Å; E617-F621 HydrophobicContact CG-CD2 4.09Å; E617-F621 HydrophobicContact CG-CE2 4.09Å; E617-F621 WeakPolarHBondContact O-CD2 3.31Å; E617-F621 PolarHBondContact O-N 2.8Å
618	Q	98.3	Very high	98.4	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-40.1	174.7	-66.2	-77.1	4.8	0	0	112.1	Y259 P280 V612 R613 D615 R620 F621 S622 W656	Y259-Q618 VanDerWaalsContact CE2-OE1 3.29Å; P280-Q618 PolarHBondContact O-NE2 3.41Å; V612-Q618 HydrophobicContact CB-CB 4.39Å; V612-Q618 HydrophobicContact CB-CG 4.5Å; R613-Q618 HydrophobicContact CB-CG 3.95Å; R613-Q618 HydrophobicContact CG-CG 4.49Å; R613-Q618 VanDerWaalsContact O-CB 3.24Å; R613-Q618 WeakPolarHBondContact O-CB 3.42Å; R613-Q618 WeakPolarHBondContact O-CG 3.4Å; D615-Q618 WeakPolarHBondContact OD1-CG 3.43Å; D615-Q618 PolarHBondContact OD1-N 2.63Å; Q618-R620 VanDerWaalsContact C-N 3.3Å; Q618-R620 PolarHBondContact O-N 3.48Å; Q618-F621 PolarHBondContact O-N 3.39Å; Q618-S622 WeakPolarHBondContact O-CB 3.26Å; Q618-S622 PolarHBondContact O-N 3.48Å; Q618-W656 HydrophobicContact CB-CH2 3.78Å
619	L	98.8	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-53.4	-48.1	170.1	177.2	72.8	0	0	0	111	D615 W616 S622 L652 R655 W656 L659 L751	D615-L619 PolarHBondContact O-N 3.46Å; D615-L619 VanDerWaalsContact O-N 3.13Å; W616-L619 HydrophobicContact CE3-CD2 3.6Å; W616-L619 HydrophobicContact CZ3-CD2 3.84Å; L619-S622 PolarHBondContact O-OG 3.35Å; L619-L652 HydrophobicContact CB-CD1 4.2Å; L619-L652 HydrophobicContact CD2-CD1 4.08Å; L619-R655 HydrophobicContact CD2-CB 4.15Å; L619-W656 HydrophobicContact CB-CD2 4.3Å; L619-W656 HydrophobicContact CB-CE3 4.14Å; L619-W656 HydrophobicContact CB-CZ3 4.3Å; L619-W656 HydrophobicContact CD1-CB 3.69Å; L619-W656 HydrophobicContact CD1-CD2 3.57Å; L619-W656 HydrophobicContact CD1-CE3 4.12Å; L619-W656 HydrophobicContact CD1-CG 3.36Å; L619-L659 HydrophobicContact CD1-CB 4.36Å; L619-L659 HydrophobicContact CD1-CD2 3.68Å; L619-L659 HydrophobicContact CG-CD2 4.28Å; L619-L751 HydrophobicContact CD2-CD2 4.12Å; L619-L751 HydrophobicContact CG-CD2 3.96Å
620	R	98.5	Very high	98.4	Very high	70 Å²	70	21.4 Å²	21.4	26%	0.264	10%	0.1	S	C	.	.	H	α-helix	trans	-66.3	-50.8	179.3	-178.9	177.9	64.7	-127.8	-4.3	112.3	W616 E617 Q618 S622 I623 P624 Q737 L751	W616-R620 PolarHBondContact O-N 3.02Å; W616-R620 VanDerWaalsContact O-N 3.14Å; E617-R620 WeakPolarHBondContact O-CB 3.44Å; E617-R620 PolarHBondContact O-N 3.21Å; Q618-R620 VanDerWaalsContact C-N 3.3Å; Q618-R620 PolarHBondContact O-N 3.48Å; R620-S622 VanDerWaalsContact C-N 3.26Å; R620-S622 PolarHBondContact O-N 2.94Å; R620-I623 PolarHBondContact O-N 3.28Å; R620-P624 WeakPolarHBondContact O-CD 3.29Å; R620-Q737 HydrophobicContact CG-CG 4.34Å; R620-L751 HydrophobicContact CB-CB 4.35Å; R620-L751 HydrophobicContact CB-CD1 4.4Å; R620-L751 HydrophobicContact CG-CD1 4.07Å
621	F	98.3	Very high	98.5	Very high	39 Å²	39	21.4 Å²	21.4	17%	0.171	10%	0.1	C	C	.	.	H	α-helix	trans	-74	-12.3	-176.6	-78.1	-73.2	0	0	0	114.4	Y259 E617 Q618 I623 P624 A625	Y259-F621 HydrophobicContact CD2-CB 4.17Å; Y259-F621 AromaticContact CE1-CD2 3.76Å; Y259-F621 HydrophobicContact CE1-CD2 3.76Å; Y259-F621 HydrophobicContact CE1-CE2 4.02Å; Y259-F621 HydrophobicContact CE1-CG 4.15Å; Y259-F621 HydrophobicContact CE2-CB 3.5Å; Y259-F621 VanDerWaalsContact CE2-CB 3.5Å; Y259-F621 HydrophobicContact CE2-CD2 4.11Å; Y259-F621 AromaticContact CE2-CG 3.98Å; Y259-F621 HydrophobicContact CE2-CG 3.98Å; Y259-F621 AromaticContact CZ-CD2 3.42Å; Y259-F621 VanDerWaalsContact CZ-CD2 3.42Å; Y259-F621 AromaticContact CZ-CG 3.75Å; Y259-F621 WeakPolarHBondContact OH-CD2 3.45Å; E617-F621 HydrophobicContact CG-CD2 4.09Å; E617-F621 HydrophobicContact CG-CE2 4.09Å; E617-F621 WeakPolarHBondContact O-CD2 3.31Å; E617-F621 PolarHBondContact O-N 2.8Å; Q618-F621 PolarHBondContact O-N 3.39Å; F621-I623 PolarHBondContact O-N 2.9Å; F621-P624 HydrophobicContact CD1-CG 3.96Å; F621-P624 VanDerWaalsContact O-CD 3.28Å; F621-P624 WeakPolarHBondContact O-CD 3.4Å; F621-P624 VanDerWaalsContact O-CG 3.3Å; F621-P624 WeakPolarHBondContact O-CG 3.37Å; F621-A625 PolarHBondContact O-N 2.95Å
622	S	98.8	Very high	98.5	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	9%	0.093	C	C	.	.	H	α-helix	trans	-58	-30.4	168.4	74	0	0	0	0	113.3	Q618 L619 R620 V626 Y663	Q618-S622 WeakPolarHBondContact O-CB 3.26Å; Q618-S622 PolarHBondContact O-N 3.48Å; L619-S622 PolarHBondContact O-OG 3.35Å; R620-S622 VanDerWaalsContact C-N 3.26Å; R620-S622 PolarHBondContact O-N 2.94Å; S622-V626 WeakPolarHBondContact O-CB 3.46Å; S622-V626 WeakPolarHBondContact O-CG2 3.26Å; S622-V626 PolarHBondContact O-N 3.08Å; S622-Y663 WeakPolarHBondContact CB-OH 3.26Å; S622-Y663 PolarHBondContact OG-OH 3.44Å
623	I	98.9	Very high	98.5	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	10%	0.095	C	C	.	.	H	α-helix	trans	-69.4	-57.5	-179.4	-53	176.3	0	0	0	110.9	R620 F621 A625 V626 L627 L659 D736 F739 P749 L751	R620-I623 PolarHBondContact O-N 3.28Å; F621-I623 PolarHBondContact O-N 2.9Å; I623-A625 PolarHBondContact O-N 2.97Å; I623-V626 PolarHBondContact O-N 3.38Å; I623-L627 HydrophobicContact CG2-CD1 3.98Å; I623-L627 HydrophobicContact CG2-CG 4.3Å; I623-L627 WeakPolarHBondContact O-CB 3.4Å; I623-L627 VanDerWaalsContact O-CG 3.29Å; I623-L627 WeakPolarHBondContact O-CG 3.14Å; I623-L627 PolarHBondContact O-N 2.64Å; I623-L659 HydrophobicContact CD1-CD1 4.09Å; I623-L659 HydrophobicContact CD1-CD2 4.09Å; I623-L659 HydrophobicContact CG1-CD1 4.11Å; I623-L659 HydrophobicContact CG1-CD2 3.89Å; I623-D736 WeakPolarHBondContact CB-O 3.36Å; I623-D736 WeakPolarHBondContact CG2-O 3.49Å; I623-F739 HydrophobicContact CG2-CD1 3.8Å; I623-F739 HydrophobicContact CG2-CE1 4.45Å; I623-F739 HydrophobicContact CG2-CG 4.47Å; I623-P749 HydrophobicContact CD1-CG 3.74Å; I623-L751 HydrophobicContact CD1-CD1 3.76Å; I623-L751 HydrophobicContact CD1-CD2 4.04Å
624	P	98.6	Very high	98.5	Very high	3 Å²	3	16 Å²	16	2%	0.019	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-33.7	175.1	19	-29.7	0	0	0	112.7	L262 R620 F621 L627 Q628 D736	L262-P624 HydrophobicContact CB-CB 4.02Å; R620-P624 WeakPolarHBondContact O-CD 3.29Å; F621-P624 HydrophobicContact CD1-CG 3.96Å; F621-P624 VanDerWaalsContact O-CD 3.28Å; F621-P624 WeakPolarHBondContact O-CD 3.4Å; F621-P624 VanDerWaalsContact O-CG 3.3Å; F621-P624 WeakPolarHBondContact O-CG 3.37Å; P624-L627 PolarHBondContact O-N 2.74Å; P624-Q628 WeakPolarHBondContact O-CB 3.31Å; P624-Q628 VanDerWaalsContact O-CG 3.28Å; P624-Q628 WeakPolarHBondContact O-CG 3.27Å; P624-Q628 PolarHBondContact O-N 2.85Å; P624-D736 HydrophobicContact CB-CB 4.19Å
625	A	98.6	Very high	98.5	Very high	21 Å²	21	15.6 Å²	15.6	17%	0.174	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-50.8	174.6	0	0	0	0	0	112.8	T609 F621 I623 L627 Q628 F629	T609-A625 HydrophobicContact CG2-CB 3.8Å; F621-A625 PolarHBondContact O-N 2.95Å; I623-A625 PolarHBondContact O-N 2.97Å; A625-L627 VanDerWaalsContact C-N 3.27Å; A625-L627 PolarHBondContact O-N 3.11Å; A625-Q628 PolarHBondContact O-N 3.26Å; A625-F629 WeakPolarHBondContact O-CD2 3.21Å; A625-F629 PolarHBondContact O-N 3.19Å; A625-F629 VanDerWaalsContact O-N 3.11Å
626	V	98.9	Very high	98.6	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-58.8	-38.7	174.5	160.9	0	0	0	0	111.9	S622 I623 S630 V637 Y663 A719	S622-V626 WeakPolarHBondContact O-CB 3.46Å; S622-V626 WeakPolarHBondContact O-CG2 3.26Å; S622-V626 PolarHBondContact O-N 3.08Å; I623-V626 PolarHBondContact O-N 3.38Å; V626-S630 PolarHBondContact O-N 2.76Å; V626-S630 PolarHBondContact O-OG 2.8Å; V626-V637 HydrophobicContact CB-CG1 4.39Å; V626-V637 HydrophobicContact CG1-CG1 4.09Å; V626-V637 HydrophobicContact CG2-CG1 4.4Å; V626-V637 HydrophobicContact CG2-CG2 4.45Å; V626-Y663 HydrophobicContact CG2-CD1 3.97Å; V626-Y663 HydrophobicContact CG2-CE1 4.24Å; V626-Y663 HydrophobicContact CG2-CG 4.48Å; V626-A719 HydrophobicContact CG1-CB 4.12Å
627	L	98.8	Very high	98.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-70	-40.2	178	-69.2	-177.3	0	0	0	112.7	L262 I623 P624 A625 S630 L631 A719 P721 F739	L262-L627 HydrophobicContact CD1-CB 4.03Å; L262-L627 HydrophobicContact CD2-CB 4.22Å; L262-L627 HydrophobicContact CD2-CD1 3.92Å; I623-L627 HydrophobicContact CG2-CD1 3.98Å; I623-L627 HydrophobicContact CG2-CG 4.3Å; I623-L627 WeakPolarHBondContact O-CB 3.4Å; I623-L627 VanDerWaalsContact O-CG 3.29Å; I623-L627 WeakPolarHBondContact O-CG 3.14Å; I623-L627 PolarHBondContact O-N 2.64Å; P624-L627 PolarHBondContact O-N 2.74Å; A625-L627 VanDerWaalsContact C-N 3.27Å; A625-L627 PolarHBondContact O-N 3.11Å; L627-S630 WeakPolarHBondContact O-CB 3.45Å; L627-S630 PolarHBondContact O-N 2.74Å; L627-L631 WeakPolarHBondContact O-CG 3.48Å; L627-L631 PolarHBondContact O-N 3.16Å; L627-L631 VanDerWaalsContact O-N 3.17Å; L627-A719 HydrophobicContact CD2-CB 4.46Å; L627-P721 HydrophobicContact CB-CG 4.25Å; L627-P721 HydrophobicContact CD1-CB 4.43Å; L627-P721 HydrophobicContact CD1-CG 4.24Å; L627-P721 HydrophobicContact CD2-CG 4.28Å; L627-P721 HydrophobicContact CG-CG 4.49Å; L627-F739 HydrophobicContact CD1-CB 4.19Å; L627-F739 HydrophobicContact CD2-CB 3.89Å; L627-F739 HydrophobicContact CG-CB 4.46Å
628	Q	98.5	Very high	98.6	Very high	6 Å²	6	8.8 Å²	8.8	3%	0.028	5%	0.045	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.1	-79.3	-177.2	60.7	0	0	111.5	L262 P624 A625 S630 L631 F632	L262-Q628 HydrophobicContact CD1-CG 3.86Å; P624-Q628 WeakPolarHBondContact O-CB 3.31Å; P624-Q628 VanDerWaalsContact O-CG 3.28Å; P624-Q628 WeakPolarHBondContact O-CG 3.27Å; P624-Q628 PolarHBondContact O-N 2.85Å; A625-Q628 PolarHBondContact O-N 3.26Å; Q628-S630 PolarHBondContact O-N 3.49Å; Q628-L631 WeakPolarHBondContact O-CA 3.37Å; Q628-L631 VanDerWaalsContact O-CB 3.25Å; Q628-L631 WeakPolarHBondContact O-CB 3.41Å; Q628-L631 PolarHBondContact O-N 2.89Å; Q628-F632 HydrophobicContact CB-CE2 3.82Å; Q628-F632 HydrophobicContact CB-CZ 3.99Å; Q628-F632 WeakPolarHBondContact O-CD2 3.36Å; Q628-F632 WeakPolarHBondContact O-CG 3.3Å; Q628-F632 PolarHBondContact O-N 3.2Å
629	F	98.8	Very high	98.6	Very high	3 Å²	3	8.7 Å²	8.7	1%	0.013	5%	0.045	C	C	.	.	H	α-helix	trans	-62.1	-29.1	176.2	-85.8	-71.8	0	0	0	113.4	E257 H290 V607 A625 F632 G633 V634 V637	E257-F629 HydrophobicContact CG-CE2 4.15Å; E257-F629 HydrophobicContact CG-CZ 4.14Å; E257-F629 WeakPolarHBondContact OE1-CE2 3.48Å; H290-F629 AromaticContact NE2-CE1 3.87Å; V607-F629 HydrophobicContact CB-CE1 4.25Å; V607-F629 HydrophobicContact CG1-CD1 4.47Å; V607-F629 HydrophobicContact CG1-CE1 3.83Å; V607-F629 HydrophobicContact CG1-CE2 4.22Å; V607-F629 HydrophobicContact CG1-CZ 3.68Å; V607-F629 HydrophobicContact CG2-CE1 4.38Å; A625-F629 WeakPolarHBondContact O-CD2 3.21Å; A625-F629 PolarHBondContact O-N 3.19Å; A625-F629 VanDerWaalsContact O-N 3.11Å; F629-F632 AromaticContact CD1-CD2 3.98Å; F629-F632 HydrophobicContact CD1-CD2 3.98Å; F629-F632 HydrophobicContact CE1-CD2 4.38Å; F629-F632 HydrophobicContact CG-CD2 4.31Å; F629-F632 PolarHBondContact O-N 2.76Å; F629-G633 PolarHBondContact O-N 3.23Å; F629-V634 HydrophobicContact CB-CB 4.3Å; F629-V634 HydrophobicContact CD1-CB 3.95Å; F629-V634 HydrophobicContact CD1-CG1 4.35Å; F629-V634 HydrophobicContact CD1-CG2 4.11Å; F629-V634 CarbonylContact O-C 3.55Å; F629-V634 WeakPolarHBondContact O-CA 3.38Å; F629-V634 PolarHBondContact O-N 3.09Å; F629-V637 HydrophobicContact CB-CB 4.02Å; F629-V637 HydrophobicContact CB-CG1 3.87Å; F629-V637 HydrophobicContact CB-CG2 3.77Å; F629-V637 HydrophobicContact CD2-CG2 3.84Å; F629-V637 HydrophobicContact CG-CG2 3.91Å
630	S	97.6	Very high	98.6	Very high	3 Å²	3	8.7 Å²	8.7	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-66.9	-33.7	170.1	-58.7	0	0	0	0	112.6	V626 L627 Q628 G633 A719	V626-S630 PolarHBondContact O-N 2.76Å; V626-S630 PolarHBondContact O-OG 2.8Å; L627-S630 WeakPolarHBondContact O-CB 3.45Å; L627-S630 PolarHBondContact O-N 2.74Å; Q628-S630 PolarHBondContact O-N 3.49Å; S630-G633 PolarHBondContact O-N 3.03Å; S630-A719 WeakPolarHBondContact CB-O 3.38Å; S630-A719 PolarHBondContact OG-O 3.25Å
631	L	98.4	Very high	98.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67.2	-36.2	169.7	-49.5	-174.8	0	0	0	111.8	L262 I294 I346 L627 Q628 G633 P721 M724	L262-L631 HydrophobicContact CD1-CD1 4.29Å; I294-L631 HydrophobicContact CG2-CD1 4.07Å; I346-L631 HydrophobicContact CD1-CB 4.18Å; I346-L631 HydrophobicContact CD1-CD2 4.39Å; L627-L631 WeakPolarHBondContact O-CG 3.48Å; L627-L631 PolarHBondContact O-N 3.16Å; L627-L631 VanDerWaalsContact O-N 3.17Å; Q628-L631 WeakPolarHBondContact O-CA 3.37Å; Q628-L631 VanDerWaalsContact O-CB 3.25Å; Q628-L631 WeakPolarHBondContact O-CB 3.41Å; Q628-L631 PolarHBondContact O-N 2.89Å; L631-G633 PolarHBondContact O-N 3.27Å; L631-P721 HydrophobicContact CD2-CG 4.43Å; L631-M724 HydrophobicContact CD2-CE 3.24Å; L631-M724 HydrophobicContact CD2-SD 4.37Å
632	F	98.6	Very high	98.7	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.009	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-1.7	-179.7	-52.5	-34.1	0	0	0	114.2	H290 F292 Q628 F629	H290-F632 HydrophobicContact CB-CD1 3.81Å; H290-F632 HydrophobicContact CB-CD2 4.1Å; H290-F632 HydrophobicContact CB-CE1 3.88Å; H290-F632 HydrophobicContact CB-CE2 4.17Å; H290-F632 HydrophobicContact CB-CG 3.96Å; H290-F632 HydrophobicContact CB-CZ 4.09Å; H290-F632 AromaticContact CD2-CD2 3.78Å; H290-F632 AromaticContact CG-CD2 3.68Å; H290-F632 AromaticContact CG-CG 3.72Å; H290-F632 AromaticContact ND1-CG 3.75Å; F292-F632 HydrophobicContact CD1-CD1 4.24Å; Q628-F632 HydrophobicContact CB-CE2 3.82Å; Q628-F632 HydrophobicContact CB-CZ 3.99Å; Q628-F632 WeakPolarHBondContact O-CD2 3.36Å; Q628-F632 WeakPolarHBondContact O-CG 3.3Å; Q628-F632 PolarHBondContact O-N 3.2Å; F629-F632 AromaticContact CD1-CD2 3.98Å; F629-F632 HydrophobicContact CD1-CD2 3.98Å; F629-F632 HydrophobicContact CE1-CD2 4.38Å; F629-F632 HydrophobicContact CG-CD2 4.31Å; F629-F632 PolarHBondContact O-N 2.76Å
633	G	98.4	Very high	98.7	Very high	6 Å²	6	3.3 Å²	3.3	6%	0.062	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	26.6	-176.9	0	0	0	0	0	114.1	F629 S630 L631 P635	F629-G633 PolarHBondContact O-N 3.23Å; S630-G633 PolarHBondContact O-N 3.03Å; L631-G633 PolarHBondContact O-N 3.27Å; G633-P635 WeakPolarHBondContact O-CD 3.39Å
634	V	98.8	Very high	98.6	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.012	3%	0.025	C	C	.	.			trans	-115.2	71.9	175.3	-168.8	0	0	0	0	108.7	I601 V607 F629 L636 V637	I601-V634 HydrophobicContact CG2-CG2 3.64Å; V607-V634 HydrophobicContact CB-CG1 4.05Å; V607-V634 HydrophobicContact CG2-CG1 3.84Å; F629-V634 HydrophobicContact CB-CB 4.3Å; F629-V634 HydrophobicContact CD1-CB 3.95Å; F629-V634 HydrophobicContact CD1-CG1 4.35Å; F629-V634 HydrophobicContact CD1-CG2 4.11Å; F629-V634 CarbonylContact O-C 3.55Å; F629-V634 WeakPolarHBondContact O-CA 3.38Å; F629-V634 PolarHBondContact O-N 3.09Å; V634-L636 VanDerWaalsContact C-N 3.27Å; V634-L636 PolarHBondContact O-N 2.98Å; V634-V637 WeakPolarHBondContact O-CG1 3.41Å
635	P	98.6	Very high	98.6	Very high	8 Å²	8	7.3 Å²	7.3	5%	0.052	4%	0.041	C	C	.	.			trans	-70.6	-20.1	-174.5	29.4	-36.6	0	0	0	113.3	P356 G633 V637 P664 F708 A711 V718	P356-P635 HydrophobicContact CB-CG 3.62Å; P356-P635 HydrophobicContact CG-CG 3.76Å; G633-P635 WeakPolarHBondContact O-CD 3.39Å; P635-V637 PolarHBondContact O-N 2.89Å; P635-P664 WeakPolarHBondContact O-CB 3.43Å; P635-P664 VanDerWaalsContact O-CG 3.3Å; P635-P664 WeakPolarHBondContact O-CG 3.43Å; P635-F708 HydrophobicContact CB-CD1 4.5Å; P635-F708 HydrophobicContact CB-CE1 3.94Å; P635-F708 HydrophobicContact CG-CD1 4.32Å; P635-F708 HydrophobicContact CG-CE1 3.97Å; P635-A711 HydrophobicContact CG-CB 4.2Å; P635-V718 HydrophobicContact CB-CB 4.1Å; P635-V718 HydrophobicContact CB-CG2 3.67Å
636	L	98.9	Very high	98.6	Very high	7 Å²	7	8 Å²	8	4%	0.037	5%	0.05	C	C	.	.	S	Bend	trans	-87.1	78.2	175	-173.2	65.9	0	0	0	109.2	M357 P359 L364 F591 G606 V607 V634 F665 F708	M357-L636 HydrophobicContact CE-CD2 3.83Å; P359-L636 HydrophobicContact CB-CD2 4.39Å; L364-L636 HydrophobicContact CD2-CD1 4.02Å; F591-L636 HydrophobicContact CD2-CD2 4.35Å; F591-L636 HydrophobicContact CE2-CD2 3.92Å; G606-L636 CarbonylContact C-O 3.39Å; G606-L636 WeakPolarHBondContact CA-O 3.39Å; V607-L636 PolarHBondContact N-O 3.34Å; V634-L636 VanDerWaalsContact C-N 3.27Å; V634-L636 PolarHBondContact O-N 2.98Å; L636-F665 HydrophobicContact CD1-CB 3.92Å; L636-F665 HydrophobicContact CG-CB 4.22Å; L636-F708 HydrophobicContact CB-CE1 3.92Å; L636-F708 HydrophobicContact CB-CZ 4.15Å; L636-F708 HydrophobicContact CD1-CE1 4.28Å; L636-F708 HydrophobicContact CD1-CZ 3.84Å
637	V	98.9	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.2	-175.5	63.9	0	0	0	0	112.6	V607 T609 V626 F629 V634 P635 P664 F665	V607-V637 VanDerWaalsContact O-CA 3.3Å; V607-V637 WeakPolarHBondContact O-CA 3.41Å; T609-V637 HydrophobicContact CG2-CG2 4.5Å; V626-V637 HydrophobicContact CB-CG1 4.39Å; V626-V637 HydrophobicContact CG1-CG1 4.09Å; V626-V637 HydrophobicContact CG2-CG1 4.4Å; V626-V637 HydrophobicContact CG2-CG2 4.45Å; F629-V637 HydrophobicContact CB-CB 4.02Å; F629-V637 HydrophobicContact CB-CG1 3.87Å; F629-V637 HydrophobicContact CB-CG2 3.77Å; F629-V637 HydrophobicContact CD2-CG2 3.84Å; F629-V637 HydrophobicContact CG-CG2 3.91Å; V634-V637 WeakPolarHBondContact O-CG1 3.41Å; P635-V637 PolarHBondContact O-N 2.89Å; V637-P664 VanDerWaalsContact O-CD 3.31Å; V637-P664 WeakPolarHBondContact O-CD 3.41Å; V637-F665 PolarHBondContact O-N 2.85Å
638	G	98.8	Very high	98.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	164.4	175.9	0	0	0	0	0	112	W608 T609 F665	W608-G638 VanDerWaalsContact CA-O 3.23Å; W608-G638 WeakPolarHBondContact CA-O 3.35Å; W608-G638 WeakPolarHBondContact CB-O 3.46Å; T609-G638 PolarHBondContact N-O 3.42Å; T609-G638 VanDerWaalsContact N-O 3.17Å; G638-F665 WeakPolarHBondContact CA-O 3.36Å
639	A	98.8	Very high	98.5	Very high	2 Å²	2	16.6 Å²	16.6	2%	0.017	10%	0.097	C	C	.	.			trans	-99	158.9	170.3	0	0	0	0	0	110.6	T609 I641 Y663	T609-A639 HydrophobicContact CG2-CB 4.5Å; T609-A639 WeakPolarHBondContact OG1-CA 3.45Å; T609-A639 VanDerWaalsContact OG1-CB 3.28Å; T609-A639 WeakPolarHBondContact OG1-CB 3.4Å; A639-I641 PolarHBondContact O-N 3.27Å; A639-Y663 HydrophobicContact CB-CE2 3.93Å; A639-Y663 WeakPolarHBondContact O-CE2 3.49Å
640	D	98.8	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.			trans	-71	112.2	177.5	-78.3	-37.1	0	0	0	111.6	W608 V612 G643 F644 R667 H669	W608-D640 VanDerWaalsContact CD1-OD2 3.29Å; V612-D640 HydrophobicContact CG2-CB 4.32Å; D640-G643 WeakPolarHBondContact O-CA 3.5Å; D640-G643 PolarHBondContact O-N 2.98Å; D640-F644 HydrophobicContact CB-CB 4.34Å; D640-R667 VanDerWaalsContact CG-NH2 3.26Å; D640-R667 IonicContact OD1-CZ 3.58Å; D640-R667 VanDerWaalsContact OD1-CZ 3.26Å; D640-R667 IonicContact OD1-NE 3.51Å; D640-R667 PolarHBondContact OD1-NE 3.44Å; D640-R667 IonicContact OD1-NH2 2.7Å; D640-R667 PolarHBondContact OD1-NH2 3.41Å; D640-R667 IonicContact OD2-CZ 2.81Å; D640-R667 IonicContact OD2-NH2 3.52Å; D640-R667 PolarHBondContact OD2-NH2 3Å; D640-H669 HydrophobicContact CB-CB 4.14Å; D640-H669 VanDerWaalsContact OD1-CB 3.31Å; D640-H669 WeakPolarHBondContact OD1-CB 3.48Å; D640-H669 IonicContact OD2-CD2 3.52Å; D640-H669 PolarHBondContact OD2-CD2 2.8Å; D640-H669 IonicContact OD2-CG 2.77Å
641	I	98.9	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	134.1	-167.4	-64.5	165.5	0	0	0	110.8	A639 W656 M657 Y663 M666 R667 N668	A639-I641 PolarHBondContact O-N 3.27Å; I641-W656 HydrophobicContact CG2-CB 4.09Å; I641-W656 HydrophobicContact CG2-CG 4.12Å; I641-M657 HydrophobicContact CG2-CB 4.49Å; I641-M657 HydrophobicContact CG2-CG 3.94Å; I641-M657 HydrophobicContact CG2-SD 3.5Å; I641-M657 VanDerWaalsContact CG2-SD 3.5Å; I641-Y663 HydrophobicContact CD1-CD2 4.31Å; I641-Y663 HydrophobicContact CG1-CD2 4.13Å; I641-Y663 HydrophobicContact CG1-CE2 3.89Å; I641-M666 HydrophobicContact CD1-CB 4.42Å; I641-M666 HydrophobicContact CD1-CE 3.87Å; I641-M666 HydrophobicContact CD1-CG 3.37Å; I641-R667 WeakPolarHBondContact CB-O 3.47Å; I641-R667 VanDerWaalsContact CG1-O 3.28Å; I641-R667 WeakPolarHBondContact CG1-O 3.38Å; I641-R667 PolarHBondContact N-O 3.49Å; I641-N668 HydrophobicContact CB-CB 4.28Å; I641-N668 PolarHBondContact O-ND2 3.22Å
642	C	98.8	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-6.6	-169.8	-50.1	0	0	0	0	115.4	S614 T648 C653 W656 Q677	S614-C642 WeakPolarHBondContact CB-O 3.34Å; S614-C642 PolarHBondContact OG-O 2.88Å; C642-T648 HydrophobicContact CB-CG2 4.12Å; C642-T648 VanDerWaalsContact O-CB 3.24Å; C642-T648 WeakPolarHBondContact O-CB 3.24Å; C642-T648 PolarHBondContact O-OG1 2.73Å; C642-C653 HydrophobicContact CB-CB 3.68Å; C642-C653 WeakPolarHBondContact CB-SG 3.31Å; C642-C653 WeakPolarHBondContact SG-CA 3.48Å; C642-C653 WeakPolarHBondContact SG-CB 3.25Å; C642-C653 PolarHBondContact SG-O 3.03Å; C642-C653 CovalentContact SG-SG 2.04Å; C642-C653 PolarHBondContact SG-SG 2.88Å; C642-W656 VanDerWaalsContact C-CE3 3.41Å; C642-W656 VanDerWaalsContact N-CD2 3.29Å; C642-Q677 HydrophobicContact CB-CG 4.49Å
643	G	98.6	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.			trans	96.7	146.8	-179.4	0	0	0	0	0	113	S614 D640 Q677	S614-G643 WeakPolarHBondContact OG-CA 3.2Å; S614-G643 PolarHBondContact OG-O 2.86Å; D640-G643 WeakPolarHBondContact O-CA 3.5Å; D640-G643 PolarHBondContact O-N 2.98Å; G643-Q677 PolarHBondContact O-NE2 3.33Å
644	F	98.5	Very high	98.6	Very high	16 Å²	16	21.8 Å²	21.8	7%	0.07	12%	0.119	C	C	.	.	S	Bend	trans	-90.7	-53.3	176.2	174.4	-102.5	0	0	0	112	D611 V612 D640 H669 D671 N674	D611-F644 HydrophobicContact CB-CD1 3.6Å; D611-F644 HydrophobicContact CB-CE1 3.91Å; V612-F644 WeakPolarHBondContact O-CA 3.43Å; V612-F644 WeakPolarHBondContact O-CB 3.16Å; V612-F644 PolarHBondContact O-N 2.98Å; D640-F644 HydrophobicContact CB-CB 4.34Å; F644-H669 AromaticContact CD2-CD2 3.33Å; F644-H669 WeakPolarHBondContact CD2-CD2 3.12Å; F644-H669 AromaticContact CD2-NE2 3.59Å; F644-H669 AromaticContact CE2-CD2 3.59Å; F644-H669 AromaticContact CE2-NE2 3.28Å; F644-H669 VanDerWaalsContact CE2-NE2 3.28Å; F644-H669 WeakPolarHBondContact CE2-NE2 3.48Å; F644-D671 HydrophobicContact CD1-CB 4.28Å; F644-D671 HydrophobicContact CD2-CB 4.17Å; F644-D671 HydrophobicContact CE1-CB 3.94Å; F644-D671 HydrophobicContact CE2-CB 3.81Å; F644-D671 HydrophobicContact CG-CB 4.4Å; F644-D671 HydrophobicContact CZ-CB 3.69Å; F644-D671 VanDerWaalsContact O-CB 3.25Å; F644-D671 WeakPolarHBondContact O-CB 3.49Å; F644-D671 PolarHBondContact O-N 3.46Å; F644-D671 VanDerWaalsContact O-N 3.12Å; F644-N674 PolarHBondContact O-ND2 2.71Å
645	E	97.7	Very high	98.6	Very high	75 Å²	75	21.9 Å²	21.9	35%	0.35	12%	0.12	S	C	.	.	B	Isolated β-bridge	trans	-84.5	132.1	-179.6	-63.5	-165.4	146.1	0	0	112.6	V612 R613 S614	V612-E645 PolarHBondContact O-N 3.18Å; R613-E645 WeakPolarHBondContact CA-O 3.28Å; R613-E645 HydrophobicContact CB-CB 4.4Å; R613-E645 HydrophobicContact CG-CB 4.25Å; S614-E645 WeakPolarHBondContact CB-O 3.34Å; S614-E645 PolarHBondContact N-O 3.02Å; S614-E645 PolarHBondContact OG-O 3.17Å
646	G	97.6	Very high	98.7	Very high	35 Å²	35	21.5 Å²	21.5	36%	0.361	12%	0.117	S	C	.	.	S	Bend	trans	75.4	165.8	176	0	0	0	0	0	114.9	S614 T648 N674	S614-G646 VanDerWaalsContact CB-O 3.26Å; S614-G646 WeakPolarHBondContact CB-O 3.38Å; S614-G646 PolarHBondContact OG-O 3.31Å; G646-T648 PolarHBondContact O-N 3.29Å; G646-N674 VanDerWaalsContact CA-OD1 3.29Å; G646-N674 WeakPolarHBondContact CA-OD1 3.37Å; G646-N674 PolarHBondContact N-ND2 3.48Å; G646-N674 PolarHBondContact N-OD1 2.95Å; G646-N674 PolarHBondContact O-ND2 3.47Å; G646-N674 VanDerWaalsContact O-ND2 3.11Å
647	N	98.4	Very high	98.7	Very high	103 Å²	103	21.2 Å²	21.2	55%	0.551	12%	0.115	S	C	*	.			trans	-75.4	120.9	-174.7	-64.4	-57.4	0	0	0	112.3	N674 A675	N647-N674 WeakPolarHBondContact OD1-CA 3.32Å; N647-A675 WeakPolarHBondContact OD1-CB 3.42Å; N647-A675 PolarHBondContact OD1-N 3.33Å
648	T	98.6	Very high	98.7	Very high	24 Å²	24	21.4 Å²	21.4	15%	0.147	12%	0.116	C	C	.	.			trans	-67.2	172.6	165.6	-151.3	0	0	0	0	112.2	C642 G646 C653 Q677 F682	C642-T648 HydrophobicContact CB-CG2 4.12Å; C642-T648 VanDerWaalsContact O-CB 3.24Å; C642-T648 WeakPolarHBondContact O-CB 3.24Å; C642-T648 PolarHBondContact O-OG1 2.73Å; G646-T648 PolarHBondContact O-N 3.29Å; T648-C653 HydrophobicContact CG2-CB 3.94Å; T648-Q677 HydrophobicContact CG2-CB 3.73Å; T648-F682 HydrophobicContact CG2-CZ 4.03Å
649	N	98.5	Very high	98.7	Very high	62 Å²	62	21.4 Å²	21.4	33%	0.332	12%	0.117	S	C	.	.			trans	-129.9	164.8	170.5	67.8	77	0	0	0	110.9	E651 L652 C653	N649-E651 VanDerWaalsContact C-N 3.32Å; N649-E651 PolarHBondContact O-N 2.96Å; N649-E651 WeakPolarHBondContact OD1-CB 3.12Å; N649-E651 PolarHBondContact OD1-N 3.01Å; N649-L652 WeakPolarHBondContact ND2-CB 3.26Å; N649-L652 PolarHBondContact O-N 3.2Å; N649-L652 PolarHBondContact OD1-N 3.49Å; N649-C653 VanDerWaalsContact O-CB 3.29Å; N649-C653 WeakPolarHBondContact O-CB 3.36Å; N649-C653 PolarHBondContact O-N 3.36Å
650	E	98.7	Very high	98.7	Very high	79 Å²	79	21.3 Å²	21.3	37%	0.369	12%	0.116	S	C	.	.	H	α-helix	trans	-58.4	-40.9	-174.5	-176.7	167.4	117	0	0	112.9	V654 F682 G683 A686	E650-V654 VanDerWaalsContact O-CG2 3.27Å; E650-V654 WeakPolarHBondContact O-CG2 3.48Å; E650-V654 PolarHBondContact O-N 2.69Å; E650-F682 HydrophobicContact CB-CD1 3.83Å; E650-F682 HydrophobicContact CB-CE1 4.31Å; E650-F682 HydrophobicContact CG-CB 4.29Å; E650-F682 HydrophobicContact CG-CD1 3.93Å; E650-F682 HydrophobicContact CG-CG 4.43Å; E650-G683 PolarHBondContact OE2-N 3.2Å; E650-A686 HydrophobicContact CG-CB 3.45Å; E650-A686 VanDerWaalsContact CG-CB 3.45Å
651	E	98.8	Very high	98.7	Very high	44 Å²	44	21.3 Å²	21.3	21%	0.206	12%	0.116	C	C	.	.	H	α-helix	trans	-67.6	-51.9	-179.3	-171.4	-171.9	-176.1	0	0	111.6	W616 N649 C653 V654 R655 Q753 G754 L789	W616-E651 HydrophobicContact CH2-CG 4.05Å; W616-E651 HydrophobicContact CZ2-CB 4.4Å; W616-E651 HydrophobicContact CZ2-CG 3.9Å; N649-E651 VanDerWaalsContact C-N 3.32Å; N649-E651 PolarHBondContact O-N 2.96Å; N649-E651 WeakPolarHBondContact OD1-CB 3.12Å; N649-E651 PolarHBondContact OD1-N 3.01Å; E651-C653 VanDerWaalsContact C-N 3.31Å; E651-C653 PolarHBondContact O-N 3.44Å; E651-V654 PolarHBondContact O-N 2.72Å; E651-R655 PolarHBondContact O-N 2.95Å; E651-Q753 VanDerWaalsContact OE2-CG 3.24Å; E651-Q753 WeakPolarHBondContact OE2-CG 3.47Å; E651-Q753 PolarHBondContact OE2-NE2 3.33Å; E651-G754 VanDerWaalsContact OE1-CA 3.3Å; E651-G754 WeakPolarHBondContact OE1-CA 3.18Å; E651-G754 PolarHBondContact OE1-N 3.27Å; E651-L789 HydrophobicContact CG-CD1 3.97Å
652	L	98.9	Very high	98.7	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-56.9	-46.3	176.7	176	62.8	0	0	0	110.7	S614 W616 L619 N649 V654 R655 W656	S614-L652 VanDerWaalsContact C-CD2 3.48Å; S614-L652 WeakPolarHBondContact O-CD2 3.47Å; W616-L652 HydrophobicContact CD2-CD1 3.83Å; W616-L652 HydrophobicContact CE3-CD1 4.17Å; W616-L652 HydrophobicContact CG-CD1 4.1Å; W616-L652 HydrophobicContact CZ2-CB 4.19Å; W616-L652 HydrophobicContact CZ2-CD1 4.48Å; L619-L652 HydrophobicContact CB-CD1 4.2Å; L619-L652 HydrophobicContact CD2-CD1 4.08Å; N649-L652 WeakPolarHBondContact ND2-CB 3.26Å; N649-L652 PolarHBondContact O-N 3.2Å; N649-L652 PolarHBondContact OD1-N 3.49Å; L652-V654 PolarHBondContact O-N 3.46Å; L652-R655 PolarHBondContact O-N 3.01Å; L652-W656 HydrophobicContact CD1-CE3 3.98Å; L652-W656 HydrophobicContact CD1-CZ3 4.47Å; L652-W656 HydrophobicContact CD2-CE3 4.47Å; L652-W656 HydrophobicContact CG-CE3 4.16Å; L652-W656 WeakPolarHBondContact O-CB 3.3Å; L652-W656 PolarHBondContact O-N 2.9Å
653	C	98.9	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.2	-31.3	-178	-168.3	0	0	0	0	112.5	C642 T648 N649 E651 M657 F682 M690	C642-C653 HydrophobicContact CB-CB 3.68Å; C642-C653 WeakPolarHBondContact CB-SG 3.31Å; C642-C653 WeakPolarHBondContact SG-CA 3.48Å; C642-C653 WeakPolarHBondContact SG-CB 3.25Å; C642-C653 PolarHBondContact SG-O 3.03Å; C642-C653 CovalentContact SG-SG 2.04Å; C642-C653 PolarHBondContact SG-SG 2.88Å; T648-C653 HydrophobicContact CG2-CB 3.94Å; N649-C653 VanDerWaalsContact O-CB 3.29Å; N649-C653 WeakPolarHBondContact O-CB 3.36Å; N649-C653 PolarHBondContact O-N 3.36Å; E651-C653 VanDerWaalsContact C-N 3.31Å; E651-C653 PolarHBondContact O-N 3.44Å; C653-M657 VanDerWaalsContact O-CB 3.27Å; C653-M657 WeakPolarHBondContact O-CB 3.35Å; C653-M657 WeakPolarHBondContact O-CG 3.36Å; C653-M657 PolarHBondContact O-N 2.99Å; C653-F682 HydrophobicContact CB-CE1 4.3Å; C653-F682 HydrophobicContact CB-CE2 4.19Å; C653-F682 HydrophobicContact CB-CZ 3.76Å; C653-F682 WeakPolarHBondContact SG-CE2 3.48Å; C653-F682 VanDerWaalsContact SG-CZ 3.53Å; C653-M690 HydrophobicContact CB-CE 3.97Å
654	V	98.9	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-48.9	168.5	170	0	0	0	0	111	E650 E651 L652 W656 M657 Q658 A686 A689 M690 L789	E650-V654 VanDerWaalsContact O-CG2 3.27Å; E650-V654 WeakPolarHBondContact O-CG2 3.48Å; E650-V654 PolarHBondContact O-N 2.69Å; E651-V654 PolarHBondContact O-N 2.72Å; L652-V654 PolarHBondContact O-N 3.46Å; V654-W656 VanDerWaalsContact C-N 3.33Å; V654-W656 PolarHBondContact O-N 2.86Å; V654-M657 PolarHBondContact O-N 3.35Å; V654-Q658 WeakPolarHBondContact O-CB 3.22Å; V654-Q658 WeakPolarHBondContact O-CG 3.42Å; V654-Q658 PolarHBondContact O-N 2.82Å; V654-A686 HydrophobicContact CG2-CB 3.41Å; V654-A686 VanDerWaalsContact CG2-CB 3.41Å; V654-A689 HydrophobicContact CG1-CB 3.8Å; V654-M690 HydrophobicContact CB-CE 4.49Å; V654-M690 HydrophobicContact CG2-CE 3.8Å; V654-M690 HydrophobicContact CG2-CG 4.35Å; V654-L789 HydrophobicContact CB-CD1 3.99Å; V654-L789 HydrophobicContact CB-CG 4.45Å; V654-L789 HydrophobicContact CG1-CD1 3.76Å; V654-L789 HydrophobicContact CG1-CG 4.01Å; V654-L789 VanDerWaalsContact CG1-O 3.26Å; V654-L789 WeakPolarHBondContact CG1-O 3.29Å
655	R	98.9	Very high	98.7	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-36.8	179.3	-64.2	-45.9	-164.3	176	5.3	112.5	W616 L619 E651 L652 Q658 L659 A755 A787 P788 L789 T791	W616-R655 HydrophobicContact CH2-CB 4.1Å; W616-R655 HydrophobicContact CH2-CG 3.55Å; W616-R655 HydrophobicContact CZ3-CB 3.98Å; W616-R655 HydrophobicContact CZ3-CG 3.74Å; L619-R655 HydrophobicContact CD2-CB 4.15Å; E651-R655 PolarHBondContact O-N 2.95Å; L652-R655 PolarHBondContact O-N 3.01Å; R655-Q658 WeakPolarHBondContact O-CB 3.43Å; R655-Q658 PolarHBondContact O-N 3.37Å; R655-L659 PolarHBondContact O-N 3.08Å; R655-A755 PolarHBondContact NH2-O 3.38Å; R655-A787 PolarHBondContact NH2-O 2.87Å; R655-P788 PolarHBondContact NH1-O 2.99Å; R655-P788 PolarHBondContact NH2-O 2.81Å; R655-L789 PolarHBondContact NH1-O 3.41Å; R655-T791 PolarHBondContact NH1-O 3.29Å
656	W	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.6	-39.2	176.6	-144.7	-32.7	0	0	0	112.3	V612 R613 Q618 L619 I641 C642 L652 V654 Q658 L659 G660 Y663	V612-W656 HydrophobicContact CG2-CH2 4.17Å; V612-W656 HydrophobicContact CG2-CZ2 4.14Å; R613-W656 WeakPolarHBondContact O-CH2 3.45Å; Q618-W656 HydrophobicContact CB-CH2 3.78Å; L619-W656 HydrophobicContact CB-CD2 4.3Å; L619-W656 HydrophobicContact CB-CE3 4.14Å; L619-W656 HydrophobicContact CB-CZ3 4.3Å; L619-W656 HydrophobicContact CD1-CB 3.69Å; L619-W656 HydrophobicContact CD1-CD2 3.57Å; L619-W656 HydrophobicContact CD1-CE3 4.12Å; L619-W656 HydrophobicContact CD1-CG 3.36Å; I641-W656 HydrophobicContact CG2-CB 4.09Å; I641-W656 HydrophobicContact CG2-CG 4.12Å; C642-W656 VanDerWaalsContact C-CE3 3.41Å; C642-W656 VanDerWaalsContact N-CD2 3.29Å; L652-W656 HydrophobicContact CD1-CE3 3.98Å; L652-W656 HydrophobicContact CD1-CZ3 4.47Å; L652-W656 HydrophobicContact CD2-CE3 4.47Å; L652-W656 HydrophobicContact CG-CE3 4.16Å; L652-W656 WeakPolarHBondContact O-CB 3.3Å; L652-W656 PolarHBondContact O-N 2.9Å; V654-W656 VanDerWaalsContact C-N 3.33Å; V654-W656 PolarHBondContact O-N 2.86Å; W656-Q658 VanDerWaalsContact C-N 3.28Å; W656-Q658 PolarHBondContact O-N 3.15Å; W656-L659 PolarHBondContact O-N 2.94Å; W656-G660 WeakPolarHBondContact O-CA 3.42Å; W656-G660 PolarHBondContact O-N 2.93Å; W656-Y663 AromaticContact NE1-CE2 3.92Å; W656-Y663 AromaticContact NE1-CZ 3.87Å; W656-Y663 PolarHBondContact NE1-OH 3.3Å
657	M	98.9	Very high	98.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-34.2	171.9	-74.7	-68.4	-59.5	0	0	111.9	F366 I641 C653 V654 A661 M666 P679 M690 L694	F366-M657 HydrophobicContact CE2-CE 4.05Å; F366-M657 HydrophobicContact CE2-SD 4.27Å; F366-M657 HydrophobicContact CZ-CE 3.94Å; F366-M657 HydrophobicContact CZ-SD 4.21Å; I641-M657 HydrophobicContact CG2-CB 4.49Å; I641-M657 HydrophobicContact CG2-CG 3.94Å; I641-M657 HydrophobicContact CG2-SD 3.5Å; I641-M657 VanDerWaalsContact CG2-SD 3.5Å; C653-M657 VanDerWaalsContact O-CB 3.27Å; C653-M657 WeakPolarHBondContact O-CB 3.35Å; C653-M657 WeakPolarHBondContact O-CG 3.36Å; C653-M657 PolarHBondContact O-N 2.99Å; V654-M657 PolarHBondContact O-N 3.35Å; M657-A661 WeakPolarHBondContact O-CB 3.45Å; M657-A661 PolarHBondContact O-N 3.06Å; M657-A661 VanDerWaalsContact O-N 3.15Å; M657-M666 HydrophobicContact CE-CE 3.91Å; M657-M666 HydrophobicContact SD-CE 4.44Å; M657-P679 HydrophobicContact CE-CG 3.79Å; M657-P679 HydrophobicContact SD-CG 4.22Å; M657-M690 HydrophobicContact CB-CB 4.35Å; M657-M690 HydrophobicContact CB-CG 3.83Å; M657-M690 HydrophobicContact CG-CE 4.19Å; M657-M690 HydrophobicContact CG-CG 3.89Å; M657-M690 HydrophobicContact CG-SD 4.16Å; M657-L694 HydrophobicContact CE-CD1 3.71Å; M657-L694 HydrophobicContact CE-CD2 4.22Å; M657-L694 HydrophobicContact CE-CG 3.92Å
658	Q	98.9	Very high	98.9	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-64.8	-51.6	172.2	-82.6	170.9	-12.2	0	0	112.5	V654 R655 W656 F662 A693 L789 E790 I792	V654-Q658 WeakPolarHBondContact O-CB 3.22Å; V654-Q658 WeakPolarHBondContact O-CG 3.42Å; V654-Q658 PolarHBondContact O-N 2.82Å; R655-Q658 WeakPolarHBondContact O-CB 3.43Å; R655-Q658 PolarHBondContact O-N 3.37Å; W656-Q658 VanDerWaalsContact C-N 3.28Å; W656-Q658 PolarHBondContact O-N 3.15Å; Q658-F662 WeakPolarHBondContact O-CD2 3.44Å; Q658-A693 HydrophobicContact CG-CB 4.34Å; Q658-L789 PolarHBondContact NE2-O 3.44Å; Q658-E790 PolarHBondContact NE2-O 3.39Å; Q658-I792 HydrophobicContact CB-CB 4Å; Q658-I792 HydrophobicContact CB-CD1 4.16Å; Q658-I792 HydrophobicContact CB-CG2 4.11Å; Q658-I792 HydrophobicContact CG-CB 4.2Å; Q658-I792 HydrophobicContact CG-CG2 4.13Å; Q658-I792 WeakPolarHBondContact O-CD1 3.17Å
659	L	98.9	Very high	98.9	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-64.7	-49.4	177.3	171.7	57.3	0	0	0	111.6	L619 I623 R655 W656 A661 F662 Y663 F739 P749 L751	L619-L659 HydrophobicContact CD1-CB 4.36Å; L619-L659 HydrophobicContact CD1-CD2 3.68Å; L619-L659 HydrophobicContact CG-CD2 4.28Å; I623-L659 HydrophobicContact CD1-CD1 4.09Å; I623-L659 HydrophobicContact CD1-CD2 4.09Å; I623-L659 HydrophobicContact CG1-CD1 4.11Å; I623-L659 HydrophobicContact CG1-CD2 3.89Å; R655-L659 PolarHBondContact O-N 3.08Å; W656-L659 PolarHBondContact O-N 2.94Å; L659-A661 PolarHBondContact O-N 2.97Å; L659-F662 WeakPolarHBondContact O-CA 3.37Å; L659-F662 WeakPolarHBondContact O-CB 3.48Å; L659-F662 PolarHBondContact O-N 3.05Å; L659-Y663 HydrophobicContact CD1-CE1 4.29Å; L659-Y663 HydrophobicContact CD2-CE1 4.2Å; L659-Y663 HydrophobicContact CG-CE1 3.84Å; L659-F739 HydrophobicContact CD1-CE1 3.64Å; L659-F739 HydrophobicContact CD1-CZ 4.15Å; L659-P749 HydrophobicContact CB-CB 4.36Å; L659-P749 HydrophobicContact CD1-CB 4.07Å; L659-P749 HydrophobicContact CD1-CG 4.04Å; L659-L751 HydrophobicContact CD2-CD2 4.1Å
660	G	98.9	Very high	98.9	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.9	-24	-175.5	0	0	0	0	0	113.8	W656 F662 Y663 M666	W656-G660 WeakPolarHBondContact O-CA 3.42Å; W656-G660 PolarHBondContact O-N 2.93Å; G660-F662 PolarHBondContact O-N 3.03Å; G660-Y663 PolarHBondContact O-N 2.83Å; G660-M666 VanDerWaalsContact O-CG 3.3Å; G660-M666 WeakPolarHBondContact O-CG 3.48Å
661	A	98.9	Very high	98.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.8	167.3	0	0	0	0	0	113	M657 L659 M666 A693 R697	M657-A661 WeakPolarHBondContact O-CB 3.45Å; M657-A661 PolarHBondContact O-N 3.06Å; M657-A661 VanDerWaalsContact O-N 3.15Å; L659-A661 PolarHBondContact O-N 2.97Å; A661-M666 HydrophobicContact CB-CE 4.14Å; A661-A693 HydrophobicContact CB-CB 4.01Å; A661-R697 HydrophobicContact CB-CB 4.28Å; A661-R697 WeakPolarHBondContact O-CD 3.44Å; A661-R697 WeakPolarHBondContact O-CG 3.46Å; A661-R697 PolarHBondContact O-NH1 3.24Å
662	F	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	5.4	176.8	-59.9	-80.4	0	0	0	114.8	Q658 L659 G660 L696 L700 F739 W741 L745 I747 I792 V794	Q658-F662 WeakPolarHBondContact O-CD2 3.44Å; L659-F662 WeakPolarHBondContact O-CA 3.37Å; L659-F662 WeakPolarHBondContact O-CB 3.48Å; L659-F662 PolarHBondContact O-N 3.05Å; G660-F662 PolarHBondContact O-N 3.03Å; F662-L696 HydrophobicContact CZ-CD2 3.83Å; F662-L696 HydrophobicContact CZ-CG 4.28Å; F662-L700 HydrophobicContact CE1-CD1 3.94Å; F662-F739 HydrophobicContact CB-CE2 3.99Å; F662-F739 HydrophobicContact CB-CZ 3.6Å; F662-F739 WeakPolarHBondContact O-CE2 3.43Å; F662-W741 VanDerWaalsContact CA-CZ2 3.45Å; F662-W741 HydrophobicContact CB-CZ2 4.2Å; F662-W741 HydrophobicContact CD1-CD2 4.35Å; F662-W741 HydrophobicContact CD1-CE3 4.26Å; F662-W741 HydrophobicContact CD1-CH2 4.11Å; F662-W741 HydrophobicContact CD1-CZ2 4.22Å; F662-W741 HydrophobicContact CD1-CZ3 4.14Å; F662-W741 VanDerWaalsContact O-CE2 3.3Å; F662-W741 WeakPolarHBondContact O-CZ2 3.37Å; F662-W741 PolarHBondContact O-NE1 3.47Å; F662-L745 HydrophobicContact CE1-CD2 4.34Å; F662-I747 HydrophobicContact CB-CG1 3.89Å; F662-I747 HydrophobicContact CB-CG2 4.32Å; F662-I747 HydrophobicContact CD1-CD1 4.19Å; F662-I747 HydrophobicContact CD1-CG1 3.64Å; F662-I747 HydrophobicContact CD2-CG1 4.2Å; F662-I747 HydrophobicContact CD2-CG2 4.05Å; F662-I747 HydrophobicContact CE1-CG1 4.24Å; F662-I747 HydrophobicContact CG-CG1 3.62Å; F662-I747 HydrophobicContact CG-CG2 4.17Å; F662-I792 HydrophobicContact CD2-CD1 4.07Å; F662-I792 HydrophobicContact CE2-CD1 4.15Å; F662-I792 HydrophobicContact CE2-CG2 4.15Å; F662-V794 HydrophobicContact CE1-CG1 4.36Å; F662-V794 HydrophobicContact CE1-CG2 4.27Å; F662-V794 HydrophobicContact CE2-CG2 3.85Å; F662-V794 HydrophobicContact CZ-CG1 4.37Å; F662-V794 HydrophobicContact CZ-CG2 3.56Å
663	Y	98.9	Very high	98.5	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	6%	0.063	C	C	.	.	S	Bend	trans	-68.7	138.7	161.9	-62.6	-26.5	0	0	0	109.3	S622 V626 A639 I641 W656 L659 G660 F665 R697	S622-Y663 WeakPolarHBondContact CB-OH 3.26Å; S622-Y663 PolarHBondContact OG-OH 3.44Å; V626-Y663 HydrophobicContact CG2-CD1 3.97Å; V626-Y663 HydrophobicContact CG2-CE1 4.24Å; V626-Y663 HydrophobicContact CG2-CG 4.48Å; A639-Y663 HydrophobicContact CB-CE2 3.93Å; A639-Y663 WeakPolarHBondContact O-CE2 3.49Å; I641-Y663 HydrophobicContact CD1-CD2 4.31Å; I641-Y663 HydrophobicContact CG1-CD2 4.13Å; I641-Y663 HydrophobicContact CG1-CE2 3.89Å; W656-Y663 AromaticContact NE1-CE2 3.92Å; W656-Y663 AromaticContact NE1-CZ 3.87Å; W656-Y663 PolarHBondContact NE1-OH 3.3Å; L659-Y663 HydrophobicContact CD1-CE1 4.29Å; L659-Y663 HydrophobicContact CD2-CE1 4.2Å; L659-Y663 HydrophobicContact CG-CE1 3.84Å; G660-Y663 PolarHBondContact O-N 2.83Å; Y663-F665 VanDerWaalsContact C-N 3.31Å; Y663-F665 WeakPolarHBondContact CB-O 3.45Å; Y663-F665 PolarHBondContact O-N 3.44Å; Y663-R697 PolarHBondContact O-NH1 2.85Å; Y663-R697 PolarHBondContact O-NH2 2.9Å
664	P	98.9	Very high	98.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-54.7	-44.6	174.4	-28.6	35.2	0	0	0	113.3	P635 V637 R697 F708 V718 A719	P635-P664 WeakPolarHBondContact O-CB 3.43Å; P635-P664 VanDerWaalsContact O-CG 3.3Å; P635-P664 WeakPolarHBondContact O-CG 3.43Å; V637-P664 VanDerWaalsContact O-CD 3.31Å; V637-P664 WeakPolarHBondContact O-CD 3.41Å; P664-R697 PolarHBondContact O-NH2 3.47Å; P664-F708 HydrophobicContact CB-CE2 4.14Å; P664-F708 HydrophobicContact CB-CZ 3.78Å; P664-V718 HydrophobicContact CB-CG1 4.41Å; P664-V718 HydrophobicContact CG-CG1 4.24Å; P664-A719 HydrophobicContact CG-CB 3.74Å
665	F	98.9	Very high	98.4	Very high	2 Å²	2	15 Å²	15	1%	0.009	9%	0.087	C	C	.	.	S	Bend	trans	-99.8	127.9	166.8	173.1	-116.4	0	0	0	110.3	H367 W397 F591 L593 W608 L636 V637 G638 Y663 R667	H367-F665 AromaticContact CE1-CE2 3.75Å; H367-F665 AromaticContact CG-CE2 3.96Å; H367-F665 AromaticContact ND1-CE2 3.69Å; W397-F665 AromaticContact CH2-CZ 3.99Å; W397-F665 HydrophobicContact CH2-CZ 3.99Å; W397-F665 HydrophobicContact CZ2-CE2 4.24Å; W397-F665 HydrophobicContact CZ2-CZ 4.01Å; F591-F665 HydrophobicContact CE2-CD2 4.5Å; F591-F665 HydrophobicContact CE2-CE2 4.33Å; F591-F665 HydrophobicContact CZ-CD2 4.31Å; F591-F665 AromaticContact CZ-CE2 3.76Å; F591-F665 HydrophobicContact CZ-CE2 3.76Å; F591-F665 HydrophobicContact CZ-CZ 4.41Å; L593-F665 HydrophobicContact CD1-CD1 3.89Å; L593-F665 HydrophobicContact CD1-CE1 3.67Å; L593-F665 HydrophobicContact CD1-CE2 4.37Å; L593-F665 HydrophobicContact CD1-CG 4.34Å; L593-F665 HydrophobicContact CD1-CZ 3.92Å; L593-F665 HydrophobicContact CD2-CE1 3.66Å; L593-F665 HydrophobicContact CD2-CZ 3.71Å; L593-F665 HydrophobicContact CG-CE1 4.34Å; L593-F665 HydrophobicContact CG-CZ 4.43Å; W608-F665 HydrophobicContact CB-CE1 4.37Å; L636-F665 HydrophobicContact CD1-CB 3.92Å; L636-F665 HydrophobicContact CG-CB 4.22Å; V637-F665 PolarHBondContact O-N 2.85Å; G638-F665 WeakPolarHBondContact CA-O 3.36Å; Y663-F665 VanDerWaalsContact C-N 3.31Å; Y663-F665 WeakPolarHBondContact CB-O 3.45Å; Y663-F665 PolarHBondContact O-N 3.44Å; F665-R667 HydrophobicContact CE1-CB 3.72Å; F665-R667 HydrophobicContact CE2-CB 4.5Å; F665-R667 HydrophobicContact CZ-CB 3.67Å; F665-R667 HydrophobicContact CZ-CG 4.39Å
666	M	98.9	Very high	98.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.			trans	-121.1	99.7	-173.8	-171.5	-168.5	-174.8	0	0	112.1	F366 H367 I641 M657 G660 A661 L694 R697	F366-M666 HydrophobicContact CB-SD 4.41Å; F366-M666 HydrophobicContact CD2-CE 3.74Å; F366-M666 HydrophobicContact CD2-CG 3.78Å; F366-M666 HydrophobicContact CD2-SD 3.61Å; F366-M666 HydrophobicContact CE2-CE 3.92Å; F366-M666 HydrophobicContact CE2-CG 4.28Å; F366-M666 HydrophobicContact CE2-SD 4.34Å; F366-M666 HydrophobicContact CG-SD 4.41Å; H367-M666 WeakPolarHBondContact CB-O 3.47Å; H367-M666 PolarHBondContact N-O 3.02Å; I641-M666 HydrophobicContact CD1-CB 4.42Å; I641-M666 HydrophobicContact CD1-CE 3.87Å; I641-M666 HydrophobicContact CD1-CG 3.37Å; M657-M666 HydrophobicContact CE-CE 3.91Å; M657-M666 HydrophobicContact SD-CE 4.44Å; G660-M666 VanDerWaalsContact O-CG 3.3Å; G660-M666 WeakPolarHBondContact O-CG 3.48Å; A661-M666 HydrophobicContact CB-CE 4.14Å; M666-L694 HydrophobicContact CE-CD2 3.51Å; M666-L694 HydrophobicContact CE-CG 4.31Å; M666-L694 HydrophobicContact SD-CD2 3.71Å; M666-R697 WeakPolarHBondContact SD-CD 3.42Å
667	R	98.9	Very high	98.3	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.3	175.5	-172.4	176.9	76.3	162.9	6.2	111.7	H367 C369 D640 I641 F665 H669	H367-R667 HydrophobicContact CB-CB 3.98Å; H367-R667 HydrophobicContact CB-CG 4Å; H367-R667 WeakPolarHBondContact O-CA 3.32Å; C369-R667 HydrophobicContact CB-CG 4.45Å; D640-R667 VanDerWaalsContact CG-NH2 3.26Å; D640-R667 IonicContact OD1-CZ 3.58Å; D640-R667 VanDerWaalsContact OD1-CZ 3.26Å; D640-R667 IonicContact OD1-NE 3.51Å; D640-R667 PolarHBondContact OD1-NE 3.44Å; D640-R667 IonicContact OD1-NH2 2.7Å; D640-R667 PolarHBondContact OD1-NH2 3.41Å; D640-R667 IonicContact OD2-CZ 2.81Å; D640-R667 IonicContact OD2-NH2 3.52Å; D640-R667 PolarHBondContact OD2-NH2 3Å; I641-R667 WeakPolarHBondContact CB-O 3.47Å; I641-R667 VanDerWaalsContact CG1-O 3.28Å; I641-R667 WeakPolarHBondContact CG1-O 3.38Å; I641-R667 PolarHBondContact N-O 3.49Å; F665-R667 HydrophobicContact CE1-CB 3.72Å; F665-R667 HydrophobicContact CE2-CB 4.5Å; F665-R667 HydrophobicContact CZ-CB 3.67Å; F665-R667 HydrophobicContact CZ-CG 4.39Å; R667-H669 HydrophobicContact CG-CB 4.22Å; R667-H669 PolarHBondContact NH2-CD2 3.04Å; R667-H669 VanDerWaalsContact NH2-CD2 3.29Å
668	N	98.9	Very high	98.3	Very high	2 Å²	2	19 Å²	19	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.4	157.2	177.8	-54.6	0	0	0	107.4	F366 H367 L368 C369 I641 Q677	F366-N668 HydrophobicContact CE2-CB 3.96Å; F366-N668 HydrophobicContact CZ-CB 3.64Å; H367-N668 PolarHBondContact O-N 3.25Å; L368-N668 HydrophobicContact CD1-CB 3.87Å; C369-N668 PolarHBondContact N-O 2.73Å; I641-N668 HydrophobicContact CB-CB 4.28Å; I641-N668 PolarHBondContact O-ND2 3.22Å; N668-Q677 PolarHBondContact ND2-O 2.85Å
669	H	98.8	Very high	98.3	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.014	11%	0.111	C	C	.	.			trans	-139.7	159.3	178.7	-178.4	55.6	0	0	0	108	C369 R370 D399 W511 D640 F644 R667 Q677	C369-H669 HydrophobicContact CB-CB 4.09Å; C369-H669 WeakPolarHBondContact CB-ND1 3.38Å; C369-H669 WeakPolarHBondContact O-CA 3.43Å; C369-H669 VanDerWaalsContact SG-CE1 3.59Å; C369-H669 PolarHBondContact SG-ND1 2.78Å; R370-H669 WeakPolarHBondContact CA-ND1 3.25Å; D399-H669 IonicContact OD2-CE1 3.07Å; D399-H669 PolarHBondContact OD2-CE1 2.84Å; D399-H669 IonicContact OD2-NE2 3.84Å; W511-H669 AromaticContact CH2-CE1 3.57Å; W511-H669 AromaticContact CH2-NE2 3.51Å; D640-H669 HydrophobicContact CB-CB 4.14Å; D640-H669 VanDerWaalsContact OD1-CB 3.31Å; D640-H669 WeakPolarHBondContact OD1-CB 3.48Å; D640-H669 IonicContact OD2-CD2 3.52Å; D640-H669 PolarHBondContact OD2-CD2 2.8Å; D640-H669 IonicContact OD2-CG 2.77Å; F644-H669 AromaticContact CD2-CD2 3.33Å; F644-H669 WeakPolarHBondContact CD2-CD2 3.12Å; F644-H669 AromaticContact CD2-NE2 3.59Å; F644-H669 AromaticContact CE2-CD2 3.59Å; F644-H669 AromaticContact CE2-NE2 3.28Å; F644-H669 VanDerWaalsContact CE2-NE2 3.28Å; F644-H669 WeakPolarHBondContact CE2-NE2 3.48Å; R667-H669 HydrophobicContact CG-CB 4.22Å; R667-H669 PolarHBondContact NH2-CD2 3.04Å; R667-H669 VanDerWaalsContact NH2-CD2 3.29Å; H669-Q677 PolarHBondContact O-NE2 2.9Å
670	N	98.6	Very high	98.3	Very high	2 Å²	2	20 Å²	20	1%	0.011	12%	0.117	C	C	.	.			trans	-158	140.5	-167.7	-169.6	12.5	0	0	0	109.9	R370 W371 N674 A675 Q677	R370-N670 WeakPolarHBondContact CA-O 3.37Å; R370-N670 HydrophobicContact CB-CB 4Å; R370-N670 WeakPolarHBondContact CB-O 3.44Å; W371-N670 PolarHBondContact N-O 2.75Å; N670-N674 WeakPolarHBondContact OD1-CB 3.49Å; N670-N674 PolarHBondContact OD1-ND2 2.91Å; N670-A675 PolarHBondContact ND2-O 3.18Å; N670-Q677 HydrophobicContact CB-CG 4.01Å
671	D	97.7	Very high	98.2	Very high	30 Å²	30	22.9 Å²	22.9	16%	0.16	13%	0.134	C	C	.	.			trans	-69.6	160.9	174.9	-172.5	21.5	0	0	0	111.9	R370 F644 P673	R370-D671 PolarHBondContact NH2-O 2.8Å; F644-D671 HydrophobicContact CD1-CB 4.28Å; F644-D671 HydrophobicContact CD2-CB 4.17Å; F644-D671 HydrophobicContact CE1-CB 3.94Å; F644-D671 HydrophobicContact CE2-CB 3.81Å; F644-D671 HydrophobicContact CG-CB 4.4Å; F644-D671 HydrophobicContact CZ-CB 3.69Å; F644-D671 VanDerWaalsContact O-CB 3.25Å; F644-D671 WeakPolarHBondContact O-CB 3.49Å; F644-D671 PolarHBondContact O-N 3.46Å; F644-D671 VanDerWaalsContact O-N 3.12Å; D671-P673 VanDerWaalsContact C-CD 3.45Å; D671-P673 WeakPolarHBondContact OD1-CD 3.35Å; D671-P673 WeakPolarHBondContact OD2-CD 3.47Å; D671-P673 VanDerWaalsContact OD2-CG 3.31Å; D671-P673 WeakPolarHBondContact OD2-CG 3.29Å
672	K	94.8	Very high	98.2	Very high	96 Å²	96	24.2 Å²	24.2	42%	0.417	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-39.1	-176	-174.1	169.5	-176	159.7	0	116.7	W371 N674	W371-K672 HydrophobicContact CB-CB 4.02Å; W371-K672 HydrophobicContact CD2-CB 3.71Å; W371-K672 HydrophobicContact CD2-CD 4.03Å; W371-K672 HydrophobicContact CD2-CG 4.49Å; W371-K672 HydrophobicContact CE3-CB 3.89Å; W371-K672 HydrophobicContact CG-CB 3.77Å; W371-K672 HydrophobicContact CG-CD 4.22Å; W371-K672 HydrophobicContact CG-CG 4.45Å; W371-K672 HydrophobicContact CZ2-CD 4.26Å; W371-K672 WeakPolarHBondContact O-CA 3.43Å; K672-N674 VanDerWaalsContact C-N 3.28Å
673	P	96	Very high	98.2	Very high	102 Å²	102	25.7 Å²	25.7	66%	0.662	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.5	-177.9	34.1	-31.9	0	0	0	112.5	D671	D671-P673 VanDerWaalsContact C-CD 3.45Å; D671-P673 WeakPolarHBondContact OD1-CD 3.35Å; D671-P673 WeakPolarHBondContact OD2-CD 3.47Å; D671-P673 VanDerWaalsContact OD2-CG 3.31Å; D671-P673 WeakPolarHBondContact OD2-CG 3.29Å
674	N	96.8	Very high	98.2	Very high	17 Å²	17	32.2 Å²	32.2	9%	0.091	19%	0.186	C	C	.	.	S	Bend	trans	-79.5	154.8	-172.1	-65.1	-17.1	0	0	0	113.6	R370 F644 G646 N647 N670 K672	R370-N674 PolarHBondContact NH2-O 2.99Å; F644-N674 PolarHBondContact O-ND2 2.71Å; G646-N674 VanDerWaalsContact CA-OD1 3.29Å; G646-N674 WeakPolarHBondContact CA-OD1 3.37Å; G646-N674 PolarHBondContact N-ND2 3.48Å; G646-N674 PolarHBondContact N-OD1 2.95Å; G646-N674 PolarHBondContact O-ND2 3.47Å; G646-N674 VanDerWaalsContact O-ND2 3.11Å; N647-N674 WeakPolarHBondContact OD1-CA 3.32Å; N670-N674 WeakPolarHBondContact OD1-CB 3.49Å; N670-N674 PolarHBondContact OD1-ND2 2.91Å; K672-N674 VanDerWaalsContact C-N 3.28Å
675	A	98.1	Very high	98.1	Very high	49 Å²	49	41.1 Å²	41.1	41%	0.405	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-54.4	146.9	167.4	0	0	0	0	0	111.4	N647 N670	N647-A675 WeakPolarHBondContact OD1-CB 3.42Å; N647-A675 PolarHBondContact OD1-N 3.33Å; N670-A675 PolarHBondContact ND2-O 3.18Å
676	P	98.3	Very high	98.1	Very high	73 Å²	73	41.1 Å²	41.1	47%	0.474	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-52.8	141.4	169.7	-24.7	35.4	0	0	0	112.1	E678 V681	P676-E678 WeakPolarHBondContact CA-OE2 3.35Å; P676-E678 WeakPolarHBondContact CB-OE2 3.23Å; P676-V681 HydrophobicContact CB-CG1 3.98Å
677	Q	98.7	Very high	98.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.228	C	C	.	.			trans	-142.2	17.4	-179.3	74.9	-174.8	12.5	0	0	113.7	C642 G643 T648 N668 H669 N670 F682	C642-Q677 HydrophobicContact CB-CG 4.49Å; G643-Q677 PolarHBondContact O-NE2 3.33Å; T648-Q677 HydrophobicContact CG2-CB 3.73Å; N668-Q677 PolarHBondContact ND2-O 2.85Å; H669-Q677 PolarHBondContact O-NE2 2.9Å; N670-Q677 HydrophobicContact CB-CG 4.01Å; Q677-F682 HydrophobicContact CB-CE2 4.4Å; Q677-F682 HydrophobicContact CB-CZ 4.09Å
678	E	98.8	Very high	98.1	Very high	14 Å²	14	44 Å²	44	7%	0.065	25%	0.247	C	C	.	.	S	Bend	trans	-63.1	135.2	170.2	-51.4	84.8	161.3	0	0	108.6	L368 R370 Y373 V382 P676 F680 V681	L368-E678 HydrophobicContact CD1-CB 4.45Å; L368-E678 HydrophobicContact CD1-CG 4.26Å; L368-E678 HydrophobicContact CD2-CB 4.16Å; L368-E678 HydrophobicContact CD2-CG 4.08Å; R370-E678 IonicContact NH1-OE1 3.19Å; Y373-E678 WeakPolarHBondContact CE1-OE1 3.2Å; Y373-E678 VanDerWaalsContact OH-CG 3.25Å; Y373-E678 WeakPolarHBondContact OH-CG 3.34Å; Y373-E678 PolarHBondContact OH-OE1 2.89Å; V382-E678 HydrophobicContact CG1-CG 4.37Å; P676-E678 WeakPolarHBondContact CA-OE2 3.35Å; P676-E678 WeakPolarHBondContact CB-OE2 3.23Å; E678-F680 HydrophobicContact CB-CD1 4.07Å; E678-F680 HydrophobicContact CB-CE1 3.55Å; E678-F680 HydrophobicContact CB-CE2 4.13Å; E678-F680 HydrophobicContact CB-CZ 3.57Å; E678-F680 HydrophobicContact CG-CE1 4.16Å; E678-F680 HydrophobicContact CG-CZ 3.92Å; E678-F680 PolarHBondContact O-N 3.41Å; E678-V681 HydrophobicContact CB-CG1 4.35Å; E678-V681 WeakPolarHBondContact O-CG1 3.45Å; E678-V681 VanDerWaalsContact O-CG2 3.32Å; E678-V681 WeakPolarHBondContact O-CG2 3.48Å; E678-V681 PolarHBondContact O-N 3.44Å
679	P	98.7	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-49.4	-30.2	-170.3	-34.2	36.7	0	0	0	116.6	F366 M386 F391 M657 V681 Q687 M690	F366-P679 HydrophobicContact CE1-CG 4.39Å; F366-P679 HydrophobicContact CZ-CG 4.4Å; M386-P679 HydrophobicContact CE-CG 4.24Å; M386-P679 HydrophobicContact SD-CB 4.31Å; M386-P679 HydrophobicContact SD-CG 4.25Å; F391-P679 HydrophobicContact CD1-CB 4.06Å; F391-P679 HydrophobicContact CD2-CB 4.12Å; F391-P679 HydrophobicContact CE1-CB 3.71Å; F391-P679 HydrophobicContact CE2-CB 3.81Å; F391-P679 HydrophobicContact CG-CB 4.24Å; F391-P679 HydrophobicContact CZ-CB 3.57Å; M657-P679 HydrophobicContact CE-CG 3.79Å; M657-P679 HydrophobicContact SD-CG 4.22Å; P679-V681 VanDerWaalsContact C-N 3.27Å; P679-V681 PolarHBondContact O-N 2.91Å; P679-Q687 WeakPolarHBondContact O-CG 3.31Å; P679-M690 HydrophobicContact CB-SD 3.9Å; P679-M690 HydrophobicContact CG-SD 4.48Å
680	F	98.4	Very high	98.1	Very high	28 Å²	28	44.1 Å²	44.1	12%	0.123	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-70.7	-8.7	177.6	62.3	-109	0	0	0	115.8	V382 R385 M386 A389 F391 E678 Q687	V382-F680 HydrophobicContact CG1-CE1 4.21Å; V382-F680 HydrophobicContact CG1-CZ 4.46Å; R385-F680 HydrophobicContact CB-CD1 3.55Å; R385-F680 HydrophobicContact CB-CD2 3.98Å; R385-F680 HydrophobicContact CB-CE1 3.61Å; R385-F680 HydrophobicContact CB-CE2 4.05Å; R385-F680 HydrophobicContact CB-CG 3.76Å; R385-F680 HydrophobicContact CB-CZ 3.87Å; R385-F680 HydrophobicContact CG-CE2 4.48Å; M386-F680 HydrophobicContact CG-CD1 3.77Å; M386-F680 HydrophobicContact CG-CE1 3.87Å; M386-F680 HydrophobicContact SD-CD1 3.66Å; M386-F680 HydrophobicContact SD-CE1 4.14Å; A389-F680 HydrophobicContact CB-CB 4.14Å; F391-F680 HydrophobicContact CE2-CB 4.2Å; E678-F680 HydrophobicContact CB-CD1 4.07Å; E678-F680 HydrophobicContact CB-CE1 3.55Å; E678-F680 HydrophobicContact CB-CE2 4.13Å; E678-F680 HydrophobicContact CB-CZ 3.57Å; E678-F680 HydrophobicContact CG-CE1 4.16Å; E678-F680 HydrophobicContact CG-CZ 3.92Å; E678-F680 PolarHBondContact O-N 3.41Å; F680-Q687 PolarHBondContact O-NE2 3.17Å
681	V	98.4	Very high	98.1	Very high	60 Å²	60	46.6 Å²	46.6	36%	0.364	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-84.6	-20.2	-178	-50.6	0	0	0	0	113.6	P676 E678 P679	P676-V681 HydrophobicContact CB-CG1 3.98Å; E678-V681 HydrophobicContact CB-CG1 4.35Å; E678-V681 WeakPolarHBondContact O-CG1 3.45Å; E678-V681 VanDerWaalsContact O-CG2 3.32Å; E678-V681 WeakPolarHBondContact O-CG2 3.48Å; E678-V681 PolarHBondContact O-N 3.44Å; P679-V681 VanDerWaalsContact C-N 3.27Å; P679-V681 PolarHBondContact O-N 2.91Å
682	F	98.6	Very high	98.1	Very high	27 Å²	27	48.6 Å²	48.6	12%	0.118	27%	0.274	C	S	.	.	S	Bend	trans	-83.4	171.4	-175.5	-62.6	-76	0	0	0	113.3	T648 E650 C653 Q677 A686 Q687 M690	T648-F682 HydrophobicContact CG2-CZ 4.03Å; E650-F682 HydrophobicContact CB-CD1 3.83Å; E650-F682 HydrophobicContact CB-CE1 4.31Å; E650-F682 HydrophobicContact CG-CB 4.29Å; E650-F682 HydrophobicContact CG-CD1 3.93Å; E650-F682 HydrophobicContact CG-CG 4.43Å; C653-F682 HydrophobicContact CB-CE1 4.3Å; C653-F682 HydrophobicContact CB-CE2 4.19Å; C653-F682 HydrophobicContact CB-CZ 3.76Å; C653-F682 WeakPolarHBondContact SG-CE2 3.48Å; C653-F682 VanDerWaalsContact SG-CZ 3.53Å; Q677-F682 HydrophobicContact CB-CE2 4.4Å; Q677-F682 HydrophobicContact CB-CZ 4.09Å; F682-A686 HydrophobicContact CB-CB 3.92Å; F682-Q687 PolarHBondContact O-NE2 3.05Å; F682-M690 HydrophobicContact CD2-CE 3.59Å; F682-M690 HydrophobicContact CD2-SD 4Å; F682-M690 HydrophobicContact CE2-CE 3.88Å; F682-M690 HydrophobicContact CG-CE 4.09Å
683	G	98.3	Very high	98.3	Very high	32 Å²	32	44.2 Å²	44.2	33%	0.33	26%	0.256	S	S	.	.			trans	-61.2	152.4	175.8	0	0	0	0	0	113.4	E650 K685 A686 Q687	E650-G683 PolarHBondContact OE2-N 3.2Å; G683-K685 PolarHBondContact O-N 3.04Å; G683-A686 WeakPolarHBondContact O-CB 3.44Å; G683-A686 PolarHBondContact O-N 2.94Å; G683-Q687 WeakPolarHBondContact O-CG 3.41Å; G683-Q687 PolarHBondContact O-N 2.84Å
684	Q	98.3	Very high	98.5	Very high	138 Å²	138	39.4 Å²	39.4	65%	0.645	22%	0.224	S	C	*	.	H	α-helix	trans	-57.2	-28.7	-173.2	-72.8	-63.7	-51.1	0	0	114.7	A688	Q684-A688 PolarHBondContact O-N 3.06Å
685	K	98.1	Very high	98.6	Very high	187 Å²	187	41.3 Å²	41.3	81%	0.813	24%	0.235	S	C	*	.	H	α-helix	trans	-69.8	-48.4	174	-71	-173.6	174.6	-172.7	0	112	G683 Q687 A688 A689	G683-K685 PolarHBondContact O-N 3.04Å; K685-Q687 VanDerWaalsContact C-N 3.32Å; K685-Q687 PolarHBondContact O-N 3.38Å; K685-A688 WeakPolarHBondContact O-CB 3.41Å; K685-A688 PolarHBondContact O-N 3.06Å; K685-A688 VanDerWaalsContact O-N 3.17Å; K685-A689 PolarHBondContact O-N 3.21Å
686	A	98.6	Very high	98.6	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-44.1	173.4	0	0	0	0	0	111.4	E650 V654 F682 G683 A688 A689 M690	E650-A686 HydrophobicContact CG-CB 3.45Å; E650-A686 VanDerWaalsContact CG-CB 3.45Å; V654-A686 HydrophobicContact CG2-CB 3.41Å; V654-A686 VanDerWaalsContact CG2-CB 3.41Å; F682-A686 HydrophobicContact CB-CB 3.92Å; G683-A686 WeakPolarHBondContact O-CB 3.44Å; G683-A686 PolarHBondContact O-N 2.94Å; A686-A688 VanDerWaalsContact C-N 3.3Å; A686-A688 PolarHBondContact O-N 3.2Å; A686-A689 PolarHBondContact O-N 3.48Å; A686-M690 WeakPolarHBondContact O-CB 3.18Å; A686-M690 VanDerWaalsContact O-CG 3.26Å; A686-M690 WeakPolarHBondContact O-CG 3.28Å; A686-M690 PolarHBondContact O-N 3.22Å
687	Q	98.8	Very high	98.6	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-42	174.1	-66.6	-166.1	21.9	0	0	112.7	F391 P679 F680 F682 G683 K685 R691	F391-Q687 WeakPolarHBondContact CE1-O 3.42Å; F391-Q687 HydrophobicContact CE2-CB 4.49Å; F391-Q687 HydrophobicContact CE2-CG 4.43Å; F391-Q687 HydrophobicContact CZ-CB 3.79Å; F391-Q687 HydrophobicContact CZ-CG 4.04Å; P679-Q687 WeakPolarHBondContact O-CG 3.31Å; F680-Q687 PolarHBondContact O-NE2 3.17Å; F682-Q687 PolarHBondContact O-NE2 3.05Å; G683-Q687 WeakPolarHBondContact O-CG 3.41Å; G683-Q687 PolarHBondContact O-N 2.84Å; K685-Q687 VanDerWaalsContact C-N 3.32Å; K685-Q687 PolarHBondContact O-N 3.38Å; Q687-R691 WeakPolarHBondContact O-CB 3.34Å; Q687-R691 PolarHBondContact O-N 3.28Å
688	A	98.7	Very high	98.6	Very high	49 Å²	49	37.7 Å²	37.7	41%	0.405	20%	0.204	S	C	.	.	H	α-helix	trans	-64.7	-42.8	177.3	0	0	0	0	0	112.3	Q684 K685 A686 R691 S692	Q684-A688 PolarHBondContact O-N 3.06Å; K685-A688 WeakPolarHBondContact O-CB 3.41Å; K685-A688 PolarHBondContact O-N 3.06Å; K685-A688 VanDerWaalsContact O-N 3.17Å; A686-A688 VanDerWaalsContact C-N 3.3Å; A686-A688 PolarHBondContact O-N 3.2Å; A688-R691 PolarHBondContact O-N 3.08Å; A688-S692 WeakPolarHBondContact O-CB 3.49Å; A688-S692 PolarHBondContact O-N 3.02Å
689	A	98.7	Very high	98.6	Very high	6 Å²	6	37.6 Å²	37.6	5%	0.05	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-49.3	175.9	0	0	0	0	0	112.2	V654 K685 A686 R691 S692 A693 E790	V654-A689 HydrophobicContact CG1-CB 3.8Å; K685-A689 PolarHBondContact O-N 3.21Å; A686-A689 PolarHBondContact O-N 3.48Å; A689-R691 VanDerWaalsContact C-N 3.32Å; A689-R691 PolarHBondContact O-N 3.48Å; A689-S692 WeakPolarHBondContact O-CB 3.49Å; A689-S692 PolarHBondContact O-N 2.98Å; A689-A693 PolarHBondContact O-N 3.43Å; A689-E790 HydrophobicContact CB-CB 4.31Å
690	M	98.9	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-40.6	176.5	-66.5	174.4	176.6	0	0	112	F391 C653 V654 M657 P679 F682 A686 A693 L694	F391-M690 HydrophobicContact CE1-CB 3.94Å; C653-M690 HydrophobicContact CB-CE 3.97Å; V654-M690 HydrophobicContact CB-CE 4.49Å; V654-M690 HydrophobicContact CG2-CE 3.8Å; V654-M690 HydrophobicContact CG2-CG 4.35Å; M657-M690 HydrophobicContact CB-CB 4.35Å; M657-M690 HydrophobicContact CB-CG 3.83Å; M657-M690 HydrophobicContact CG-CE 4.19Å; M657-M690 HydrophobicContact CG-CG 3.89Å; M657-M690 HydrophobicContact CG-SD 4.16Å; P679-M690 HydrophobicContact CB-SD 3.9Å; P679-M690 HydrophobicContact CG-SD 4.48Å; F682-M690 HydrophobicContact CD2-CE 3.59Å; F682-M690 HydrophobicContact CD2-SD 4Å; F682-M690 HydrophobicContact CE2-CE 3.88Å; F682-M690 HydrophobicContact CG-CE 4.09Å; A686-M690 WeakPolarHBondContact O-CB 3.18Å; A686-M690 VanDerWaalsContact O-CG 3.26Å; A686-M690 WeakPolarHBondContact O-CG 3.28Å; A686-M690 PolarHBondContact O-N 3.22Å; M690-A693 PolarHBondContact O-N 3.35Å; M690-L694 WeakPolarHBondContact O-CG 3.39Å; M690-L694 PolarHBondContact O-N 2.91Å
691	R	98.6	Very high	98.7	Very high	54 Å²	54	36.2 Å²	36.2	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-37.2	177.7	-167.1	-173.5	-60	108.1	3.4	111.6	A389 N390 F391 Q687 A688 A689 L694 N695	A389-R691 VanDerWaalsContact O-CZ 3.26Å; A389-R691 PolarHBondContact O-NE 3.11Å; A389-R691 PolarHBondContact O-NH2 2.82Å; N390-R691 WeakPolarHBondContact O-CD 3.42Å; N390-R691 WeakPolarHBondContact O-CG 3.44Å; N390-R691 PolarHBondContact O-NE 2.98Å; F391-R691 HydrophobicContact CD1-CB 3.92Å; F391-R691 HydrophobicContact CD1-CG 4.19Å; F391-R691 HydrophobicContact CE1-CB 3.7Å; F391-R691 HydrophobicContact CE1-CG 4.41Å; Q687-R691 WeakPolarHBondContact O-CB 3.34Å; Q687-R691 PolarHBondContact O-N 3.28Å; A688-R691 PolarHBondContact O-N 3.08Å; A689-R691 VanDerWaalsContact C-N 3.32Å; A689-R691 PolarHBondContact O-N 3.48Å; R691-L694 PolarHBondContact O-N 3.43Å; R691-N695 WeakPolarHBondContact O-CB 3.37Å; R691-N695 VanDerWaalsContact O-CG 3.27Å; R691-N695 PolarHBondContact O-N 2.79Å; R691-N695 PolarHBondContact O-ND2 3.08Å
692	S	98.5	Very high	98.7	Very high	72 Å²	72	33.4 Å²	33.4	50%	0.503	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-48.8	174.3	-166.4	0	0	0	0	111.1	A688 A689 L694 N695 L696	A688-S692 WeakPolarHBondContact O-CB 3.49Å; A688-S692 PolarHBondContact O-N 3.02Å; A689-S692 WeakPolarHBondContact O-CB 3.49Å; A689-S692 PolarHBondContact O-N 2.98Å; S692-L694 PolarHBondContact O-N 3.49Å; S692-N695 PolarHBondContact O-N 3.21Å; S692-L696 WeakPolarHBondContact O-CB 3.46Å; S692-L696 PolarHBondContact O-N 3.47Å
693	A	98.8	Very high	98.7	Very high	5 Å²	5	32.8 Å²	32.8	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-44.5	177	0	0	0	0	0	112.5	Q658 A661 A689 M690 L696 R697	Q658-A693 HydrophobicContact CG-CB 4.34Å; A661-A693 HydrophobicContact CB-CB 4.01Å; A689-A693 PolarHBondContact O-N 3.43Å; M690-A693 PolarHBondContact O-N 3.35Å; A693-L696 PolarHBondContact O-N 2.98Å; A693-R697 PolarHBondContact O-N 3.25Å
694	L	98.8	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-47.3	175.5	-77.6	168.7	0	0	0	112.6	F366 F391 P392 M657 M666 M690 R691 S692 L696 R697 Y698	F366-L694 HydrophobicContact CB-CD2 3.62Å; F366-L694 HydrophobicContact CD1-CD1 4.39Å; F366-L694 HydrophobicContact CD1-CD2 4.14Å; F366-L694 HydrophobicContact CD2-CD2 3.83Å; F366-L694 HydrophobicContact CG-CD2 3.59Å; F391-L694 HydrophobicContact CB-CD1 4.4Å; F391-L694 HydrophobicContact CD1-CD1 3.8Å; P392-L694 HydrophobicContact CG-CB 4.24Å; M657-L694 HydrophobicContact CE-CD1 3.71Å; M657-L694 HydrophobicContact CE-CD2 4.22Å; M657-L694 HydrophobicContact CE-CG 3.92Å; M666-L694 HydrophobicContact CE-CD2 3.51Å; M666-L694 HydrophobicContact CE-CG 4.31Å; M666-L694 HydrophobicContact SD-CD2 3.71Å; M690-L694 WeakPolarHBondContact O-CG 3.39Å; M690-L694 PolarHBondContact O-N 2.91Å; R691-L694 PolarHBondContact O-N 3.43Å; S692-L694 PolarHBondContact O-N 3.49Å; L694-L696 VanDerWaalsContact C-N 3.28Å; L694-L696 PolarHBondContact O-N 3.4Å; L694-R697 WeakPolarHBondContact O-CB 3.33Å; L694-R697 PolarHBondContact O-N 2.87Å; L694-Y698 VanDerWaalsContact O-CD2 3.27Å; L694-Y698 WeakPolarHBondContact O-CD2 3.43Å; L694-Y698 PolarHBondContact O-N 3.19Å
695	N	98.8	Very high	98.8	Very high	57 Å²	57	24.7 Å²	24.7	31%	0.305	13%	0.133	S	C	.	.	H	α-helix	trans	-62.1	-37.5	177.3	-75.5	-16.2	0	0	0	112	P392 R691 S692 Y698 S699 P807	P392-N695 VanDerWaalsContact CG-OD1 3.27Å; P392-N695 WeakPolarHBondContact CG-OD1 3.32Å; R691-N695 WeakPolarHBondContact O-CB 3.37Å; R691-N695 VanDerWaalsContact O-CG 3.27Å; R691-N695 PolarHBondContact O-N 2.79Å; R691-N695 PolarHBondContact O-ND2 3.08Å; S692-N695 PolarHBondContact O-N 3.21Å; N695-Y698 PolarHBondContact O-N 3.44Å; N695-S699 PolarHBondContact O-N 2.95Å; N695-P807 HydrophobicContact CB-CB 4.47Å; N695-P807 HydrophobicContact CB-CG 4.16Å
696	L	98.8	Very high	98.8	Very high	46 Å²	46	16 Å²	16	24%	0.241	10%	0.095	C	C	.	.	H	α-helix	trans	-62.5	-48.5	174.8	-178.5	56.3	0	0	0	111.2	F662 S692 A693 L694 Y698 S699 L700 L770	F662-L696 HydrophobicContact CZ-CD2 3.83Å; F662-L696 HydrophobicContact CZ-CG 4.28Å; S692-L696 WeakPolarHBondContact O-CB 3.46Å; S692-L696 PolarHBondContact O-N 3.47Å; A693-L696 PolarHBondContact O-N 2.98Å; L694-L696 VanDerWaalsContact C-N 3.28Å; L694-L696 PolarHBondContact O-N 3.4Å; L696-Y698 PolarHBondContact O-N 3.25Å; L696-S699 PolarHBondContact O-N 2.69Å; L696-S699 PolarHBondContact O-OG 2.9Å; L696-L700 HydrophobicContact CD1-CD1 4.05Å; L696-L700 HydrophobicContact CD1-CG 4.49Å; L696-L700 HydrophobicContact CG-CD1 4.1Å; L696-L700 WeakPolarHBondContact O-CG 3.4Å; L696-L700 PolarHBondContact O-N 3.44Å; L696-L700 VanDerWaalsContact O-N 3.14Å; L696-L770 HydrophobicContact CD1-CD2 3.81Å
697	R	98.9	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-54.5	-52.4	172.6	178.3	-175.3	-178.9	84.6	-4.7	111.4	L364 A661 Y663 P664 M666 A693 L694 S699 L700 L701	L364-R697 VanDerWaalsContact O-CZ 3.22Å; L364-R697 PolarHBondContact O-NE 2.79Å; L364-R697 PolarHBondContact O-NH2 3.39Å; A661-R697 HydrophobicContact CB-CB 4.28Å; A661-R697 WeakPolarHBondContact O-CD 3.44Å; A661-R697 WeakPolarHBondContact O-CG 3.46Å; A661-R697 PolarHBondContact O-NH1 3.24Å; Y663-R697 PolarHBondContact O-NH1 2.85Å; Y663-R697 PolarHBondContact O-NH2 2.9Å; P664-R697 PolarHBondContact O-NH2 3.47Å; M666-R697 WeakPolarHBondContact SD-CD 3.42Å; A693-R697 PolarHBondContact O-N 3.25Å; L694-R697 WeakPolarHBondContact O-CB 3.33Å; L694-R697 PolarHBondContact O-N 2.87Å; R697-S699 PolarHBondContact O-N 3.27Å; R697-L700 CarbonylContact O-C 3.57Å; R697-L700 WeakPolarHBondContact O-CA 3.41Å; R697-L700 PolarHBondContact O-N 3.4Å; R697-L701 HydrophobicContact CG-CD2 4.2Å; R697-L701 WeakPolarHBondContact O-CG 3.33Å; R697-L701 PolarHBondContact O-N 2.91Å; R697-L701 VanDerWaalsContact O-N 3.15Å
698	Y	98.9	Very high	98.8	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-34.8	-178.4	-88.8	-110.8	0	0	0	112	G365 F366 P392 D394 L694 N695 L696 L700 L701 A808 T811	G365-Y698 WeakPolarHBondContact CA-OH 3.41Å; F366-Y698 HydrophobicContact CB-CE2 4.11Å; F366-Y698 PolarHBondContact N-OH 3.12Å; P392-Y698 HydrophobicContact CB-CD1 3.99Å; P392-Y698 HydrophobicContact CB-CD2 3.64Å; P392-Y698 HydrophobicContact CB-CE1 3.76Å; P392-Y698 HydrophobicContact CB-CE2 3.38Å; P392-Y698 HydrophobicContact CB-CG 3.92Å; P392-Y698 VanDerWaalsContact CB-CZ 3.44Å; P392-Y698 HydrophobicContact CG-CD2 4.23Å; P392-Y698 HydrophobicContact CG-CE2 4.42Å; P392-Y698 HydrophobicContact CG-CG 4.34Å; D394-Y698 PolarHBondContact N-OH 2.95Å; D394-Y698 WeakPolarHBondContact OD2-CE1 3.34Å; D394-Y698 VanDerWaalsContact OD2-CZ 3.25Å; D394-Y698 PolarHBondContact OD2-OH 3.31Å; L694-Y698 VanDerWaalsContact O-CD2 3.27Å; L694-Y698 WeakPolarHBondContact O-CD2 3.43Å; L694-Y698 PolarHBondContact O-N 3.19Å; N695-Y698 PolarHBondContact O-N 3.44Å; L696-Y698 PolarHBondContact O-N 3.25Å; Y698-L700 VanDerWaalsContact C-N 3.32Å; Y698-L700 PolarHBondContact O-N 2.81Å; Y698-L701 HydrophobicContact CD1-CD1 4.11Å; Y698-L701 HydrophobicContact CE1-CD1 4.48Å; Y698-L701 HydrophobicContact CG-CD1 4.2Å; Y698-A808 WeakPolarHBondContact CD1-O 3.42Å; Y698-T811 HydrophobicContact CE1-CG2 4.2Å
699	S	98.8	Very high	98.8	Very high	12 Å²	12	14.2 Å²	14.2	8%	0.084	8%	0.079	C	C	.	.	H	α-helix	trans	-67.2	-31.8	173.6	83.9	0	0	0	0	113.5	N695 L696 R697 P702 Q804 Q805	N695-S699 PolarHBondContact O-N 2.95Å; L696-S699 PolarHBondContact O-N 2.69Å; L696-S699 PolarHBondContact O-OG 2.9Å; R697-S699 PolarHBondContact O-N 3.27Å; S699-P702 WeakPolarHBondContact O-CD 3.17Å; S699-Q804 CarbonylContact O-C 3.56Å; S699-Q804 WeakPolarHBondContact O-CA 3.37Å; S699-Q804 VanDerWaalsContact O-CB 3.28Å; S699-Q804 WeakPolarHBondContact O-CB 3.17Å; S699-Q804 PolarHBondContact OG-NE2 3.41Å; S699-Q805 VanDerWaalsContact CA-O 3.23Å; S699-Q805 WeakPolarHBondContact CA-O 3.27Å; S699-Q805 WeakPolarHBondContact CB-O 3.2Å; S699-Q805 PolarHBondContact O-N 2.91Å
700	L	98.9	Very high	98.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-89.2	-2.2	-177.5	-69.5	166.3	0	0	0	113.6	F662 L696 R697 Y698 P702 F703 L704 W741 L745 L770 I802 Q804	F662-L700 HydrophobicContact CE1-CD1 3.94Å; L696-L700 HydrophobicContact CD1-CD1 4.05Å; L696-L700 HydrophobicContact CD1-CG 4.49Å; L696-L700 HydrophobicContact CG-CD1 4.1Å; L696-L700 WeakPolarHBondContact O-CG 3.4Å; L696-L700 PolarHBondContact O-N 3.44Å; L696-L700 VanDerWaalsContact O-N 3.14Å; R697-L700 CarbonylContact O-C 3.57Å; R697-L700 WeakPolarHBondContact O-CA 3.41Å; R697-L700 PolarHBondContact O-N 3.4Å; Y698-L700 VanDerWaalsContact C-N 3.32Å; Y698-L700 PolarHBondContact O-N 2.81Å; L700-P702 VanDerWaalsContact C-CD 3.41Å; L700-F703 WeakPolarHBondContact O-CB 3.37Å; L700-F703 PolarHBondContact O-N 3.32Å; L700-L704 PolarHBondContact O-N 2.69Å; L700-W741 HydrophobicContact CB-CZ3 4.05Å; L700-W741 HydrophobicContact CD1-CZ3 4.29Å; L700-L745 HydrophobicContact CD1-CD2 4.08Å; L700-L770 HydrophobicContact CD1-CD2 4.21Å; L700-L770 HydrophobicContact CD2-CD2 4.43Å; L700-I802 HydrophobicContact CD2-CG2 3.76Å; L700-Q804 HydrophobicContact CD2-CG 3.94Å
701	L	98.9	Very high	98.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.3	-34.7	-179	-65.9	-179.4	0	0	0	115	Y361 L364 R697 Y698 F703 L704 Y705 T811	Y361-L701 HydrophobicContact CE1-CB 3.91Å; Y361-L701 HydrophobicContact CE1-CD1 4.08Å; Y361-L701 VanDerWaalsContact OH-CB 3.25Å; Y361-L701 WeakPolarHBondContact OH-CB 3.18Å; L364-L701 HydrophobicContact CB-CD2 3.81Å; L364-L701 WeakPolarHBondContact O-CD2 3.33Å; R697-L701 HydrophobicContact CG-CD2 4.2Å; R697-L701 WeakPolarHBondContact O-CG 3.33Å; R697-L701 PolarHBondContact O-N 2.91Å; R697-L701 VanDerWaalsContact O-N 3.15Å; Y698-L701 HydrophobicContact CD1-CD1 4.11Å; Y698-L701 HydrophobicContact CE1-CD1 4.48Å; Y698-L701 HydrophobicContact CG-CD1 4.2Å; L701-F703 VanDerWaalsContact C-N 3.31Å; L701-F703 PolarHBondContact O-N 2.76Å; L701-L704 HydrophobicContact CD2-CD2 4.09Å; L701-L704 PolarHBondContact O-N 3.06Å; L701-Y705 WeakPolarHBondContact O-CB 3.43Å; L701-Y705 PolarHBondContact O-N 3.21Å; L701-T811 HydrophobicContact CD1-CG2 3.61Å
702	P	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-38.2	173.8	-22	32.8	0	0	0	113	Y361 S699 L700 T706 P803 Q805 F819 L835 W837	Y361-P702 WeakPolarHBondContact OH-CD 3.14Å; S699-P702 WeakPolarHBondContact O-CD 3.17Å; L700-P702 VanDerWaalsContact C-CD 3.41Å; P702-T706 WeakPolarHBondContact O-CB 3.49Å; P702-T706 PolarHBondContact O-N 3.01Å; P702-T706 VanDerWaalsContact O-N 3.1Å; P702-T706 PolarHBondContact O-OG1 2.68Å; P702-P803 HydrophobicContact CB-CB 4.41Å; P702-Q805 HydrophobicContact CG-CB 3.78Å; P702-F819 HydrophobicContact CB-CE1 3.98Å; P702-F819 HydrophobicContact CG-CD1 4.42Å; P702-F819 HydrophobicContact CG-CE1 3.94Å; P702-L835 HydrophobicContact CB-CD1 3.8Å; P702-W837 HydrophobicContact CB-CZ3 3.9Å; P702-W837 HydrophobicContact CG-CZ3 4.03Å
703	F	98.9	Very high	98.7	Very high	15 Å²	15	14.9 Å²	14.9	7%	0.066	7%	0.074	C	C	.	.	H	α-helix	trans	-68.7	-50.2	174.4	174	-118.5	0	0	0	111.1	L700 L701 Y705 T706 L707 W741 S744 L745 I802 P803	L700-F703 WeakPolarHBondContact O-CB 3.37Å; L700-F703 PolarHBondContact O-N 3.32Å; L701-F703 VanDerWaalsContact C-N 3.31Å; L701-F703 PolarHBondContact O-N 2.76Å; F703-Y705 VanDerWaalsContact C-N 3.32Å; F703-Y705 PolarHBondContact O-N 3.42Å; F703-T706 WeakPolarHBondContact O-CA 3.32Å; F703-T706 WeakPolarHBondContact O-CB 3.33Å; F703-T706 PolarHBondContact O-N 3.42Å; F703-L707 HydrophobicContact CD1-CD1 4.39Å; F703-L707 HydrophobicContact CE1-CD1 3.82Å; F703-L707 HydrophobicContact CE1-CG 4.42Å; F703-L707 HydrophobicContact CE2-CD1 4.36Å; F703-L707 HydrophobicContact CE2-CD2 3.95Å; F703-L707 HydrophobicContact CE2-CG 4.12Å; F703-L707 HydrophobicContact CZ-CD1 3.78Å; F703-L707 HydrophobicContact CZ-CD2 3.98Å; F703-L707 HydrophobicContact CZ-CG 4.05Å; F703-L707 PolarHBondContact O-N 2.97Å; F703-W741 HydrophobicContact CD1-CE3 4.44Å; F703-W741 HydrophobicContact CE1-CB 4.01Å; F703-S744 WeakPolarHBondContact CZ-OG 3.45Å; F703-L745 HydrophobicContact CE1-CB 4.2Å; F703-L745 HydrophobicContact CE1-CD2 4.47Å; F703-I802 HydrophobicContact CB-CG2 3.87Å; F703-I802 HydrophobicContact CD1-CG2 4.11Å; F703-I802 HydrophobicContact CD2-CD1 4.3Å; F703-I802 HydrophobicContact CD2-CG2 4.35Å; F703-I802 HydrophobicContact CE1-CD1 4.44Å; F703-I802 HydrophobicContact CE2-CD1 4.07Å; F703-I802 HydrophobicContact CG-CG2 3.85Å; F703-I802 HydrophobicContact CZ-CD1 4.15Å; F703-P803 HydrophobicContact CB-CG 4.2Å
704	L	98.9	Very high	98.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.1	-43.2	178	-177.7	63.1	0	0	0	111.9	L364 L700 L701 T706 L707 F708 V718 W741	L364-L704 HydrophobicContact CB-CD2 4.25Å; L364-L704 HydrophobicContact CD1-CD2 4.24Å; L364-L704 HydrophobicContact CD1-CG 4.17Å; L364-L704 HydrophobicContact CD2-CD2 4.44Å; L700-L704 PolarHBondContact O-N 2.69Å; L701-L704 HydrophobicContact CD2-CD2 4.09Å; L701-L704 PolarHBondContact O-N 3.06Å; L704-T706 VanDerWaalsContact C-N 3.31Å; L704-T706 PolarHBondContact O-N 2.92Å; L704-L707 WeakPolarHBondContact O-CB 3.48Å; L704-L707 PolarHBondContact O-N 3.01Å; L704-L707 VanDerWaalsContact O-N 3.15Å; L704-F708 HydrophobicContact CD1-CD2 4.24Å; L704-F708 HydrophobicContact CD1-CE2 3.98Å; L704-F708 HydrophobicContact CD2-CE2 4.49Å; L704-F708 HydrophobicContact CG-CD2 4.11Å; L704-F708 HydrophobicContact CG-CE2 4.03Å; L704-F708 WeakPolarHBondContact O-CD2 3.35Å; L704-F708 PolarHBondContact O-N 2.77Å; L704-V718 HydrophobicContact CD1-CG1 3.52Å; L704-W741 HydrophobicContact CB-CH2 4.39Å; L704-W741 HydrophobicContact CB-CZ3 4.17Å; L704-W741 HydrophobicContact CD1-CD2 4.07Å; L704-W741 HydrophobicContact CD1-CE3 4.26Å; L704-W741 HydrophobicContact CD1-CH2 4.07Å; L704-W741 HydrophobicContact CD1-CZ2 3.82Å; L704-W741 HydrophobicContact CD1-CZ3 4.27Å; L704-W741 HydrophobicContact CD2-CH2 3.76Å; L704-W741 HydrophobicContact CD2-CZ2 3.99Å; L704-W741 HydrophobicContact CD2-CZ3 4.38Å; L704-W741 HydrophobicContact CG-CH2 4.29Å; L704-W741 HydrophobicContact CG-CZ2 4.45Å
705	Y	98.9	Very high	98.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.5	-35.2	176.5	-169.5	-113.6	0	0	0	112.3	M358 Y361 L364 R589 L701 F703 F708 H709 F836 D838 G840	M358-Y705 HydrophobicContact CE-CD1 4.16Å; M358-Y705 HydrophobicContact CE-CD2 3.66Å; M358-Y705 HydrophobicContact CE-CE1 3.9Å; M358-Y705 HydrophobicContact CE-CE2 3.35Å; M358-Y705 HydrophobicContact CE-CG 4.05Å; M358-Y705 VanDerWaalsContact CE-CZ 3.48Å; M358-Y705 WeakPolarHBondContact CE-O 3.18Å; Y361-Y705 AromaticContact CD2-CD1 3.64Å; Y361-Y705 HydrophobicContact CD2-CD1 3.64Å; Y361-Y705 AromaticContact CD2-CD2 3.51Å; Y361-Y705 HydrophobicContact CD2-CD2 3.51Å; Y361-Y705 AromaticContact CD2-CE1 3.91Å; Y361-Y705 HydrophobicContact CD2-CE1 3.91Å; Y361-Y705 AromaticContact CD2-CE2 3.8Å; Y361-Y705 HydrophobicContact CD2-CE2 3.8Å; Y361-Y705 AromaticContact CD2-CG 3.41Å; Y361-Y705 HydrophobicContact CD2-CG 3.41Å; Y361-Y705 VanDerWaalsContact CD2-CG 3.41Å; Y361-Y705 AromaticContact CD2-CZ 3.98Å; Y361-Y705 AromaticContact CE2-CD1 3.93Å; Y361-Y705 HydrophobicContact CE2-CD1 3.93Å; Y361-Y705 HydrophobicContact CE2-CD2 4.25Å; Y361-Y705 AromaticContact CE2-CG 3.75Å; Y361-Y705 HydrophobicContact CE2-CG 3.75Å; Y361-Y705 HydrophobicContact CG-CD2 4.19Å; Y361-Y705 HydrophobicContact CG-CE2 4.29Å; Y361-Y705 HydrophobicContact CG-CG 4.48Å; L364-Y705 HydrophobicContact CD1-CD2 3.85Å; L364-Y705 HydrophobicContact CD1-CG 4.48Å; R589-Y705 PolarHBondContact NH1-OH 2.92Å; L701-Y705 WeakPolarHBondContact O-CB 3.43Å; L701-Y705 PolarHBondContact O-N 3.21Å; F703-Y705 VanDerWaalsContact C-N 3.32Å; F703-Y705 PolarHBondContact O-N 3.42Å; Y705-F708 PolarHBondContact O-N 2.84Å; Y705-H709 PolarHBondContact O-N 2.81Å; Y705-F836 AromaticContact CD1-CD1 3.87Å; Y705-F836 HydrophobicContact CD1-CD1 3.87Å; Y705-F836 HydrophobicContact CD1-CE1 4.31Å; Y705-F836 AromaticContact CE1-CD1 3.61Å; Y705-F836 HydrophobicContact CE1-CD1 3.61Å; Y705-F836 AromaticContact CE1-CE1 3.59Å; Y705-F836 HydrophobicContact CE1-CE1 3.59Å; Y705-D838 WeakPolarHBondContact CE1-OD1 3.45Å; Y705-D838 PolarHBondContact OH-OD1 3.41Å; Y705-D838 PolarHBondContact OH-OD2 2.57Å; Y705-G840 WeakPolarHBondContact OH-CA 3.16Å
706	T	98.9	Very high	98.4	Very high	3 Å²	3	15 Å²	15	2%	0.018	8%	0.076	C	C	.	.	H	α-helix	trans	-68	-35.2	172.7	-56.3	0	0	0	0	111.9	P702 F703 L704 H709 R710 E834 F836	P702-T706 WeakPolarHBondContact O-CB 3.49Å; P702-T706 PolarHBondContact O-N 3.01Å; P702-T706 VanDerWaalsContact O-N 3.1Å; P702-T706 PolarHBondContact O-OG1 2.68Å; F703-T706 WeakPolarHBondContact O-CA 3.32Å; F703-T706 WeakPolarHBondContact O-CB 3.33Å; F703-T706 PolarHBondContact O-N 3.42Å; L704-T706 VanDerWaalsContact C-N 3.31Å; L704-T706 PolarHBondContact O-N 2.92Å; T706-H709 WeakPolarHBondContact O-CB 3.43Å; T706-H709 PolarHBondContact O-N 2.91Å; T706-R710 PolarHBondContact O-N 2.76Å; T706-E834 HydrophobicContact CG2-CG 3.98Å; T706-F836 HydrophobicContact CG2-CB 4.12Å; T706-F836 PolarHBondContact OG1-N 2.91Å
707	L	98.9	Very high	98.4	Very high	18 Å²	18	13.1 Å²	13.1	9%	0.094	7%	0.067	C	C	.	.	H	α-helix	trans	-64.7	-40.2	170.2	-62.1	179.4	0	0	0	112.1	F703 L704 H709 R710 A711 V718 W741	F703-L707 HydrophobicContact CD1-CD1 4.39Å; F703-L707 HydrophobicContact CE1-CD1 3.82Å; F703-L707 HydrophobicContact CE1-CG 4.42Å; F703-L707 HydrophobicContact CE2-CD1 4.36Å; F703-L707 HydrophobicContact CE2-CD2 3.95Å; F703-L707 HydrophobicContact CE2-CG 4.12Å; F703-L707 HydrophobicContact CZ-CD1 3.78Å; F703-L707 HydrophobicContact CZ-CD2 3.98Å; F703-L707 HydrophobicContact CZ-CG 4.05Å; F703-L707 PolarHBondContact O-N 2.97Å; L704-L707 WeakPolarHBondContact O-CB 3.48Å; L704-L707 PolarHBondContact O-N 3.01Å; L704-L707 VanDerWaalsContact O-N 3.15Å; L707-H709 VanDerWaalsContact C-N 3.33Å; L707-H709 PolarHBondContact O-N 2.91Å; L707-R710 WeakPolarHBondContact O-CB 3.36Å; L707-R710 PolarHBondContact O-N 3.44Å; L707-A711 PolarHBondContact O-N 2.72Å; L707-V718 HydrophobicContact CB-CB 4.47Å; L707-V718 HydrophobicContact CB-CG1 4.03Å; L707-V718 HydrophobicContact CB-CG2 4.19Å; L707-V718 HydrophobicContact CD1-CG1 4.23Å; L707-W741 HydrophobicContact CD1-CB 3.88Å; L707-W741 HydrophobicContact CD1-CG 4.41Å
708	F	98.9	Very high	98.4	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-36.6	173.4	-88.3	-76.7	0	0	0	112.6	M358 P359 L364 P635 L636 P664 L704 Y705 A711 H712 V718	M358-F708 HydrophobicContact CE-CB 4.16Å; M358-F708 HydrophobicContact SD-CB 4.27Å; P359-F708 HydrophobicContact CG-CB 4Å; P359-F708 HydrophobicContact CG-CD1 3.59Å; P359-F708 HydrophobicContact CG-CD2 4.23Å; P359-F708 HydrophobicContact CG-CE1 4.06Å; P359-F708 HydrophobicContact CG-CG 3.67Å; L364-F708 HydrophobicContact CD1-CD2 3.88Å; L364-F708 HydrophobicContact CD1-CE2 4.26Å; L364-F708 HydrophobicContact CD2-CD2 3.79Å; L364-F708 HydrophobicContact CD2-CE2 3.39Å; L364-F708 HydrophobicContact CD2-CZ 3.95Å; L364-F708 HydrophobicContact CG-CE2 4.48Å; P635-F708 HydrophobicContact CB-CD1 4.5Å; P635-F708 HydrophobicContact CB-CE1 3.94Å; P635-F708 HydrophobicContact CG-CD1 4.32Å; P635-F708 HydrophobicContact CG-CE1 3.97Å; L636-F708 HydrophobicContact CB-CE1 3.92Å; L636-F708 HydrophobicContact CB-CZ 4.15Å; L636-F708 HydrophobicContact CD1-CE1 4.28Å; L636-F708 HydrophobicContact CD1-CZ 3.84Å; P664-F708 HydrophobicContact CB-CE2 4.14Å; P664-F708 HydrophobicContact CB-CZ 3.78Å; L704-F708 HydrophobicContact CD1-CD2 4.24Å; L704-F708 HydrophobicContact CD1-CE2 3.98Å; L704-F708 HydrophobicContact CD2-CE2 4.49Å; L704-F708 HydrophobicContact CG-CD2 4.11Å; L704-F708 HydrophobicContact CG-CE2 4.03Å; L704-F708 WeakPolarHBondContact O-CD2 3.35Å; L704-F708 PolarHBondContact O-N 2.77Å; Y705-F708 PolarHBondContact O-N 2.84Å; F708-A711 WeakPolarHBondContact O-CB 3.24Å; F708-A711 PolarHBondContact O-N 2.92Å; F708-H712 WeakPolarHBondContact O-CB 3.39Å; F708-H712 PolarHBondContact O-N 3.11Å; F708-V718 HydrophobicContact CD1-CG2 4.14Å; F708-V718 HydrophobicContact CD2-CG1 4.36Å; F708-V718 HydrophobicContact CD2-CG2 4.35Å; F708-V718 HydrophobicContact CE1-CG2 4.29Å; F708-V718 HydrophobicContact CE2-CG1 4.08Å; F708-V718 HydrophobicContact CE2-CG2 4.47Å; F708-V718 HydrophobicContact CG-CG2 4.19Å; F708-V718 HydrophobicContact CZ-CG1 4.48Å; F708-V718 HydrophobicContact CZ-CG2 4.45Å
709	H	98.8	Very high	98.3	Very high	8 Å²	8	13 Å²	13	4%	0.037	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-41.7	171.4	172.1	73.5	0	0	0	112.1	M358 Y705 T706 L707 H712 T713 F836 F846 Y853	M358-H709 HydrophobicContact CE-CB 3.98Å; M358-H709 VanDerWaalsContact SD-CA 3.54Å; M358-H709 HydrophobicContact SD-CB 4.1Å; Y705-H709 PolarHBondContact O-N 2.81Å; T706-H709 WeakPolarHBondContact O-CB 3.43Å; T706-H709 PolarHBondContact O-N 2.91Å; L707-H709 VanDerWaalsContact C-N 3.33Å; L707-H709 PolarHBondContact O-N 2.91Å; H709-H712 PolarHBondContact O-N 3.27Å; H709-T713 WeakPolarHBondContact O-CB 3.3Å; H709-T713 WeakPolarHBondContact O-CG2 3.48Å; H709-T713 PolarHBondContact O-N 2.99Å; H709-T713 PolarHBondContact O-OG1 3.26Å; H709-F836 HydrophobicContact CB-CB 3.93Å; H709-F836 HydrophobicContact CB-CD1 3.7Å; H709-F836 HydrophobicContact CB-CD2 4.22Å; H709-F836 HydrophobicContact CB-CE1 4.26Å; H709-F836 HydrophobicContact CB-CG 3.67Å; H709-F836 AromaticContact CD2-CD2 3.7Å; H709-F836 AromaticContact CD2-CG 3.81Å; H709-F836 AromaticContact CE1-CD2 3.39Å; H709-F836 WeakPolarHBondContact CE1-CD2 3.16Å; H709-F836 AromaticContact CE1-CE2 3.46Å; H709-F836 VanDerWaalsContact CE1-CE2 3.46Å; H709-F836 WeakPolarHBondContact CE1-CE2 3.4Å; H709-F836 AromaticContact CG-CD1 3.88Å; H709-F836 AromaticContact CG-CD2 3.48Å; H709-F836 VanDerWaalsContact CG-CD2 3.48Å; H709-F836 AromaticContact CG-CE2 3.96Å; H709-F836 AromaticContact CG-CG 3.43Å; H709-F836 VanDerWaalsContact CG-CG 3.43Å; H709-F836 AromaticContact ND1-CD2 3.3Å; H709-F836 VanDerWaalsContact ND1-CD2 3.3Å; H709-F836 WeakPolarHBondContact ND1-CD2 3.43Å; H709-F836 AromaticContact ND1-CE2 3.31Å; H709-F836 VanDerWaalsContact ND1-CE2 3.31Å; H709-F836 WeakPolarHBondContact ND1-CE2 3.24Å; H709-F836 AromaticContact ND1-CG 3.69Å; H709-F836 AromaticContact ND1-CZ 3.72Å; H709-F836 AromaticContact NE2-CD2 3.64Å; H709-F846 AromaticContact CE1-CD2 3.67Å; H709-Y853 AromaticContact CD2-CE2 3.9Å; H709-Y853 AromaticContact NE2-CE2 3.64Å
710	R	98.6	Very high	98.3	Very high	76 Å²	76	13.3 Å²	13.3	29%	0.287	7%	0.066	S	C	.	.	H	α-helix	trans	-62.5	-39.9	172.8	-75.3	-72.4	-171.5	173.1	-0.5	112.5	T706 L707 S714 A715 D716 E834 Y853	T706-R710 PolarHBondContact O-N 2.76Å; L707-R710 WeakPolarHBondContact O-CB 3.36Å; L707-R710 PolarHBondContact O-N 3.44Å; R710-S714 CarbonylContact O-C 3.54Å; R710-S714 WeakPolarHBondContact O-CA 3.36Å; R710-S714 VanDerWaalsContact O-CB 3.3Å; R710-S714 WeakPolarHBondContact O-CB 3.45Å; R710-S714 PolarHBondContact O-N 3.14Å; R710-A715 PolarHBondContact O-N 2.78Å; R710-D716 HydrophobicContact CB-CB 4.03Å; R710-D716 PolarHBondContact O-N 3.07Å; R710-E834 IonicContact CZ-OE1 3.85Å; R710-E834 IonicContact CZ-OE2 2.65Å; R710-E834 IonicContact NE-OE1 2.74Å; R710-E834 PolarHBondContact NE-OE1 3.27Å; R710-E834 IonicContact NE-OE2 3.62Å; R710-E834 VanDerWaalsContact NH2-CD 3.34Å; R710-E834 IonicContact NH2-OE1 3.86Å; R710-E834 PolarHBondContact NH2-OE1 3.29Å; R710-E834 IonicContact NH2-OE2 3.24Å; R710-E834 PolarHBondContact NH2-OE2 3.16Å; R710-Y853 PolarHBondContact NH2-OH 3.06Å
711	A	98.7	Very high	98.3	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-50.5	173.9	0	0	0	0	0	111.8	P356 P635 L707 F708 T713 A715 D716 V718	P356-A711 HydrophobicContact CG-CB 4.4Å; P635-A711 HydrophobicContact CG-CB 4.2Å; L707-A711 PolarHBondContact O-N 2.72Å; F708-A711 WeakPolarHBondContact O-CB 3.24Å; F708-A711 PolarHBondContact O-N 2.92Å; A711-T713 PolarHBondContact O-N 3.09Å; A711-A715 VanDerWaalsContact O-CA 3.28Å; A711-A715 WeakPolarHBondContact O-CA 3.31Å; A711-A715 PolarHBondContact O-N 3.05Å; A711-D716 WeakPolarHBondContact CA-O 3.25Å; A711-D716 WeakPolarHBondContact CB-O 3.46Å; A711-V718 HydrophobicContact CB-CG2 3.98Å
712	H	98.4	Very high	98.3	Very high	41 Å²	41	13.3 Å²	13.3	19%	0.19	7%	0.066	C	C	.	.	H	α-helix	trans	-62.5	-36.5	-179	175.9	57.3	0	0	0	113.9	Y355 P356 M358 F708 H709	Y355-H712 WeakPolarHBondContact CD2-O 3.41Å; P356-H712 WeakPolarHBondContact O-CA 3.13Å; P356-H712 PolarHBondContact O-ND1 3.13Å; M358-H712 HydrophobicContact CB-CB 4.21Å; M358-H712 PolarHBondContact N-ND1 2.65Å; M358-H712 HydrophobicContact SD-CB 4.08Å; F708-H712 WeakPolarHBondContact O-CB 3.39Å; F708-H712 PolarHBondContact O-N 3.11Å; H709-H712 PolarHBondContact O-N 3.27Å
713	T	97	Very high	98.2	Very high	28 Å²	28	13.3 Å²	13.3	17%	0.172	7%	0.066	C	C	.	.	H	α-helix	trans	-101.5	-27.3	-173	60.7	0	0	0	0	114.8	Y355 H709 A711 F846	Y355-T713 WeakPolarHBondContact CE2-O 3.45Å; H709-T713 WeakPolarHBondContact O-CB 3.3Å; H709-T713 WeakPolarHBondContact O-CG2 3.48Å; H709-T713 PolarHBondContact O-N 2.99Å; H709-T713 PolarHBondContact O-OG1 3.26Å; A711-T713 PolarHBondContact O-N 3.09Å; T713-F846 HydrophobicContact CG2-CD1 3.58Å; T713-F846 HydrophobicContact CG2-CD2 3.87Å; T713-F846 HydrophobicContact CG2-CE1 3.53Å; T713-F846 HydrophobicContact CG2-CE2 3.82Å; T713-F846 HydrophobicContact CG2-CG 3.75Å; T713-F846 HydrophobicContact CG2-CZ 3.64Å
714	S	96.1	Very high	98	Very high	34 Å²	34	13 Å²	13	24%	0.238	7%	0.065	C	C	.	.	H	α-helix	trans	-129.6	0.3	-169.4	-53	0	0	0	0	113.6	R347 R710 D716	R347-S714 PolarHBondContact NE-O 2.8Å; R710-S714 CarbonylContact O-C 3.54Å; R710-S714 WeakPolarHBondContact O-CA 3.36Å; R710-S714 VanDerWaalsContact O-CB 3.3Å; R710-S714 WeakPolarHBondContact O-CB 3.45Å; R710-S714 PolarHBondContact O-N 3.14Å; S714-D716 PolarHBondContact O-N 3.38Å
715	A	96.2	Very high	98	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	8%	0.076	C	C	.	.			trans	57.1	30.1	-175.8	0	0	0	0	0	114.7	Q343 R347 L350 Y355 R710 A711	Q343-A715 PolarHBondContact NE2-O 2.54Å; R347-A715 HydrophobicContact CB-CB 4.32Å; R347-A715 HydrophobicContact CG-CB 4.13Å; L350-A715 HydrophobicContact CB-CB 3.92Å; L350-A715 HydrophobicContact CD1-CB 3.93Å; L350-A715 HydrophobicContact CG-CB 4.44Å; Y355-A715 HydrophobicContact CD1-CB 3.77Å; Y355-A715 HydrophobicContact CD2-CB 4.46Å; Y355-A715 HydrophobicContact CE1-CB 3.57Å; Y355-A715 HydrophobicContact CE2-CB 4.3Å; Y355-A715 HydrophobicContact CG-CB 4.22Å; R710-A715 PolarHBondContact O-N 2.78Å; A711-A715 VanDerWaalsContact O-CA 3.28Å; A711-A715 WeakPolarHBondContact O-CA 3.31Å; A711-A715 PolarHBondContact O-N 3.05Å
716	D	97	Very high	97.9	Very high	28 Å²	28	16.5 Å²	16.5	15%	0.15	8%	0.081	C	C	.	.			trans	-75.4	146.2	171.7	-65.6	-13.4	0	0	0	111.3	R347 R710 A711 S714	R347-D716 IonicContact CZ-OD1 2.68Å; R347-D716 IonicContact NH2-OD1 3.28Å; R347-D716 PolarHBondContact NH2-OD1 3.36Å; R710-D716 HydrophobicContact CB-CB 4.03Å; R710-D716 PolarHBondContact O-N 3.07Å; A711-D716 WeakPolarHBondContact CA-O 3.25Å; A711-D716 WeakPolarHBondContact CB-O 3.46Å; S714-D716 PolarHBondContact O-N 3.38Å
717	T	97.9	Very high	97.7	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.043	9%	0.089	C	C	.	.			trans	-80.6	139.7	178.4	49.5	0	0	0	0	112.2	Q343 I346 R720 M724	Q343-T717 PolarHBondContact OE1-OG1 3.34Å; I346-T717 HydrophobicContact CG2-CG2 4.37Å; T717-R720 PolarHBondContact O-NE 3.08Å; T717-R720 PolarHBondContact O-NH2 3.48Å; T717-R720 VanDerWaalsContact OG1-CB 3.27Å; T717-R720 WeakPolarHBondContact OG1-CB 3.32Å; T717-R720 PolarHBondContact OG1-NE 3.01Å; T717-M724 HydrophobicContact CG2-CE 4.02Å; T717-M724 HydrophobicContact CG2-SD 3.8Å; T717-M724 PolarHBondContact OG1-SD 3.31Å
718	V	98.8	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-81.7	-75.2	-179.7	178.5	0	0	0	0	110.8	P635 P664 L704 L707 F708 A711 W741 G742	P635-V718 HydrophobicContact CB-CB 4.1Å; P635-V718 HydrophobicContact CB-CG2 3.67Å; P664-V718 HydrophobicContact CB-CG1 4.41Å; P664-V718 HydrophobicContact CG-CG1 4.24Å; L704-V718 HydrophobicContact CD1-CG1 3.52Å; L707-V718 HydrophobicContact CB-CB 4.47Å; L707-V718 HydrophobicContact CB-CG1 4.03Å; L707-V718 HydrophobicContact CB-CG2 4.19Å; L707-V718 HydrophobicContact CD1-CG1 4.23Å; F708-V718 HydrophobicContact CD1-CG2 4.14Å; F708-V718 HydrophobicContact CD2-CG1 4.36Å; F708-V718 HydrophobicContact CD2-CG2 4.35Å; F708-V718 HydrophobicContact CE1-CG2 4.29Å; F708-V718 HydrophobicContact CE2-CG1 4.08Å; F708-V718 HydrophobicContact CE2-CG2 4.47Å; F708-V718 HydrophobicContact CG-CG2 4.19Å; F708-V718 HydrophobicContact CZ-CG1 4.48Å; F708-V718 HydrophobicContact CZ-CG2 4.45Å; A711-V718 HydrophobicContact CB-CG2 3.98Å; V718-W741 WeakPolarHBondContact O-CA 3.36Å; V718-G742 PolarHBondContact O-N 3.15Å
719	A	98.8	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.3	162.4	0	0	0	0	0	107.7	V626 L627 S630 P664 F739 L740	V626-A719 HydrophobicContact CG1-CB 4.12Å; L627-A719 HydrophobicContact CD2-CB 4.46Å; S630-A719 WeakPolarHBondContact CB-O 3.38Å; S630-A719 PolarHBondContact OG-O 3.25Å; P664-A719 HydrophobicContact CG-CB 3.74Å; A719-F739 HydrophobicContact CB-CD2 4.22Å; A719-F739 HydrophobicContact CB-CE2 4.49Å; A719-L740 CarbonylContact C-O 3.49Å; A719-L740 VanDerWaalsContact CA-O 3.31Å; A719-L740 WeakPolarHBondContact CA-O 3.28Å
720	R	97.9	Very high	97.1	Very high	18 Å²	18	25.1 Å²	25.1	7%	0.068	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.1	-175.5	71.4	175	65.6	168.6	-4.4	114.2	T717 M724 E725 L740 G742	T717-R720 PolarHBondContact O-NE 3.08Å; T717-R720 PolarHBondContact O-NH2 3.48Å; T717-R720 VanDerWaalsContact OG1-CB 3.27Å; T717-R720 WeakPolarHBondContact OG1-CB 3.32Å; T717-R720 PolarHBondContact OG1-NE 3.01Å; R720-M724 HydrophobicContact CB-SD 3.95Å; R720-E725 IonicContact NH1-OE2 2.84Å; R720-E725 PolarHBondContact NH1-OE2 3.03Å; R720-L740 HydrophobicContact CG-CB 3.77Å; R720-L740 HydrophobicContact CG-CD1 4.25Å; R720-L740 PolarHBondContact N-O 3.17Å; R720-L740 PolarHBondContact O-N 3.38Å; R720-G742 WeakPolarHBondContact CD-O 3.4Å; R720-G742 WeakPolarHBondContact CG-O 3.36Å; R720-G742 PolarHBondContact NE-O 3.49Å
721	P	98.3	Very high	96.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.			trans	-62.1	151.7	170.6	-19.5	32.5	0	0	0	111.4	L262 L627 L631 F723 M724	L262-P721 HydrophobicContact CD2-CB 3.68Å; L262-P721 HydrophobicContact CD2-CG 3.56Å; L627-P721 HydrophobicContact CB-CG 4.25Å; L627-P721 HydrophobicContact CD1-CB 4.43Å; L627-P721 HydrophobicContact CD1-CG 4.24Å; L627-P721 HydrophobicContact CD2-CG 4.28Å; L627-P721 HydrophobicContact CG-CG 4.49Å; L631-P721 HydrophobicContact CD2-CG 4.43Å; P721-F723 HydrophobicContact CB-CD1 3.48Å; P721-F723 VanDerWaalsContact CB-CD1 3.48Å; P721-F723 HydrophobicContact CB-CE1 3.43Å; P721-F723 VanDerWaalsContact CB-CE1 3.43Å; P721-F723 HydrophobicContact CB-CG 4.13Å; P721-F723 HydrophobicContact CB-CZ 4.02Å; P721-F723 HydrophobicContact CG-CD1 4.28Å; P721-F723 HydrophobicContact CG-CE1 3.72Å; P721-F723 HydrophobicContact CG-CZ 3.93Å; P721-F723 PolarHBondContact O-N 3.48Å; P721-M724 PolarHBondContact O-N 3.19Å; P721-M724 VanDerWaalsContact O-N 3.12Å
722	L	98.5	Very high	96.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-33.7	177.6	-84	63.9	0	0	0	111.8	M724 E725 F726 C732 I735 Q738 L740 L746 P763	L722-M724 PolarHBondContact O-N 3.1Å; L722-M724 VanDerWaalsContact O-N 3.17Å; L722-E725 PolarHBondContact O-N 3.27Å; L722-E725 VanDerWaalsContact O-N 3.12Å; L722-F726 WeakPolarHBondContact O-CD2 3.36Å; L722-F726 PolarHBondContact O-N 3.39Å; L722-C732 HydrophobicContact CB-CB 3.91Å; L722-I735 HydrophobicContact CD1-CG2 4.45Å; L722-I735 HydrophobicContact CD2-CD1 4.1Å; L722-I735 HydrophobicContact CD2-CG2 4.23Å; L722-Q738 HydrophobicContact CD1-CB 4.14Å; L722-Q738 WeakPolarHBondContact CD1-O 3.45Å; L722-L740 HydrophobicContact CD1-CG 4.35Å; L722-L746 HydrophobicContact CD1-CD1 3.92Å; L722-L746 HydrophobicContact CD2-CD1 4.23Å; L722-L746 HydrophobicContact CG-CD1 4.29Å; L722-P763 HydrophobicContact CD2-CG 4.15Å
723	F	96.8	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-21.2	178	74.4	-110.3	0	0	0	114.6	L262 Q296 P342 P721 E725 P727 C732	L262-F723 HydrophobicContact CD2-CE1 3.83Å; L262-F723 HydrophobicContact CG-CE1 4.37Å; Q296-F723 HydrophobicContact CG-CD2 4.08Å; Q296-F723 HydrophobicContact CG-CE2 4.29Å; Q296-F723 HydrophobicContact CG-CG 4.45Å; P342-F723 HydrophobicContact CB-CD2 4.11Å; P342-F723 HydrophobicContact CB-CE2 4.05Å; P342-F723 HydrophobicContact CG-CD2 4.09Å; P342-F723 HydrophobicContact CG-CE2 4.47Å; P721-F723 HydrophobicContact CB-CD1 3.48Å; P721-F723 VanDerWaalsContact CB-CD1 3.48Å; P721-F723 HydrophobicContact CB-CE1 3.43Å; P721-F723 VanDerWaalsContact CB-CE1 3.43Å; P721-F723 HydrophobicContact CB-CG 4.13Å; P721-F723 HydrophobicContact CB-CZ 4.02Å; P721-F723 HydrophobicContact CG-CD1 4.28Å; P721-F723 HydrophobicContact CG-CE1 3.72Å; P721-F723 HydrophobicContact CG-CZ 3.93Å; P721-F723 PolarHBondContact O-N 3.48Å; F723-E725 VanDerWaalsContact C-N 3.33Å; F723-P727 VanDerWaalsContact O-CA 3.26Å; F723-P727 WeakPolarHBondContact O-CA 3.42Å; F723-P727 VanDerWaalsContact O-CB 3.27Å; F723-P727 WeakPolarHBondContact O-CB 3.24Å; F723-P727 WeakPolarHBondContact O-CD 3.37Å; F723-C732 PolarHBondContact N-O 3.26Å
724	M	96.3	Very high	96.5	Very high	9 Å²	9	28 Å²	28	4%	0.044	16%	0.163	C	C	.	.	H	α-helix	trans	-71.1	-32.2	176	-73.6	-166.9	151.6	0	0	112.6	P342 I346 L631 T717 R720 P721 L722	P342-M724 HydrophobicContact CB-CG 4.21Å; I346-M724 HydrophobicContact CD1-CE 4.29Å; I346-M724 HydrophobicContact CG1-CE 3.43Å; I346-M724 VanDerWaalsContact CG1-CE 3.43Å; L631-M724 HydrophobicContact CD2-CE 3.24Å; L631-M724 HydrophobicContact CD2-SD 4.37Å; T717-M724 HydrophobicContact CG2-CE 4.02Å; T717-M724 HydrophobicContact CG2-SD 3.8Å; T717-M724 PolarHBondContact OG1-SD 3.31Å; R720-M724 HydrophobicContact CB-SD 3.95Å; P721-M724 PolarHBondContact O-N 3.19Å; P721-M724 VanDerWaalsContact O-N 3.12Å; L722-M724 PolarHBondContact O-N 3.1Å; L722-M724 VanDerWaalsContact O-N 3.17Å
725	E	97.4	Very high	96.6	Very high	50 Å²	50	27 Å²	27	23%	0.234	16%	0.155	C	C	.	.	H	α-helix	trans	-98.2	-27.6	-177.7	-170.8	62	-143.9	0	0	111.9	R720 L722 F723 P727 L740 S743 R797	R720-E725 IonicContact NH1-OE2 2.84Å; R720-E725 PolarHBondContact NH1-OE2 3.03Å; L722-E725 PolarHBondContact O-N 3.27Å; L722-E725 VanDerWaalsContact O-N 3.12Å; F723-E725 VanDerWaalsContact C-N 3.33Å; E725-P727 VanDerWaalsContact C-CD 3.42Å; E725-L740 HydrophobicContact CB-CD1 3.62Å; E725-L740 HydrophobicContact CG-CD1 4.08Å; E725-S743 VanDerWaalsContact CD-CB 3.46Å; E725-S743 WeakPolarHBondContact OE2-CA 3.36Å; E725-S743 WeakPolarHBondContact OE2-CB 3.45Å; E725-R797 VanDerWaalsContact CD-NH1 3.31Å; E725-R797 VanDerWaalsContact CG-NH1 3.29Å; E725-R797 IonicContact OE1-CZ 2.75Å; E725-R797 IonicContact OE1-NH1 2.72Å; E725-R797 PolarHBondContact OE1-NH1 3.37Å; E725-R797 IonicContact OE1-NH2 3.74Å
726	F	97.3	Very high	96.6	Very high	22 Å²	22	27.7 Å²	27.7	10%	0.096	16%	0.159	C	C	.	.			trans	-128	50.6	-176.9	-53.9	-81.9	0	0	0	112.8	L722 A728 D729 C732 L740 P763 W767 R797	L722-F726 WeakPolarHBondContact O-CD2 3.36Å; L722-F726 PolarHBondContact O-N 3.39Å; F726-A728 PolarHBondContact O-N 3.31Å; F726-D729 HydrophobicContact CB-CB 4.19Å; F726-D729 WeakPolarHBondContact O-CB 3.45Å; F726-D729 PolarHBondContact O-N 2.9Å; F726-C732 HydrophobicContact CB-CB 4.02Å; F726-L740 HydrophobicContact CD2-CD1 4.46Å; F726-L740 HydrophobicContact CE2-CD1 4.05Å; F726-P763 HydrophobicContact CD1-CB 3.63Å; F726-P763 HydrophobicContact CD1-CG 4.34Å; F726-P763 HydrophobicContact CD2-CB 3.91Å; F726-P763 HydrophobicContact CD2-CG 3.69Å; F726-P763 HydrophobicContact CE1-CB 3.57Å; F726-P763 HydrophobicContact CE1-CG 4.28Å; F726-P763 HydrophobicContact CE2-CB 3.88Å; F726-P763 HydrophobicContact CE2-CG 3.64Å; F726-P763 HydrophobicContact CG-CB 3.81Å; F726-P763 HydrophobicContact CG-CG 4.07Å; F726-P763 HydrophobicContact CZ-CB 3.72Å; F726-P763 HydrophobicContact CZ-CG 3.95Å; F726-W767 HydrophobicContact CE1-CZ2 4.5Å; F726-W767 HydrophobicContact CE2-CH2 4.18Å; F726-W767 HydrophobicContact CE2-CZ2 4.13Å; F726-W767 AromaticContact CZ-CH2 3.91Å; F726-W767 HydrophobicContact CZ-CH2 3.91Å; F726-W767 AromaticContact CZ-CZ2 3.63Å; F726-W767 HydrophobicContact CZ-CZ2 3.63Å; F726-R797 VanDerWaalsContact CE1-NH2 3.32Å; F726-R797 VanDerWaalsContact CZ-CZ 3.46Å
727	P	95.7	Very high	96.7	Very high	28 Å²	28	31 Å²	31	18%	0.182	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.6	-173.2	25.9	-35.1	0	0	0	114.2	G300 P342 F723 E725 D729 R733	G300-P727 WeakPolarHBondContact CA-O 3.35Å; G300-P727 WeakPolarHBondContact O-CB 3.41Å; P342-P727 HydrophobicContact CG-CB 4.12Å; F723-P727 VanDerWaalsContact O-CA 3.26Å; F723-P727 WeakPolarHBondContact O-CA 3.42Å; F723-P727 VanDerWaalsContact O-CB 3.27Å; F723-P727 WeakPolarHBondContact O-CB 3.24Å; F723-P727 WeakPolarHBondContact O-CD 3.37Å; E725-P727 VanDerWaalsContact C-CD 3.42Å; P727-D729 VanDerWaalsContact C-N 3.28Å; P727-D729 PolarHBondContact O-N 3.01Å; P727-R733 PolarHBondContact O-NE 2.89Å; P727-R733 PolarHBondContact O-NH2 3.11Å; P727-R733 VanDerWaalsContact O-NH2 3.16Å
728	A	93.9	Very high	96.7	Very high	79 Å²	79	31.2 Å²	31.2	65%	0.653	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.2	175.5	0	0	0	0	0	113.5	F726	F726-A728 PolarHBondContact O-N 3.31Å
729	D	96	Very high	96.7	Very high	25 Å²	25	31.3 Å²	31.3	13%	0.134	17%	0.174	C	C	.	.			trans	-88.2	115.1	177.9	-172.8	-24.7	0	0	0	109.9	F726 P727 H731 C732 Y761	F726-D729 HydrophobicContact CB-CB 4.19Å; F726-D729 WeakPolarHBondContact O-CB 3.45Å; F726-D729 PolarHBondContact O-N 2.9Å; P727-D729 VanDerWaalsContact C-N 3.28Å; P727-D729 PolarHBondContact O-N 3.01Å; D729-H731 PolarHBondContact O-N 3.1Å; D729-H731 IonicContact OD1-CG 2.81Å; D729-H731 PolarHBondContact OD1-N 2.75Å; D729-H731 IonicContact OD1-ND1 3.45Å; D729-H731 PolarHBondContact OD1-ND1 3.02Å; D729-C732 HydrophobicContact CB-CB 4.11Å; D729-C732 PolarHBondContact O-N 3.06Å; D729-Y761 PolarHBondContact OD1-OH 3.03Å; D729-Y761 WeakPolarHBondContact OD2-CE1 3.27Å; D729-Y761 PolarHBondContact OD2-OH 2.87Å
730	P	93.5	Very high	96.7	Very high	81 Å²	81	31.3 Å²	31.3	53%	0.526	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.9	-176.1	27	-35.1	0	0	0	113.7
731	H	94.2	Very high	96.8	Very high	90 Å²	90	30.5 Å²	30.5	42%	0.417	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-34.1	178.4	-55.8	92.4	0	0	0	111.6	D729 R733 I735 Y761	D729-H731 PolarHBondContact O-N 3.1Å; D729-H731 IonicContact OD1-CG 2.81Å; D729-H731 PolarHBondContact OD1-N 2.75Å; D729-H731 IonicContact OD1-ND1 3.45Å; D729-H731 PolarHBondContact OD1-ND1 3.02Å; H731-R733 PolarHBondContact O-N 3.42Å; H731-I735 WeakPolarHBondContact O-CD1 3.48Å; H731-I735 WeakPolarHBondContact O-CG1 3.43Å; H731-Y761 HydrophobicContact CB-CD1 4.42Å; H731-Y761 HydrophobicContact CB-CD2 4.16Å; H731-Y761 HydrophobicContact CB-CE1 3.91Å; H731-Y761 HydrophobicContact CB-CE2 3.61Å; H731-Y761 VanDerWaalsContact CB-CZ 3.46Å; H731-Y761 AromaticContact CG-CE2 3.68Å; H731-Y761 AromaticContact CG-CZ 3.73Å; H731-Y761 AromaticContact ND1-CE2 3.97Å; H731-Y761 AromaticContact ND1-CZ 3.76Å; H731-Y761 PolarHBondContact ND1-OH 3Å; H731-Y761 VanDerWaalsContact ND1-OH 3.13Å
732	C	96.8	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-66.3	-18.5	-179.3	-70.9	0	0	0	0	113.5	L722 F723 F726 D729 T734	L722-C732 HydrophobicContact CB-CB 3.91Å; F723-C732 PolarHBondContact N-O 3.26Å; F726-C732 HydrophobicContact CB-CB 4.02Å; D729-C732 HydrophobicContact CB-CB 4.11Å; D729-C732 PolarHBondContact O-N 3.06Å; C732-T734 VanDerWaalsContact C-N 3.31Å; C732-T734 PolarHBondContact O-N 2.98Å
733	R	93.8	Very high	96.7	Very high	32 Å²	32	32.2 Å²	32.2	12%	0.121	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-66	-27	-173.2	-60.5	-175.1	-178.5	173.3	-6	114.8	L251 V263 Q296 E298 P727 H731	L251-R733 HydrophobicContact CD1-CB 4.08Å; L251-R733 HydrophobicContact CD1-CG 4.35Å; L251-R733 HydrophobicContact CD2-CB 4.38Å; V263-R733 WeakPolarHBondContact CG2-O 3.46Å; Q296-R733 PolarHBondContact NE2-O 2.93Å; E298-R733 PolarHBondContact O-NH1 3.4Å; E298-R733 VanDerWaalsContact O-NH1 3.08Å; E298-R733 PolarHBondContact O-NH2 3.33Å; P727-R733 PolarHBondContact O-NE 2.89Å; P727-R733 PolarHBondContact O-NH2 3.11Å; P727-R733 VanDerWaalsContact O-NH2 3.16Å; H731-R733 PolarHBondContact O-N 3.42Å
734	T	95.1	Very high	96.7	Very high	83 Å²	83	32.4 Å²	32.4	51%	0.509	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-122.5	5.3	-173.7	59.5	0	0	0	0	113.6	L251 V263 C732 D736	L251-T734 HydrophobicContact CD2-CG2 3.93Å; V263-T734 HydrophobicContact CG2-CG2 4.36Å; C732-T734 VanDerWaalsContact C-N 3.31Å; C732-T734 PolarHBondContact O-N 2.98Å; T734-D736 PolarHBondContact O-N 2.85Å
735	I	97.8	Very high	96.9	Very high	14 Å²	14	32 Å²	32	7%	0.072	18%	0.183	C	C	.	.			trans	-79.5	116.9	179.6	-68.5	169	0	0	0	109.8	L722 H731 Q738 Y761	L722-I735 HydrophobicContact CD1-CG2 4.45Å; L722-I735 HydrophobicContact CD2-CD1 4.1Å; L722-I735 HydrophobicContact CD2-CG2 4.23Å; H731-I735 WeakPolarHBondContact O-CD1 3.48Å; H731-I735 WeakPolarHBondContact O-CG1 3.43Å; I735-Q738 HydrophobicContact CG2-CB 3.83Å; I735-Q738 HydrophobicContact CG2-CG 4.31Å; I735-Y761 VanDerWaalsContact CD1-CB 3.47Å; I735-Y761 HydrophobicContact CD1-CD1 3.82Å; I735-Y761 HydrophobicContact CD1-CG 3.72Å
736	D	97.1	Very high	96.9	Very high	16 Å²	16	29.6 Å²	29.6	9%	0.086	17%	0.172	C	C	.	.			trans	-123.6	3.1	175.5	64.5	-2.7	0	0	0	113.9	S261 L262 I623 P624 T734	S261-D736 WeakPolarHBondContact CA-OD2 3.15Å; S261-D736 WeakPolarHBondContact CB-OD2 3.23Å; S261-D736 PolarHBondContact OG-OD2 3.18Å; L262-D736 HydrophobicContact CB-CB 3.58Å; L262-D736 HydrophobicContact CD2-CB 4.42Å; L262-D736 PolarHBondContact N-OD2 2.72Å; L262-D736 VanDerWaalsContact N-OD2 3.12Å; I623-D736 WeakPolarHBondContact CB-O 3.36Å; I623-D736 WeakPolarHBondContact CG2-O 3.49Å; P624-D736 HydrophobicContact CB-CB 4.19Å; T734-D736 PolarHBondContact O-N 2.85Å
737	Q	98.1	Very high	97	Very high	97 Å²	97	28.6 Å²	28.6	45%	0.453	17%	0.167	S	C	.	.	S	Bend	trans	-101	-4.4	176.2	-63.3	179.9	30.7	0	0	113.5	R620 P749 L751	R620-Q737 HydrophobicContact CG-CG 4.34Å; Q737-P749 WeakPolarHBondContact O-CD 3.47Å; Q737-L751 HydrophobicContact CB-CD1 3.82Å; Q737-L751 HydrophobicContact CG-CD1 4.04Å
738	Q	98.6	Very high	97.2	Very high	11 Å²	11	27.2 Å²	27.2	5%	0.051	16%	0.158	C	C	.	.	S	Bend	trans	-129	153.5	169.7	-60.3	172.4	-95.9	0	0	108.1	L722 I735 L746 S748 Y761	L722-Q738 HydrophobicContact CD1-CB 4.14Å; L722-Q738 WeakPolarHBondContact CD1-O 3.45Å; I735-Q738 HydrophobicContact CG2-CB 3.83Å; I735-Q738 HydrophobicContact CG2-CG 4.31Å; Q738-L746 HydrophobicContact CB-CD1 4.26Å; Q738-S748 PolarHBondContact NE2-OG 2.98Å; Q738-Y761 PolarHBondContact NE2-O 2.73Å
739	F	98.9	Very high	97.4	Very high	3 Å²	3	24 Å²	24	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.2	176.5	64.8	-80.3	0	0	0	111.9	I623 L627 L659 F662 A719 W741 I747	I623-F739 HydrophobicContact CG2-CD1 3.8Å; I623-F739 HydrophobicContact CG2-CE1 4.45Å; I623-F739 HydrophobicContact CG2-CG 4.47Å; L627-F739 HydrophobicContact CD1-CB 4.19Å; L627-F739 HydrophobicContact CD2-CB 3.89Å; L627-F739 HydrophobicContact CG-CB 4.46Å; L659-F739 HydrophobicContact CD1-CE1 3.64Å; L659-F739 HydrophobicContact CD1-CZ 4.15Å; F662-F739 HydrophobicContact CB-CE2 3.99Å; F662-F739 HydrophobicContact CB-CZ 3.6Å; F662-F739 WeakPolarHBondContact O-CE2 3.43Å; A719-F739 HydrophobicContact CB-CD2 4.22Å; A719-F739 HydrophobicContact CB-CE2 4.49Å; F739-W741 AromaticContact CE2-CD1 4Å; F739-I747 HydrophobicContact CD1-CB 4.27Å; F739-I747 HydrophobicContact CD2-CD1 4.27Å; F739-I747 HydrophobicContact CE1-CB 3.93Å; F739-I747 HydrophobicContact CE1-CG2 3.84Å; F739-I747 HydrophobicContact CE2-CB 4.29Å; F739-I747 HydrophobicContact CE2-CD1 4.04Å; F739-I747 HydrophobicContact CE2-CG1 4.13Å; F739-I747 HydrophobicContact CZ-CB 3.96Å; F739-I747 HydrophobicContact CZ-CG1 4.11Å; F739-I747 HydrophobicContact CZ-CG2 3.97Å; F739-I747 PolarHBondContact N-O 2.9Å; F739-I747 PolarHBondContact O-N 3.4Å
740	L	98.9	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.8	175.8	-63.2	157.1	0	0	0	111.1	A719 R720 L722 E725 F726 G742 L745 L746 W767	A719-L740 CarbonylContact C-O 3.49Å; A719-L740 VanDerWaalsContact CA-O 3.31Å; A719-L740 WeakPolarHBondContact CA-O 3.28Å; R720-L740 HydrophobicContact CG-CB 3.77Å; R720-L740 HydrophobicContact CG-CD1 4.25Å; R720-L740 PolarHBondContact N-O 3.17Å; R720-L740 PolarHBondContact O-N 3.38Å; L722-L740 HydrophobicContact CD1-CG 4.35Å; E725-L740 HydrophobicContact CB-CD1 3.62Å; E725-L740 HydrophobicContact CG-CD1 4.08Å; F726-L740 HydrophobicContact CD2-CD1 4.46Å; F726-L740 HydrophobicContact CE2-CD1 4.05Å; L740-G742 VanDerWaalsContact CB-O 3.31Å; L740-G742 WeakPolarHBondContact CB-O 3.45Å; L740-L745 CarbonylContact C-O 3.53Å; L740-L745 WeakPolarHBondContact CA-O 3.36Å; L740-L746 HydrophobicContact CD2-CB 3.85Å; L740-L746 HydrophobicContact CD2-CD1 4.07Å; L740-L746 HydrophobicContact CG-CD1 4.46Å; L740-W767 HydrophobicContact CD2-CH2 4.06Å; L740-W767 HydrophobicContact CD2-CZ3 4.36Å
741	W	98.9	Very high	97.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.6	151.5	-87.1	7.2	0	0	0	108.5	F662 L700 F703 L704 L707 V718 F739 L745 I747	F662-W741 VanDerWaalsContact CA-CZ2 3.45Å; F662-W741 HydrophobicContact CB-CZ2 4.2Å; F662-W741 HydrophobicContact CD1-CD2 4.35Å; F662-W741 HydrophobicContact CD1-CE3 4.26Å; F662-W741 HydrophobicContact CD1-CH2 4.11Å; F662-W741 HydrophobicContact CD1-CZ2 4.22Å; F662-W741 HydrophobicContact CD1-CZ3 4.14Å; F662-W741 VanDerWaalsContact O-CE2 3.3Å; F662-W741 WeakPolarHBondContact O-CZ2 3.37Å; F662-W741 PolarHBondContact O-NE1 3.47Å; L700-W741 HydrophobicContact CB-CZ3 4.05Å; L700-W741 HydrophobicContact CD1-CZ3 4.29Å; F703-W741 HydrophobicContact CD1-CE3 4.44Å; F703-W741 HydrophobicContact CE1-CB 4.01Å; L704-W741 HydrophobicContact CB-CH2 4.39Å; L704-W741 HydrophobicContact CB-CZ3 4.17Å; L704-W741 HydrophobicContact CD1-CD2 4.07Å; L704-W741 HydrophobicContact CD1-CE3 4.26Å; L704-W741 HydrophobicContact CD1-CH2 4.07Å; L704-W741 HydrophobicContact CD1-CZ2 3.82Å; L704-W741 HydrophobicContact CD1-CZ3 4.27Å; L704-W741 HydrophobicContact CD2-CH2 3.76Å; L704-W741 HydrophobicContact CD2-CZ2 3.99Å; L704-W741 HydrophobicContact CD2-CZ3 4.38Å; L704-W741 HydrophobicContact CG-CH2 4.29Å; L704-W741 HydrophobicContact CG-CZ2 4.45Å; L707-W741 HydrophobicContact CD1-CB 3.88Å; L707-W741 HydrophobicContact CD1-CG 4.41Å; V718-W741 WeakPolarHBondContact O-CA 3.36Å; F739-W741 AromaticContact CE2-CD1 4Å; W741-L745 HydrophobicContact CB-CB 4.2Å; W741-L745 HydrophobicContact CB-CD2 4.39Å; W741-L745 HydrophobicContact CE3-CD2 4.05Å; W741-L745 PolarHBondContact N-O 3.26Å; W741-L745 PolarHBondContact O-N 3.14Å; W741-I747 HydrophobicContact CB-CD1 4.43Å; W741-I747 HydrophobicContact CG-CD1 4.37Å
742	G	98.3	Very high	97.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-143.1	-172.1	0	0	0	0	0	112.3	V718 R720 L740	V718-G742 PolarHBondContact O-N 3.15Å; R720-G742 WeakPolarHBondContact CD-O 3.4Å; R720-G742 WeakPolarHBondContact CG-O 3.36Å; R720-G742 PolarHBondContact NE-O 3.49Å; L740-G742 VanDerWaalsContact CB-O 3.31Å; L740-G742 WeakPolarHBondContact CB-O 3.45Å
743	S	97.3	Very high	98	Very high	36 Å²	36	27.7 Å²	27.7	25%	0.252	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.1	178.7	59.9	0	0	0	0	114.6	E725 R797 H800	E725-S743 VanDerWaalsContact CD-CB 3.46Å; E725-S743 WeakPolarHBondContact OE2-CA 3.36Å; E725-S743 WeakPolarHBondContact OE2-CB 3.45Å; S743-R797 VanDerWaalsContact O-CD 3.32Å; S743-R797 WeakPolarHBondContact O-CD 3.14Å; S743-R797 PolarHBondContact O-NH1 2.92Å; S743-R797 VanDerWaalsContact O-NH1 3.07Å; S743-H800 PolarHBondContact OG-NE2 2.95Å; S743-H800 VanDerWaalsContact OG-NE2 3.09Å
744	S	97.8	Very high	98.2	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.028	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-21.9	-150.5	65.2	0	0	0	0	116.1	F703 V796 R797 H800 I802	F703-S744 WeakPolarHBondContact CZ-OG 3.45Å; S744-V796 CarbonylContact O-C 3.15Å; S744-V796 WeakPolarHBondContact O-CA 3.38Å; S744-R797 PolarHBondContact O-N 3.03Å; S744-H800 WeakPolarHBondContact CB-CD2 3.43Å; S744-H800 VanDerWaalsContact CB-CG 3.46Å; S744-I802 WeakPolarHBondContact OG-CD1 3.28Å
745	L	98.8	Very high	98.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.3	-175.6	-166.7	74.8	0	0	0	110.4	F662 L700 F703 L740 W741 I747 L770 V794 H795 V796	F662-L745 HydrophobicContact CE1-CD2 4.34Å; L700-L745 HydrophobicContact CD1-CD2 4.08Å; F703-L745 HydrophobicContact CE1-CB 4.2Å; F703-L745 HydrophobicContact CE1-CD2 4.47Å; L740-L745 CarbonylContact C-O 3.53Å; L740-L745 WeakPolarHBondContact CA-O 3.36Å; W741-L745 HydrophobicContact CB-CB 4.2Å; W741-L745 HydrophobicContact CB-CD2 4.39Å; W741-L745 HydrophobicContact CE3-CD2 4.05Å; W741-L745 PolarHBondContact N-O 3.26Å; W741-L745 PolarHBondContact O-N 3.14Å; L745-I747 HydrophobicContact CD2-CD1 4.46Å; L745-I747 HydrophobicContact CG-CD1 4.38Å; L745-I747 WeakPolarHBondContact O-CD1 3.44Å; L745-L770 HydrophobicContact CD1-CD2 4.17Å; L745-V794 HydrophobicContact CD1-CG1 3.68Å; L745-V794 HydrophobicContact CD2-CG1 4.12Å; L745-V794 HydrophobicContact CG-CG1 3.83Å; L745-H795 CarbonylContact C-O 3.52Å; L745-H795 WeakPolarHBondContact CA-O 3.38Å; L745-V796 HydrophobicContact CD1-CG2 3.91Å
746	L	98.9	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.5	-179	176.4	65.2	0	0	0	111	L722 Q738 L740 L762 W767 V794 H795	L722-L746 HydrophobicContact CD1-CD1 3.92Å; L722-L746 HydrophobicContact CD2-CD1 4.23Å; L722-L746 HydrophobicContact CG-CD1 4.29Å; Q738-L746 HydrophobicContact CB-CD1 4.26Å; L740-L746 HydrophobicContact CD2-CB 3.85Å; L740-L746 HydrophobicContact CD2-CD1 4.07Å; L740-L746 HydrophobicContact CG-CD1 4.46Å; L746-L762 HydrophobicContact CD2-CD2 3.62Å; L746-W767 HydrophobicContact CB-CE3 3.97Å; L746-W767 HydrophobicContact CB-CH2 4.09Å; L746-W767 HydrophobicContact CB-CZ3 3.48Å; L746-W767 VanDerWaalsContact CB-CZ3 3.48Å; L746-W767 HydrophobicContact CD2-CD2 4.43Å; L746-W767 HydrophobicContact CD2-CE3 4.21Å; L746-W767 HydrophobicContact CD2-CH2 4.29Å; L746-W767 HydrophobicContact CD2-CZ3 4.14Å; L746-W767 HydrophobicContact CG-CZ3 4.44Å; L746-V794 WeakPolarHBondContact O-CA 3.27Å; L746-H795 HydrophobicContact CB-CB 4.47Å; L746-H795 PolarHBondContact N-O 2.85Å; L746-H795 PolarHBondContact O-N 2.99Å
747	I	98.9	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.7	178.7	-59.9	73.9	0	0	0	108.4	F662 F739 W741 L745 I792	F662-I747 HydrophobicContact CB-CG1 3.89Å; F662-I747 HydrophobicContact CB-CG2 4.32Å; F662-I747 HydrophobicContact CD1-CD1 4.19Å; F662-I747 HydrophobicContact CD1-CG1 3.64Å; F662-I747 HydrophobicContact CD2-CG1 4.2Å; F662-I747 HydrophobicContact CD2-CG2 4.05Å; F662-I747 HydrophobicContact CE1-CG1 4.24Å; F662-I747 HydrophobicContact CG-CG1 3.62Å; F662-I747 HydrophobicContact CG-CG2 4.17Å; F739-I747 HydrophobicContact CD1-CB 4.27Å; F739-I747 HydrophobicContact CD2-CD1 4.27Å; F739-I747 HydrophobicContact CE1-CB 3.93Å; F739-I747 HydrophobicContact CE1-CG2 3.84Å; F739-I747 HydrophobicContact CE2-CB 4.29Å; F739-I747 HydrophobicContact CE2-CD1 4.04Å; F739-I747 HydrophobicContact CE2-CG1 4.13Å; F739-I747 HydrophobicContact CZ-CB 3.96Å; F739-I747 HydrophobicContact CZ-CG1 4.11Å; F739-I747 HydrophobicContact CZ-CG2 3.97Å; F739-I747 PolarHBondContact N-O 2.9Å; F739-I747 PolarHBondContact O-N 3.4Å; W741-I747 HydrophobicContact CB-CD1 4.43Å; W741-I747 HydrophobicContact CG-CD1 4.37Å; L745-I747 HydrophobicContact CD2-CD1 4.46Å; L745-I747 HydrophobicContact CG-CD1 4.38Å; L745-I747 WeakPolarHBondContact O-CD1 3.44Å; I747-I792 HydrophobicContact CG2-CD1 3.87Å; I747-I792 HydrophobicContact CG2-CG1 4.49Å
748	S	98.8	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	90.6	179	-55.1	0	0	0	0	109.5	Q738 N793	Q738-S748 PolarHBondContact NE2-OG 2.98Å; S748-N793 PolarHBondContact N-O 2.8Å; S748-N793 WeakPolarHBondContact O-CB 3.45Å; S748-N793 PolarHBondContact O-N 3.35Å
749	P	98.7	Very high	98.4	Very high	10 Å²	10	33.4 Å²	33.4	7%	0.065	19%	0.194	C	C	.	.			trans	-82	157.9	-175.6	34.4	-35.8	0	0	0	112.8	I623 L659 Q737 L751 I792	I623-P749 HydrophobicContact CD1-CG 3.74Å; L659-P749 HydrophobicContact CB-CB 4.36Å; L659-P749 HydrophobicContact CD1-CB 4.07Å; L659-P749 HydrophobicContact CD1-CG 4.04Å; Q737-P749 WeakPolarHBondContact O-CD 3.47Å; P749-L751 HydrophobicContact CB-CD2 3.96Å; P749-L751 HydrophobicContact CB-CG 4.38Å; P749-L751 HydrophobicContact CG-CD1 4.12Å; P749-L751 HydrophobicContact CG-CD2 3.76Å; P749-L751 HydrophobicContact CG-CG 3.95Å; P749-I792 HydrophobicContact CB-CD1 4.07Å
750	V	98.8	Very high	98.4	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.03	19%	0.194	C	C	.	.			trans	-84.7	124.7	164.1	172.6	0	0	0	0	108.7	A755 L758 A787	V750-A755 HydrophobicContact CG1-CB 3.71Å; V750-L758 HydrophobicContact CG2-CD2 3.58Å; V750-A787 HydrophobicContact CG2-CB 3.52Å
751	L	98.6	Very high	98.4	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.063	19%	0.194	C	C	.	.			trans	-120.1	9.4	-173.8	-56.3	176.2	0	0	0	113.3	L619 R620 I623 L659 Q737 P749	L619-L751 HydrophobicContact CD2-CD2 4.12Å; L619-L751 HydrophobicContact CG-CD2 3.96Å; R620-L751 HydrophobicContact CB-CB 4.35Å; R620-L751 HydrophobicContact CB-CD1 4.4Å; R620-L751 HydrophobicContact CG-CD1 4.07Å; I623-L751 HydrophobicContact CD1-CD1 3.76Å; I623-L751 HydrophobicContact CD1-CD2 4.04Å; L659-L751 HydrophobicContact CD2-CD2 4.1Å; Q737-L751 HydrophobicContact CB-CD1 3.82Å; Q737-L751 HydrophobicContact CG-CD1 4.04Å; P749-L751 HydrophobicContact CB-CD2 3.96Å; P749-L751 HydrophobicContact CB-CG 4.38Å; P749-L751 HydrophobicContact CG-CD1 4.12Å; P749-L751 HydrophobicContact CG-CD2 3.76Å; P749-L751 HydrophobicContact CG-CG 3.95Å
752	E	98.1	Very high	98.4	Very high	131 Å²	131	33.5 Å²	33.5	61%	0.612	19%	0.194	S	C	*	.	S	Bend	trans	-129.8	147.1	-178.7	-63.3	-171.8	170.7	0	0	111.4	W616 A755	W616-E752 WeakPolarHBondContact CZ3-O 3.47Å; E752-A755 HydrophobicContact CB-CB 4.33Å
753	Q	98.4	Very high	98.4	Very high	126 Å²	126	33.4 Å²	33.4	59%	0.589	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	137.4	-179.3	-164.5	171.6	9	0	0	112.2	W616 E651 A755	W616-Q753 HydrophobicContact CD2-CB 4.19Å; W616-Q753 HydrophobicContact CG-CB 4.48Å; W616-Q753 HydrophobicContact CZ2-CB 3.87Å; W616-Q753 HydrophobicContact CZ2-CG 3.81Å; E651-Q753 VanDerWaalsContact OE2-CG 3.24Å; E651-Q753 WeakPolarHBondContact OE2-CG 3.47Å; E651-Q753 PolarHBondContact OE2-NE2 3.33Å; Q753-A755 PolarHBondContact O-N 2.95Å
754	G	98.4	Very high	98.4	Very high	53 Å²	53	34.5 Å²	34.5	55%	0.546	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-3.9	178.6	0	0	0	0	0	114.4	E651	E651-G754 VanDerWaalsContact OE1-CA 3.3Å; E651-G754 WeakPolarHBondContact OE1-CA 3.18Å; E651-G754 PolarHBondContact OE1-N 3.27Å
755	A	98.4	Very high	98.3	Very high	22 Å²	22	35.5 Å²	35.5	18%	0.182	22%	0.216	C	C	.	.			trans	-72.6	130	-177.7	0	0	0	0	0	111.8	R655 V750 E752 Q753	R655-A755 PolarHBondContact NH2-O 3.38Å; V750-A755 HydrophobicContact CG1-CB 3.71Å; E752-A755 HydrophobicContact CB-CB 4.33Å; Q753-A755 PolarHBondContact O-N 2.95Å
756	V	98.3	Very high	98.3	Very high	91 Å²	91	36.1 Å²	36.1	55%	0.552	22%	0.219	S	C	*	.	S	Bend	trans	-118.8	3.3	178.3	-62.1	0	0	0	0	112.8	A787	V756-A787 CarbonylContact C-O 3.58Å; V756-A787 WeakPolarHBondContact CA-O 3.28Å; V756-A787 CarbonylContact O-C 3.55Å; V756-A787 WeakPolarHBondContact O-CA 3.29Å; V756-A787 PolarHBondContact O-N 3.43Å
757	E	98.2	Very high	98.3	Very high	120 Å²	120	36.1 Å²	36.1	56%	0.561	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149	160.5	173	60.3	-178	-169.9	0	0	108.6	L785	E757-L785 CarbonylContact C-O 3.51Å; E757-L785 WeakPolarHBondContact CA-O 3.09Å; E757-L785 WeakPolarHBondContact CB-O 3.39Å
758	L	97.7	Very high	98.3	Very high	27 Å²	27	36.6 Å²	36.6	14%	0.141	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.6	177.2	71.2	101	0	0	0	111.9	V750 A760 Q784 L785 A787	V750-L758 HydrophobicContact CG2-CD2 3.58Å; L758-A760 HydrophobicContact CD1-CB 3.77Å; L758-A760 PolarHBondContact O-N 2.89Å; L758-Q784 PolarHBondContact O-OE1 3.44Å; L758-L785 PolarHBondContact N-O 2.85Å; L758-L785 PolarHBondContact O-N 2.89Å; L758-A787 HydrophobicContact CD2-CB 3.73Å; L758-A787 HydrophobicContact CG-CB 4.49Å
759	S	97.8	Very high	98.2	Very high	61 Å²	61	38 Å²	38	43%	0.427	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	103.1	175.8	-167.3	0	0	0	0	109.9
760	A	98.2	Very high	98.2	Very high	1 Å²	1	38 Å²	38	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.7	-179.5	0	0	0	0	0	110.9	L758 L762 Y782 V783 L785	L758-A760 HydrophobicContact CD1-CB 3.77Å; L758-A760 PolarHBondContact O-N 2.89Å; A760-L762 PolarHBondContact O-N 3.05Å; A760-Y782 CarbonylContact O-C 3.55Å; A760-Y782 WeakPolarHBondContact O-CA 3.48Å; A760-V783 PolarHBondContact N-O 3.33Å; A760-V783 PolarHBondContact O-N 2.93Å; A760-L785 HydrophobicContact CB-CD1 3.5Å; A760-L785 VanDerWaalsContact CB-CD1 3.5Å; A760-L785 HydrophobicContact CB-CG 4.16Å
761	Y	98.7	Very high	98	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.2	165.3	-163.9	-104.1	0	0	0	109.8	D729 H731 I735 Q738 P763 G780 Y782	D729-Y761 PolarHBondContact OD1-OH 3.03Å; D729-Y761 WeakPolarHBondContact OD2-CE1 3.27Å; D729-Y761 PolarHBondContact OD2-OH 2.87Å; H731-Y761 HydrophobicContact CB-CD1 4.42Å; H731-Y761 HydrophobicContact CB-CD2 4.16Å; H731-Y761 HydrophobicContact CB-CE1 3.91Å; H731-Y761 HydrophobicContact CB-CE2 3.61Å; H731-Y761 VanDerWaalsContact CB-CZ 3.46Å; H731-Y761 AromaticContact CG-CE2 3.68Å; H731-Y761 AromaticContact CG-CZ 3.73Å; H731-Y761 AromaticContact ND1-CE2 3.97Å; H731-Y761 AromaticContact ND1-CZ 3.76Å; H731-Y761 PolarHBondContact ND1-OH 3Å; H731-Y761 VanDerWaalsContact ND1-OH 3.13Å; I735-Y761 VanDerWaalsContact CD1-CB 3.47Å; I735-Y761 HydrophobicContact CD1-CD1 3.82Å; I735-Y761 HydrophobicContact CD1-CG 3.72Å; Q738-Y761 PolarHBondContact NE2-O 2.73Å; Y761-P763 HydrophobicContact CD1-CG 4.25Å; Y761-P763 HydrophobicContact CE1-CG 4.35Å; Y761-G780 WeakPolarHBondContact OH-CA 3.33Å; Y761-G780 PolarHBondContact OH-O 2.91Å; Y761-Y782 HydrophobicContact CD2-CD1 4.34Å; Y761-Y782 AromaticContact CD2-CD2 3.66Å; Y761-Y782 HydrophobicContact CD2-CD2 3.66Å; Y761-Y782 HydrophobicContact CD2-CE1 4.29Å; Y761-Y782 AromaticContact CD2-CE2 3.59Å; Y761-Y782 HydrophobicContact CD2-CE2 3.59Å; Y761-Y782 HydrophobicContact CD2-CG 4.03Å; Y761-Y782 AromaticContact CD2-CZ 3.92Å; Y761-Y782 HydrophobicContact CE2-CD2 4.29Å; Y761-Y782 HydrophobicContact CE2-CE2 4.27Å; Y761-Y782 HydrophobicContact CG-CE2 4.47Å
762	L	98.6	Very high	97.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114.2	168.7	-60.9	-173.6	0	0	0	107.8	L746 A760 W767 F776 S778 G780 Q781 V783	L746-L762 HydrophobicContact CD2-CD2 3.62Å; A760-L762 PolarHBondContact O-N 3.05Å; L762-W767 HydrophobicContact CD1-CB 4.49Å; L762-W767 HydrophobicContact CD2-CG 4.48Å; L762-F776 HydrophobicContact CD1-CB 3.73Å; L762-F776 HydrophobicContact CD1-CD1 4.39Å; L762-F776 HydrophobicContact CD1-CG 4.22Å; L762-S778 WeakPolarHBondContact O-CB 3.42Å; L762-S778 PolarHBondContact O-OG 3.08Å; L762-G780 WeakPolarHBondContact O-CA 3.41Å; L762-Q781 PolarHBondContact N-O 2.87Å; L762-Q781 PolarHBondContact O-N 3.28Å; L762-Q781 VanDerWaalsContact O-N 3.14Å; L762-V783 HydrophobicContact CD1-CB 4.28Å; L762-V783 HydrophobicContact CD1-CG2 3.92Å; L762-V783 HydrophobicContact CG-CG2 4.22Å
763	P	98.3	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.24	C	C	.	.			trans	-58.4	161.8	173.5	-24.4	33.8	0	0	0	112.4	L722 F726 Y761 G765 W767 S778	L722-P763 HydrophobicContact CD2-CG 4.15Å; F726-P763 HydrophobicContact CD1-CB 3.63Å; F726-P763 HydrophobicContact CD1-CG 4.34Å; F726-P763 HydrophobicContact CD2-CB 3.91Å; F726-P763 HydrophobicContact CD2-CG 3.69Å; F726-P763 HydrophobicContact CE1-CB 3.57Å; F726-P763 HydrophobicContact CE1-CG 4.28Å; F726-P763 HydrophobicContact CE2-CB 3.88Å; F726-P763 HydrophobicContact CE2-CG 3.64Å; F726-P763 HydrophobicContact CG-CB 3.81Å; F726-P763 HydrophobicContact CG-CG 4.07Å; F726-P763 HydrophobicContact CZ-CB 3.72Å; F726-P763 HydrophobicContact CZ-CG 3.95Å; Y761-P763 HydrophobicContact CD1-CG 4.25Å; Y761-P763 HydrophobicContact CE1-CG 4.35Å; P763-G765 PolarHBondContact O-N 3.22Å; P763-W767 HydrophobicContact CB-CZ2 4.11Å; P763-W767 HydrophobicContact CG-CZ2 3.97Å; P763-W767 PolarHBondContact O-NE1 2.81Å; P763-S778 WeakPolarHBondContact O-CB 3.23Å
764	A	97.5	Very high	97.7	Very high	59 Å²	59	38 Å²	38	49%	0.488	23%	0.228	S	C	.	.	S	Bend	trans	-57	131.8	-177.7	0	0	0	0	0	113	S778	A764-S778 WeakPolarHBondContact CA-O 3.21Å
765	G	96.7	Very high	97.7	Very high	25 Å²	25	36.7 Å²	36.7	26%	0.258	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.6	180	-174.3	0	0	0	0	0	112.8	P763 S778	P763-G765 PolarHBondContact O-N 3.22Å; G765-S778 PolarHBondContact N-O 2.78Å; G765-S778 PolarHBondContact O-N 3.45Å
766	T	98.3	Very high	97.6	Very high	12 Å²	12	38 Å²	38	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132	174.2	-51.5	0	0	0	0	110.2	Y768 P775 F776 H777 E798	T766-Y768 HydrophobicContact CG2-CD2 4.31Å; T766-Y768 HydrophobicContact CG2-CE1 4.1Å; T766-Y768 HydrophobicContact CG2-CE2 3.73Å; T766-P775 HydrophobicContact CG2-CB 4.28Å; T766-F776 WeakPolarHBondContact CA-O 3.41Å; T766-H777 WeakPolarHBondContact CG2-ND1 3.35Å; T766-H777 PolarHBondContact OG1-ND1 2.96Å; T766-E798 WeakPolarHBondContact CB-OE1 3.07Å; T766-E798 PolarHBondContact N-OE1 2.76Å; T766-E798 WeakPolarHBondContact O-CB 3.43Å; T766-E798 PolarHBondContact O-N 2.85Å; T766-E798 PolarHBondContact OG1-OE1 3.12Å
767	W	98.6	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.1	178	-67.2	90.7	0	0	0	108.6	F726 L740 L746 L762 P763 F776 H795 R797	F726-W767 HydrophobicContact CE1-CZ2 4.5Å; F726-W767 HydrophobicContact CE2-CH2 4.18Å; F726-W767 HydrophobicContact CE2-CZ2 4.13Å; F726-W767 AromaticContact CZ-CH2 3.91Å; F726-W767 HydrophobicContact CZ-CH2 3.91Å; F726-W767 AromaticContact CZ-CZ2 3.63Å; F726-W767 HydrophobicContact CZ-CZ2 3.63Å; L740-W767 HydrophobicContact CD2-CH2 4.06Å; L740-W767 HydrophobicContact CD2-CZ3 4.36Å; L746-W767 HydrophobicContact CB-CE3 3.97Å; L746-W767 HydrophobicContact CB-CH2 4.09Å; L746-W767 HydrophobicContact CB-CZ3 3.48Å; L746-W767 VanDerWaalsContact CB-CZ3 3.48Å; L746-W767 HydrophobicContact CD2-CD2 4.43Å; L746-W767 HydrophobicContact CD2-CE3 4.21Å; L746-W767 HydrophobicContact CD2-CH2 4.29Å; L746-W767 HydrophobicContact CD2-CZ3 4.14Å; L746-W767 HydrophobicContact CG-CZ3 4.44Å; L762-W767 HydrophobicContact CD1-CB 4.49Å; L762-W767 HydrophobicContact CD2-CG 4.48Å; P763-W767 HydrophobicContact CB-CZ2 4.11Å; P763-W767 HydrophobicContact CG-CZ2 3.97Å; P763-W767 PolarHBondContact O-NE1 2.81Å; W767-F776 HydrophobicContact CB-CB 4.44Å; W767-F776 PolarHBondContact N-O 3.48Å; W767-F776 WeakPolarHBondContact O-CB 3.21Å; W767-F776 PolarHBondContact O-N 2.85Å; W767-H795 HydrophobicContact CB-CB 4.13Å; W767-H795 HydrophobicContact CE3-CB 4.02Å; W767-R797 HydrophobicContact CE3-CB 3.88Å; W767-R797 HydrophobicContact CE3-CG 4.35Å; W767-R797 HydrophobicContact CH2-CB 3.85Å; W767-R797 HydrophobicContact CH2-CG 3.85Å; W767-R797 HydrophobicContact CZ2-CB 4.46Å; W767-R797 HydrophobicContact CZ2-CG 4.04Å; W767-R797 HydrophobicContact CZ3-CB 3.52Å; W767-R797 HydrophobicContact CZ3-CG 4.01Å
768	Y	98.7	Very high	97.6	Very high	11 Å²	11	34.3 Å²	34.3	4%	0.043	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.9	-178.8	-62.9	-86	0	0	0	109.7	T766 L770 Q774 P775 H795 V796 E798 A824 L825 F885	T766-Y768 HydrophobicContact CG2-CD2 4.31Å; T766-Y768 HydrophobicContact CG2-CE1 4.1Å; T766-Y768 HydrophobicContact CG2-CE2 3.73Å; Y768-L770 PolarHBondContact O-N 2.92Å; Y768-Q774 WeakPolarHBondContact CA-O 3.33Å; Y768-P775 HydrophobicContact CD1-CB 3.97Å; Y768-P775 HydrophobicContact CE1-CB 3.81Å; Y768-H795 CarbonylContact O-C 3.45Å; Y768-H795 VanDerWaalsContact O-CA 3.29Å; Y768-H795 WeakPolarHBondContact O-CA 3.33Å; Y768-V796 PolarHBondContact N-O 2.67Å; Y768-V796 PolarHBondContact O-N 3.16Å; Y768-E798 HydrophobicContact CE2-CB 4.03Å; Y768-A824 HydrophobicContact CD2-CB 3.74Å; Y768-A824 HydrophobicContact CE2-CB 4.17Å; Y768-L825 WeakPolarHBondContact CE2-O 3.49Å; Y768-L825 PolarHBondContact OH-O 2.8Å; Y768-L825 VanDerWaalsContact OH-O 3.14Å; Y768-F885 VanDerWaalsContact CB-CD2 3.46Å; Y768-F885 HydrophobicContact CD1-CB 3.54Å; Y768-F885 HydrophobicContact CD1-CD2 4.28Å; Y768-F885 HydrophobicContact CD1-CG 4.26Å; Y768-F885 HydrophobicContact CD2-CB 4.34Å; Y768-F885 HydrophobicContact CD2-CD2 4.48Å; Y768-F885 HydrophobicContact CE1-CB 3.8Å; Y768-F885 HydrophobicContact CG-CB 3.82Å; Y768-F885 AromaticContact CG-CD2 3.85Å; Y768-F885 HydrophobicContact CG-CD2 3.85Å; Y768-F885 HydrophobicContact CG-CG 4.27Å
769	Q	98.1	Very high	97.5	Very high	30 Å²	30	39.8 Å²	39.8	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	122.5	173.8	-177.8	177.1	21.8	0	0	109.6	E771 N772 G773 Q774 F776	Q769-E771 VanDerWaalsContact C-N 3.28Å; Q769-E771 PolarHBondContact O-N 3.47Å; Q769-N772 WeakPolarHBondContact CB-OD1 3.22Å; Q769-N772 PolarHBondContact O-N 3.24Å; Q769-N772 PolarHBondContact OE1-ND2 3.49Å; Q769-N772 PolarHBondContact OE1-OD1 3.03Å; Q769-G773 VanDerWaalsContact O-CA 3.31Å; Q769-G773 WeakPolarHBondContact O-CA 3.5Å; Q769-G773 PolarHBondContact O-N 2.85Å; Q769-Q774 HydrophobicContact CB-CB 4.18Å; Q769-Q774 PolarHBondContact N-O 3.34Å; Q769-F776 HydrophobicContact CB-CE2 4.21Å
770	L	98	Very high	97.5	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.047	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.9	-168.6	174.7	62.3	0	0	0	113.1	L696 L700 L745 Y768 N772 V794 V796 T822	L696-L770 HydrophobicContact CD1-CD2 3.81Å; L700-L770 HydrophobicContact CD1-CD2 4.21Å; L700-L770 HydrophobicContact CD2-CD2 4.43Å; L745-L770 HydrophobicContact CD1-CD2 4.17Å; Y768-L770 PolarHBondContact O-N 2.92Å; L770-N772 PolarHBondContact O-N 2.88Å; L770-V794 HydrophobicContact CB-CB 4.41Å; L770-V794 HydrophobicContact CB-CG1 4.21Å; L770-V794 HydrophobicContact CD2-CG1 3.91Å; L770-V794 PolarHBondContact N-O 3.25Å; L770-V796 HydrophobicContact CB-CG2 4.09Å; L770-V796 HydrophobicContact CD1-CG2 3.56Å; L770-V796 HydrophobicContact CG-CG2 4.37Å; L770-T822 HydrophobicContact CD1-CG2 4.07Å
771	E	94.6	Very high	97.5	Very high	150 Å²	150	41.1 Å²	41.1	70%	0.701	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-35.8	-174.9	-172.4	-174.2	164.5	0	0	113.9	Q769	Q769-E771 VanDerWaalsContact C-N 3.28Å; Q769-E771 PolarHBondContact O-N 3.47Å
772	N	94.8	Very high	97.4	Very high	49 Å²	49	46.8 Å²	46.8	26%	0.262	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	-5.6	-165	63	23.5	0	0	0	114.5	Q769 L770 Q774 V912	Q769-N772 WeakPolarHBondContact CB-OD1 3.22Å; Q769-N772 PolarHBondContact O-N 3.24Å; Q769-N772 PolarHBondContact OE1-ND2 3.49Å; Q769-N772 PolarHBondContact OE1-OD1 3.03Å; L770-N772 PolarHBondContact O-N 2.88Å; N772-Q774 VanDerWaalsContact C-N 3.31Å; N772-Q774 PolarHBondContact O-N 2.96Å; N772-Q774 WeakPolarHBondContact OD1-CB 3.5Å; N772-Q774 PolarHBondContact OD1-N 3.25Å; N772-V912 WeakPolarHBondContact O-CG2 3.35Å
773	G	97.1	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.			trans	68.3	19.6	-176.9	0	0	0	0	0	115.2	Q769 P775	Q769-G773 VanDerWaalsContact O-CA 3.31Å; Q769-G773 WeakPolarHBondContact O-CA 3.5Å; Q769-G773 PolarHBondContact O-N 2.85Å; G773-P775 WeakPolarHBondContact O-CD 3.32Å
774	Q	97.4	Very high	97.4	Very high	74 Å²	74	53.9 Å²	53.9	35%	0.346	28%	0.28	S	S	.	.			trans	-60.4	122.2	176.3	178	62.7	19.8	0	0	110.2	Y768 Q769 N772 F776	Y768-Q774 WeakPolarHBondContact CA-O 3.33Å; Q769-Q774 HydrophobicContact CB-CB 4.18Å; Q769-Q774 PolarHBondContact N-O 3.34Å; N772-Q774 VanDerWaalsContact C-N 3.31Å; N772-Q774 PolarHBondContact O-N 2.96Å; N772-Q774 WeakPolarHBondContact OD1-CB 3.5Å; N772-Q774 PolarHBondContact OD1-N 3.25Å; Q774-F776 HydrophobicContact CB-CE2 4.33Å; Q774-F776 HydrophobicContact CG-CE2 3.87Å; Q774-F776 HydrophobicContact CG-CZ 4.28Å; Q774-F776 WeakPolarHBondContact O-CD2 3.37Å
775	P	97.4	Very high	97.4	Very high	27 Å²	27	51.3 Å²	51.3	18%	0.175	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.6	-178.2	31.2	-33.8	0	0	0	112.7	T766 Y768 G773	T766-P775 HydrophobicContact CG2-CB 4.28Å; Y768-P775 HydrophobicContact CD1-CB 3.97Å; Y768-P775 HydrophobicContact CE1-CB 3.81Å; G773-P775 WeakPolarHBondContact O-CD 3.32Å
776	F	97.6	Very high	97.5	Very high	48 Å²	48	54.3 Å²	54.3	21%	0.211	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.7	169.2	-66.4	-98.2	0	0	0	108.5	L762 T766 W767 Q769 Q774 V783 L785 H795	L762-F776 HydrophobicContact CD1-CB 3.73Å; L762-F776 HydrophobicContact CD1-CD1 4.39Å; L762-F776 HydrophobicContact CD1-CG 4.22Å; T766-F776 WeakPolarHBondContact CA-O 3.41Å; W767-F776 HydrophobicContact CB-CB 4.44Å; W767-F776 PolarHBondContact N-O 3.48Å; W767-F776 WeakPolarHBondContact O-CB 3.21Å; W767-F776 PolarHBondContact O-N 2.85Å; Q769-F776 HydrophobicContact CB-CE2 4.21Å; Q774-F776 HydrophobicContact CB-CE2 4.33Å; Q774-F776 HydrophobicContact CG-CE2 3.87Å; Q774-F776 HydrophobicContact CG-CZ 4.28Å; Q774-F776 WeakPolarHBondContact O-CD2 3.37Å; F776-V783 HydrophobicContact CD1-CG1 4.23Å; F776-V783 HydrophobicContact CE1-CG1 4.4Å; F776-L785 HydrophobicContact CD1-CD2 4.25Å; F776-L785 HydrophobicContact CE1-CD2 3.62Å; F776-L785 HydrophobicContact CZ-CD2 3.95Å; F776-H795 AromaticContact CD2-CD2 3.85Å; F776-H795 AromaticContact CD2-NE2 3.68Å; F776-H795 AromaticContact CE2-NE2 3.56Å
777	H	97.1	Very high	97.5	Very high	130 Å²	130	53.8 Å²	53.8	60%	0.602	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	110.4	177.1	-56.8	-65.4	0	0	0	109.6	T766 Q781	T766-H777 WeakPolarHBondContact CG2-ND1 3.35Å; T766-H777 PolarHBondContact OG1-ND1 2.96Å; H777-Q781 PolarHBondContact O-NE2 3.32Å
778	S	97.7	Very high	97.4	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.035	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.5	-177.8	-172	0	0	0	0	112.6	L762 P763 A764 G765 G780 Q781	L762-S778 WeakPolarHBondContact O-CB 3.42Å; L762-S778 PolarHBondContact O-OG 3.08Å; P763-S778 WeakPolarHBondContact O-CB 3.23Å; A764-S778 WeakPolarHBondContact CA-O 3.21Å; G765-S778 PolarHBondContact N-O 2.78Å; G765-S778 PolarHBondContact O-N 3.45Å; S778-G780 PolarHBondContact OG-N 3.45Å; S778-Q781 PolarHBondContact OG-N 2.88Å
779	N	96.6	Very high	97.4	Very high	141 Å²	141	57.8 Å²	57.8	75%	0.754	30%	0.295	S	S	*	.	S	Bend	trans	-99.3	13.1	167.5	-60.7	-63.6	0	0	0	112.4
780	G	97.4	Very high	97.3	Very high	17 Å²	17	62.2 Å²	62.2	18%	0.175	32%	0.316	C	S	.	.	S	Bend	trans	90.5	73	-168.7	0	0	0	0	0	110.7	Y761 L762 S778	Y761-G780 WeakPolarHBondContact OH-CA 3.33Å; Y761-G780 PolarHBondContact OH-O 2.91Å; L762-G780 WeakPolarHBondContact O-CA 3.41Å; S778-G780 PolarHBondContact OG-N 3.45Å
781	Q	97.4	Very high	97.3	Very high	73 Å²	73	63 Å²	63	34%	0.341	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.2	-170.8	71.5	-143.9	9.1	0	0	112.6	L762 H777 S778 V783	L762-Q781 PolarHBondContact N-O 2.87Å; L762-Q781 PolarHBondContact O-N 3.28Å; L762-Q781 VanDerWaalsContact O-N 3.14Å; H777-Q781 PolarHBondContact O-NE2 3.32Å; S778-Q781 PolarHBondContact OG-N 2.88Å; Q781-V783 HydrophobicContact CG-CG2 4.08Å
782	Y	98.2	Very high	97.5	Very high	122 Å²	122	57 Å²	57	48%	0.478	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137	167	-74.5	-86.1	0	0	0	110.8	A760 Y761	A760-Y782 CarbonylContact O-C 3.55Å; A760-Y782 WeakPolarHBondContact O-CA 3.48Å; Y761-Y782 HydrophobicContact CD2-CD1 4.34Å; Y761-Y782 AromaticContact CD2-CD2 3.66Å; Y761-Y782 HydrophobicContact CD2-CD2 3.66Å; Y761-Y782 HydrophobicContact CD2-CE1 4.29Å; Y761-Y782 AromaticContact CD2-CE2 3.59Å; Y761-Y782 HydrophobicContact CD2-CE2 3.59Å; Y761-Y782 HydrophobicContact CD2-CG 4.03Å; Y761-Y782 AromaticContact CD2-CZ 3.92Å; Y761-Y782 HydrophobicContact CE2-CD2 4.29Å; Y761-Y782 HydrophobicContact CE2-CE2 4.27Å; Y761-Y782 HydrophobicContact CG-CE2 4.47Å
783	V	97.8	Very high	97.7	Very high	31 Å²	31	54.9 Å²	54.9	19%	0.188	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	177.7	-178.8	0	0	0	0	108.2	A760 L762 F776 Q781 L785	A760-V783 PolarHBondContact N-O 3.33Å; A760-V783 PolarHBondContact O-N 2.93Å; L762-V783 HydrophobicContact CD1-CB 4.28Å; L762-V783 HydrophobicContact CD1-CG2 3.92Å; L762-V783 HydrophobicContact CG-CG2 4.22Å; F776-V783 HydrophobicContact CD1-CG1 4.23Å; F776-V783 HydrophobicContact CE1-CG1 4.4Å; Q781-V783 HydrophobicContact CG-CG2 4.08Å; V783-L785 HydrophobicContact CB-CD2 4.49Å; V783-L785 HydrophobicContact CG1-CD2 3.88Å; V783-L785 PolarHBondContact O-N 2.98Å
784	Q	98.1	Very high	97.8	Very high	119 Å²	119	55.1 Å²	55.1	56%	0.556	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	122.6	170.8	-71.9	-67.8	6.1	0	0	109.7	L758	L758-Q784 PolarHBondContact O-OE1 3.44Å
785	L	97.9	Very high	97.8	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.1	-178.1	-60.4	179.7	0	0	0	110	E757 L758 A760 F776 V783 A787 N793	E757-L785 CarbonylContact C-O 3.51Å; E757-L785 WeakPolarHBondContact CA-O 3.09Å; E757-L785 WeakPolarHBondContact CB-O 3.39Å; L758-L785 PolarHBondContact N-O 2.85Å; L758-L785 PolarHBondContact O-N 2.89Å; A760-L785 HydrophobicContact CB-CD1 3.5Å; A760-L785 VanDerWaalsContact CB-CD1 3.5Å; A760-L785 HydrophobicContact CB-CG 4.16Å; F776-L785 HydrophobicContact CD1-CD2 4.25Å; F776-L785 HydrophobicContact CE1-CD2 3.62Å; F776-L785 HydrophobicContact CZ-CD2 3.95Å; V783-L785 HydrophobicContact CB-CD2 4.49Å; V783-L785 HydrophobicContact CG1-CD2 3.88Å; V783-L785 PolarHBondContact O-N 2.98Å; L785-A787 PolarHBondContact O-N 2.96Å; L785-N793 HydrophobicContact CD1-CB 3.91Å
786	S	98	Very high	97.9	Very high	89 Å²	89	50.3 Å²	50.3	62%	0.622	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.5	168.7	-175.3	0	0	0	0	109.8	N793	S786-N793 PolarHBondContact O-ND2 2.83Å
787	A	98.2	Very high	97.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.			trans	-149.2	61.7	-175.6	0	0	0	0	0	110.6	R655 V750 V756 L758 L785	R655-A787 PolarHBondContact NH2-O 2.87Å; V750-A787 HydrophobicContact CG2-CB 3.52Å; V756-A787 CarbonylContact C-O 3.58Å; V756-A787 WeakPolarHBondContact CA-O 3.28Å; V756-A787 CarbonylContact O-C 3.55Å; V756-A787 WeakPolarHBondContact O-CA 3.29Å; V756-A787 PolarHBondContact O-N 3.43Å; L758-A787 HydrophobicContact CD2-CB 3.73Å; L758-A787 HydrophobicContact CG-CB 4.49Å; L785-A787 PolarHBondContact O-N 2.96Å
788	P	98.1	Very high	98	Very high	37 Å²	37	46 Å²	46	24%	0.24	24%	0.238	C	C	.	.			trans	-58.8	169.7	174.2	29.9	-37.7	0	0	0	111	R655 E790 T791	R655-P788 PolarHBondContact NH1-O 2.99Å; R655-P788 PolarHBondContact NH2-O 2.81Å; P788-E790 HydrophobicContact CG-CG 4.32Å; P788-E790 PolarHBondContact O-N 2.93Å; P788-T791 PolarHBondContact O-N 3.05Å
789	L	98.1	Very high	98	Very high	59 Å²	59	45.9 Å²	45.9	31%	0.309	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.2	-169.2	-175.5	57.8	0	0	0	113.1	E651 V654 R655 Q658	E651-L789 HydrophobicContact CG-CD1 3.97Å; V654-L789 HydrophobicContact CB-CD1 3.99Å; V654-L789 HydrophobicContact CB-CG 4.45Å; V654-L789 HydrophobicContact CG1-CD1 3.76Å; V654-L789 HydrophobicContact CG1-CG 4.01Å; V654-L789 VanDerWaalsContact CG1-O 3.26Å; V654-L789 WeakPolarHBondContact CG1-O 3.29Å; R655-L789 PolarHBondContact NH1-O 3.41Å; Q658-L789 PolarHBondContact NE2-O 3.44Å
790	E	96.8	Very high	98.1	Very high	122 Å²	122	40.8 Å²	40.8	57%	0.57	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-13.9	177	62.3	-90.5	-148.2	0	0	115.5	Q658 A689 P788	Q658-E790 PolarHBondContact NE2-O 3.39Å; A689-E790 HydrophobicContact CB-CB 4.31Å; P788-E790 HydrophobicContact CG-CG 4.32Å; P788-E790 PolarHBondContact O-N 2.93Å
791	T	97.3	Very high	98.2	Very high	27 Å²	27	40.2 Å²	40.2	17%	0.166	20%	0.201	C	C	.	.			trans	-112.4	134.2	-170.5	-57.8	0	0	0	0	113	R655 P788	R655-T791 PolarHBondContact NH1-O 3.29Å; P788-T791 PolarHBondContact O-N 3.05Å
792	I	98.4	Very high	98.3	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.118	19%	0.185	C	C	.	.			trans	-112.9	138.1	157.9	178.6	164.8	0	0	0	109	Q658 F662 I747 P749 V794	Q658-I792 HydrophobicContact CB-CB 4Å; Q658-I792 HydrophobicContact CB-CD1 4.16Å; Q658-I792 HydrophobicContact CB-CG2 4.11Å; Q658-I792 HydrophobicContact CG-CB 4.2Å; Q658-I792 HydrophobicContact CG-CG2 4.13Å; Q658-I792 WeakPolarHBondContact O-CD1 3.17Å; F662-I792 HydrophobicContact CD2-CD1 4.07Å; F662-I792 HydrophobicContact CE2-CD1 4.15Å; F662-I792 HydrophobicContact CE2-CG2 4.15Å; I747-I792 HydrophobicContact CG2-CD1 3.87Å; I747-I792 HydrophobicContact CG2-CG1 4.49Å; P749-I792 HydrophobicContact CB-CD1 4.07Å; I792-V794 HydrophobicContact CG1-CG2 4.42Å; I792-V794 HydrophobicContact CG2-CG2 4.32Å; I792-V794 PolarHBondContact O-N 2.93Å
793	N	98.7	Very high	98.3	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	118.5	-177.6	-85.6	-74.9	0	0	0	110.9	S748 L785 S786	S748-N793 PolarHBondContact N-O 2.8Å; S748-N793 WeakPolarHBondContact O-CB 3.45Å; S748-N793 PolarHBondContact O-N 3.35Å; L785-N793 HydrophobicContact CD1-CB 3.91Å; S786-N793 PolarHBondContact O-ND2 2.83Å
794	V	98.8	Very high	98.3	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.036	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.4	-178.5	-175.2	0	0	0	0	109	F662 L745 L746 L770 I792	F662-V794 HydrophobicContact CE1-CG1 4.36Å; F662-V794 HydrophobicContact CE1-CG2 4.27Å; F662-V794 HydrophobicContact CE2-CG2 3.85Å; F662-V794 HydrophobicContact CZ-CG1 4.37Å; F662-V794 HydrophobicContact CZ-CG2 3.56Å; L745-V794 HydrophobicContact CD1-CG1 3.68Å; L745-V794 HydrophobicContact CD2-CG1 4.12Å; L745-V794 HydrophobicContact CG-CG1 3.83Å; L746-V794 WeakPolarHBondContact O-CA 3.27Å; L770-V794 HydrophobicContact CB-CB 4.41Å; L770-V794 HydrophobicContact CB-CG1 4.21Å; L770-V794 HydrophobicContact CD2-CG1 3.91Å; L770-V794 PolarHBondContact N-O 3.25Å; I792-V794 HydrophobicContact CG1-CG2 4.42Å; I792-V794 HydrophobicContact CG2-CG2 4.32Å; I792-V794 PolarHBondContact O-N 2.93Å
795	H	98.9	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.7	-174	-65.2	79.5	0	0	0	112.2	L745 L746 W767 Y768 F776	L745-H795 CarbonylContact C-O 3.52Å; L745-H795 WeakPolarHBondContact CA-O 3.38Å; L746-H795 HydrophobicContact CB-CB 4.47Å; L746-H795 PolarHBondContact N-O 2.85Å; L746-H795 PolarHBondContact O-N 2.99Å; W767-H795 HydrophobicContact CB-CB 4.13Å; W767-H795 HydrophobicContact CE3-CB 4.02Å; Y768-H795 CarbonylContact O-C 3.45Å; Y768-H795 VanDerWaalsContact O-CA 3.29Å; Y768-H795 WeakPolarHBondContact O-CA 3.33Å; F776-H795 AromaticContact CD2-CD2 3.85Å; F776-H795 AromaticContact CD2-NE2 3.68Å; F776-H795 AromaticContact CE2-NE2 3.56Å
796	V	98.8	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.2	170.6	-167.7	0	0	0	0	109.1	S744 L745 Y768 L770 I802 T822 A824 F885	S744-V796 CarbonylContact O-C 3.15Å; S744-V796 WeakPolarHBondContact O-CA 3.38Å; L745-V796 HydrophobicContact CD1-CG2 3.91Å; Y768-V796 PolarHBondContact N-O 2.67Å; Y768-V796 PolarHBondContact O-N 3.16Å; L770-V796 HydrophobicContact CB-CG2 4.09Å; L770-V796 HydrophobicContact CD1-CG2 3.56Å; L770-V796 HydrophobicContact CG-CG2 4.37Å; V796-I802 HydrophobicContact CG1-CD1 4.33Å; V796-I802 HydrophobicContact CG1-CG1 3.9Å; V796-T822 HydrophobicContact CG2-CG2 4.3Å; V796-A824 HydrophobicContact CB-CB 4.18Å; V796-A824 HydrophobicContact CG1-CB 3.64Å; V796-F885 HydrophobicContact CG2-CE2 4.5Å
797	R	98.7	Very high	98.1	Very high	53 Å²	53	28 Å²	28	20%	0.2	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.6	174.3	-166.7	177.6	174.1	-166.5	2.4	110.8	E725 F726 S743 S744 W767 H800 A824	E725-R797 VanDerWaalsContact CD-NH1 3.31Å; E725-R797 VanDerWaalsContact CG-NH1 3.29Å; E725-R797 IonicContact OE1-CZ 2.75Å; E725-R797 IonicContact OE1-NH1 2.72Å; E725-R797 PolarHBondContact OE1-NH1 3.37Å; E725-R797 IonicContact OE1-NH2 3.74Å; F726-R797 VanDerWaalsContact CE1-NH2 3.32Å; F726-R797 VanDerWaalsContact CZ-CZ 3.46Å; S743-R797 VanDerWaalsContact O-CD 3.32Å; S743-R797 WeakPolarHBondContact O-CD 3.14Å; S743-R797 PolarHBondContact O-NH1 2.92Å; S743-R797 VanDerWaalsContact O-NH1 3.07Å; S744-R797 PolarHBondContact O-N 3.03Å; W767-R797 HydrophobicContact CE3-CB 3.88Å; W767-R797 HydrophobicContact CE3-CG 4.35Å; W767-R797 HydrophobicContact CH2-CB 3.85Å; W767-R797 HydrophobicContact CH2-CG 3.85Å; W767-R797 HydrophobicContact CZ2-CB 4.46Å; W767-R797 HydrophobicContact CZ2-CG 4.04Å; W767-R797 HydrophobicContact CZ3-CB 3.52Å; W767-R797 HydrophobicContact CZ3-CG 4.01Å; R797-H800 PolarHBondContact O-ND1 3.17Å; R797-A824 WeakPolarHBondContact O-CB 3.16Å
798	E	98.5	Very high	98.2	Very high	35 Å²	35	29 Å²	29	16%	0.164	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	152.5	171.5	86.3	177	96.2	0	0	112.4	T766 Y768 H800 S826 S827	T766-E798 WeakPolarHBondContact CB-OE1 3.07Å; T766-E798 PolarHBondContact N-OE1 2.76Å; T766-E798 WeakPolarHBondContact O-CB 3.43Å; T766-E798 PolarHBondContact O-N 2.85Å; T766-E798 PolarHBondContact OG1-OE1 3.12Å; Y768-E798 HydrophobicContact CE2-CB 4.03Å; E798-H800 PolarHBondContact O-ND1 3.13Å; E798-S826 WeakPolarHBondContact OE2-CA 3.38Å; E798-S826 VanDerWaalsContact OE2-CB 3.31Å; E798-S826 WeakPolarHBondContact OE2-CB 3.44Å; E798-S827 PolarHBondContact OE2-N 2.98Å; E798-S827 PolarHBondContact OE2-OG 3.17Å
799	G	98.4	Very high	98.2	Very high	2 Å²	2	30 Å²	30	2%	0.021	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	5.5	-179.5	0	0	0	0	0	115.2	A824 W830 A831 R832	G799-A824 PolarHBondContact N-O 3.35Å; G799-W830 WeakPolarHBondContact O-CZ3 3.35Å; G799-A831 CarbonylContact O-C 3.6Å; G799-A831 VanDerWaalsContact O-CA 3.26Å; G799-A831 WeakPolarHBondContact O-CA 3.45Å; G799-R832 PolarHBondContact O-N 3.37Å
800	H	98.8	Very high	98.2	Very high	34 Å²	34	27.5 Å²	27.5	16%	0.157	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.6	-173.5	-65.5	85.2	0	0	0	114.3	S743 S744 R797 E798 A824 R832	S743-H800 PolarHBondContact OG-NE2 2.95Å; S743-H800 VanDerWaalsContact OG-NE2 3.09Å; S744-H800 WeakPolarHBondContact CB-CD2 3.43Å; S744-H800 VanDerWaalsContact CB-CG 3.46Å; R797-H800 PolarHBondContact O-ND1 3.17Å; E798-H800 PolarHBondContact O-ND1 3.13Å; H800-A824 PolarHBondContact N-O 3.27Å; H800-A824 PolarHBondContact O-N 3.1Å; H800-R832 CarbonylContact C-O 3.59Å; H800-R832 VanDerWaalsContact CA-O 3.29Å; H800-R832 WeakPolarHBondContact CA-O 3.47Å
801	I	98.9	Very high	98.3	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.4	173.3	-59.8	176.2	0	0	0	108.5	L821 T822 V823 A831 R832 F856 A858	I801-L821 HydrophobicContact CG2-CB 4.33Å; I801-L821 HydrophobicContact CG2-CD1 4.37Å; I801-L821 HydrophobicContact CG2-CD2 4.13Å; I801-L821 HydrophobicContact CG2-CG 4.5Å; I801-T822 CarbonylContact C-O 3.58Å; I801-T822 WeakPolarHBondContact CA-O 3.26Å; I801-V823 HydrophobicContact CB-CG2 4.49Å; I801-V823 HydrophobicContact CD1-CG1 4.35Å; I801-V823 HydrophobicContact CD1-CG2 4.26Å; I801-V823 HydrophobicContact CG1-CB 4.33Å; I801-V823 HydrophobicContact CG1-CG1 4.03Å; I801-V823 HydrophobicContact CG1-CG2 3.95Å; I801-V823 HydrophobicContact CG2-CG2 4.03Å; I801-A831 HydrophobicContact CD1-CB 4.23Å; I801-A831 HydrophobicContact CG1-CB 3.76Å; I801-R832 PolarHBondContact N-O 2.58Å; I801-F856 HydrophobicContact CB-CB 4.35Å; I801-F856 HydrophobicContact CD1-CB 3.67Å; I801-F856 HydrophobicContact CG2-CB 3.96Å; I801-F856 HydrophobicContact CG2-CD2 4.21Å; I801-F856 HydrophobicContact CG2-CG 4.26Å; I801-A858 HydrophobicContact CD1-CB 4.15Å
802	I	98.6	Very high	98.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.7	-179.8	-49.4	-57.8	0	0	0	108.8	L700 F703 S744 V796 Q804 T822	L700-I802 HydrophobicContact CD2-CG2 3.76Å; F703-I802 HydrophobicContact CB-CG2 3.87Å; F703-I802 HydrophobicContact CD1-CG2 4.11Å; F703-I802 HydrophobicContact CD2-CD1 4.3Å; F703-I802 HydrophobicContact CD2-CG2 4.35Å; F703-I802 HydrophobicContact CE1-CD1 4.44Å; F703-I802 HydrophobicContact CE2-CD1 4.07Å; F703-I802 HydrophobicContact CG-CG2 3.85Å; F703-I802 HydrophobicContact CZ-CD1 4.15Å; S744-I802 WeakPolarHBondContact OG-CD1 3.28Å; V796-I802 HydrophobicContact CG1-CD1 4.33Å; V796-I802 HydrophobicContact CG1-CG1 3.9Å; I802-Q804 HydrophobicContact CG2-CG 4.27Å; I802-T822 PolarHBondContact N-O 2.77Å; I802-T822 PolarHBondContact O-N 2.82Å
803	P	98.4	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.2	169.9	32	-34.6	0	0	0	110.4	P702 F703 L821 E834 L835 F856	P702-P803 HydrophobicContact CB-CB 4.41Å; F703-P803 HydrophobicContact CB-CG 4.2Å; P803-L821 HydrophobicContact CB-CD2 4.17Å; P803-E834 WeakPolarHBondContact CG-O 3.46Å; P803-L835 HydrophobicContact CB-CB 4.4Å; P803-L835 HydrophobicContact CB-CD1 4.2Å; P803-L835 HydrophobicContact CG-CB 4.4Å; P803-L835 HydrophobicContact CG-CD1 4.22Å; P803-F856 HydrophobicContact CB-CE2 4.46Å
804	Q	98.3	Very high	98.3	Very high	25 Å²	25	23.3 Å²	23.3	12%	0.117	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	161.4	174.8	-69.6	175.5	-97.8	0	0	110.6	S699 L700 I802 F819 F820 T822	S699-Q804 CarbonylContact O-C 3.56Å; S699-Q804 WeakPolarHBondContact O-CA 3.37Å; S699-Q804 VanDerWaalsContact O-CB 3.28Å; S699-Q804 WeakPolarHBondContact O-CB 3.17Å; S699-Q804 PolarHBondContact OG-NE2 3.41Å; L700-Q804 HydrophobicContact CD2-CG 3.94Å; I802-Q804 HydrophobicContact CG2-CG 4.27Å; Q804-F819 CarbonylContact O-C 3.57Å; Q804-F819 VanDerWaalsContact O-CA 3.23Å; Q804-F819 WeakPolarHBondContact O-CA 3.23Å; Q804-F819 WeakPolarHBondContact O-CD1 3.44Å; Q804-F820 PolarHBondContact N-O 2.86Å; Q804-F820 PolarHBondContact O-N 3.32Å; Q804-F820 VanDerWaalsContact O-O 3.09Å; Q804-T822 PolarHBondContact OE1-OG1 3.28Å
805	Q	96.9	Very high	98.3	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.019	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.3	173	-160.7	167.4	28.3	0	0	109.1	S699 P702 S814 R815 N817 F819	S699-Q805 VanDerWaalsContact CA-O 3.23Å; S699-Q805 WeakPolarHBondContact CA-O 3.27Å; S699-Q805 WeakPolarHBondContact CB-O 3.2Å; S699-Q805 PolarHBondContact O-N 2.91Å; P702-Q805 HydrophobicContact CG-CB 3.78Å; Q805-S814 WeakPolarHBondContact CG-O 3.27Å; Q805-S814 PolarHBondContact NE2-O 2.96Å; Q805-S814 VanDerWaalsContact NE2-O 3.16Å; Q805-S814 PolarHBondContact OE1-O 3.09Å; Q805-S814 VanDerWaalsContact OE1-O 3.13Å; Q805-R815 VanDerWaalsContact NE2-C 3.33Å; Q805-R815 PolarHBondContact NE2-O 3.06Å; Q805-N817 HydrophobicContact CG-CB 4.16Å; Q805-N817 PolarHBondContact NE2-O 2.98Å; Q805-F819 HydrophobicContact CB-CD1 4.42Å
806	E	95.8	Very high	98.2	Very high	108 Å²	108	32.2 Å²	32.2	51%	0.505	17%	0.171	S	C	.	.			trans	-65	125.6	174	-176.8	174.2	-170.9	0	0	109.7	N817 H818	E806-N817 HydrophobicContact CB-CB 3.99Å; E806-N817 PolarHBondContact O-ND2 2.77Å; E806-H818 PolarHBondContact N-O 2.8Å; E806-H818 VanDerWaalsContact N-O 3.12Å
807	P	97.8	Very high	98.2	Very high	44 Å²	44	34.5 Å²	34.5	29%	0.286	18%	0.183	S	C	.	.			trans	-71.2	156.7	-174	29.4	-35.7	0	0	0	112.1	N695	N695-P807 HydrophobicContact CB-CB 4.47Å; N695-P807 HydrophobicContact CB-CG 4.16Å
808	A	98.4	Very high	98.1	Very high	20 Å²	20	35.8 Å²	35.8	17%	0.165	19%	0.192	C	C	.	.			trans	-141.9	178.2	174.2	0	0	0	0	0	110.1	Y698 T810 A813	Y698-A808 WeakPolarHBondContact CD1-O 3.42Å; A808-T810 VanDerWaalsContact C-N 3.25Å; A808-T810 PolarHBondContact O-N 3.2Å; A808-A813 HydrophobicContact CB-CB 3.72Å
809	L	98.4	Very high	98.1	Very high	58 Å²	58	34.1 Å²	34.1	30%	0.304	18%	0.184	S	C	.	.	S	Bend	trans	-69.1	-20.7	-178.6	-61.4	-178.5	0	0	0	114	H387 P392 M393	H387-L809 HydrophobicContact CB-CD1 4.2Å; P392-L809 CarbonylContact C-O 3.58Å; P392-L809 WeakPolarHBondContact CA-O 3.11Å; M393-L809 PolarHBondContact N-O 3.02Å
810	T	98.8	Very high	98	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.043	20%	0.197	C	C	.	.	S	Bend	trans	-140.3	156.7	174.6	62	0	0	0	0	109.8	D394 M431 A808 A812 A813 S814	D394-T810 WeakPolarHBondContact OD2-CA 3.2Å; M431-T810 HydrophobicContact CG-CG2 3.97Å; A808-T810 VanDerWaalsContact C-N 3.25Å; A808-T810 PolarHBondContact O-N 3.2Å; T810-A812 PolarHBondContact O-N 2.67Å; T810-A813 PolarHBondContact O-N 3.47Å; T810-A813 PolarHBondContact OG1-N 3.48Å; T810-S814 PolarHBondContact O-N 3.19Å
811	T	98.8	Very high	98	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-29.7	172.1	61.7	0	0	0	0	112.4	Y361 W362 D394 Y698 L701 A813 S814 R815	Y361-T811 HydrophobicContact CD1-CG2 3.81Å; Y361-T811 HydrophobicContact CE1-CG2 3.88Å; W362-T811 WeakPolarHBondContact CA-OG1 3.46Å; D394-T811 VanDerWaalsContact CG-N 3.27Å; D394-T811 VanDerWaalsContact OD1-CB 3.29Å; D394-T811 WeakPolarHBondContact OD1-CB 3.1Å; D394-T811 WeakPolarHBondContact OD1-CG2 3.46Å; D394-T811 PolarHBondContact OD1-N 2.67Å; D394-T811 PolarHBondContact OD1-OG1 2.92Å; D394-T811 PolarHBondContact OD2-N 3.29Å; Y698-T811 HydrophobicContact CE1-CG2 4.2Å; L701-T811 HydrophobicContact CD1-CG2 3.61Å; T811-A813 VanDerWaalsContact C-N 3.27Å; T811-A813 PolarHBondContact O-N 2.86Å; T811-S814 PolarHBondContact O-N 2.96Å; T811-R815 VanDerWaalsContact O-CB 3.26Å; T811-R815 WeakPolarHBondContact O-CB 3.44Å; T811-R815 WeakPolarHBondContact O-CD 3.5Å; T811-R815 WeakPolarHBondContact O-CG 3.39Å; T811-R815 PolarHBondContact O-N 2.67Å
812	A	98.2	Very high	98	Very high	43 Å²	43	35.8 Å²	35.8	36%	0.355	19%	0.19	S	C	.	.	H	α-helix	trans	-56.9	-42.9	174.1	0	0	0	0	0	111.4	T810	T810-A812 PolarHBondContact O-N 2.67Å
813	A	98.4	Very high	98	Very high	42 Å²	42	35.7 Å²	35.7	35%	0.347	19%	0.19	S	C	.	.	H	α-helix	trans	-78.8	-42.5	174	0	0	0	0	0	112.6	A808 T810 T811 R815 E816	A808-A813 HydrophobicContact CB-CB 3.72Å; T810-A813 PolarHBondContact O-N 3.47Å; T810-A813 PolarHBondContact OG1-N 3.48Å; T811-A813 VanDerWaalsContact C-N 3.27Å; T811-A813 PolarHBondContact O-N 2.86Å; A813-R815 VanDerWaalsContact C-N 3.27Å; A813-R815 PolarHBondContact O-N 3.13Å; A813-E816 PolarHBondContact O-N 3.45Å
814	S	98.3	Very high	98	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-33.3	-173.8	83.7	0	0	0	0	112.2	Q805 T810 T811 E816 N817	Q805-S814 WeakPolarHBondContact CG-O 3.27Å; Q805-S814 PolarHBondContact NE2-O 2.96Å; Q805-S814 VanDerWaalsContact NE2-O 3.16Å; Q805-S814 PolarHBondContact OE1-O 3.09Å; Q805-S814 VanDerWaalsContact OE1-O 3.13Å; T810-S814 PolarHBondContact O-N 3.19Å; T811-S814 PolarHBondContact O-N 2.96Å; S814-E816 PolarHBondContact O-N 2.59Å; S814-N817 WeakPolarHBondContact O-CB 3.1Å; S814-N817 PolarHBondContact O-N 3.04Å
815	R	98.2	Very high	98	Very high	39 Å²	39	34.7 Å²	34.7	15%	0.147	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.3	179.2	-74.5	170.8	62.8	65.2	3	113.9	Y361 Q805 T811 A813 W837 D838 D839	Y361-R815 HydrophobicContact CD1-CG 4Å; Y361-R815 HydrophobicContact CE1-CG 3.72Å; Q805-R815 VanDerWaalsContact NE2-C 3.33Å; Q805-R815 PolarHBondContact NE2-O 3.06Å; T811-R815 VanDerWaalsContact O-CB 3.26Å; T811-R815 WeakPolarHBondContact O-CB 3.44Å; T811-R815 WeakPolarHBondContact O-CD 3.5Å; T811-R815 WeakPolarHBondContact O-CG 3.39Å; T811-R815 PolarHBondContact O-N 2.67Å; A813-R815 VanDerWaalsContact C-N 3.27Å; A813-R815 PolarHBondContact O-N 3.13Å; R815-W837 HydrophobicContact CB-CH2 4.49Å; R815-W837 HydrophobicContact CB-CZ2 4.15Å; R815-W837 HydrophobicContact CG-CH2 4Å; R815-W837 HydrophobicContact CG-CZ2 4.04Å; R815-D838 PolarHBondContact NH2-O 2.97Å; R815-D839 PolarHBondContact NH2-O 3.18Å
816	E	97.1	Very high	98.1	Very high	153 Å²	153	34.9 Å²	34.9	72%	0.715	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-16	175.5	-59.5	-174.6	168.7	0	0	113	A813 S814	A813-E816 PolarHBondContact O-N 3.45Å; S814-E816 PolarHBondContact O-N 2.59Å
817	N	97.8	Very high	97.9	Very high	48 Å²	48	35.3 Å²	35.3	26%	0.257	20%	0.202	S	C	.	.	S	Bend	trans	-76.1	167.2	-175.4	-69.3	-21.5	0	0	0	113.3	Q805 E806 S814	Q805-N817 HydrophobicContact CG-CB 4.16Å; Q805-N817 PolarHBondContact NE2-O 2.98Å; E806-N817 HydrophobicContact CB-CB 3.99Å; E806-N817 PolarHBondContact O-ND2 2.77Å; S814-N817 WeakPolarHBondContact O-CB 3.1Å; S814-N817 PolarHBondContact O-N 3.04Å
818	H	97.2	Very high	97.8	Very high	81 Å²	81	36 Å²	36	38%	0.375	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-68.8	146.8	175.9	-61.9	158.9	0	0	0	112.8	E806 L878	E806-H818 PolarHBondContact N-O 2.8Å; E806-H818 VanDerWaalsContact N-O 3.12Å; H818-L878 WeakPolarHBondContact CA-O 3.41Å
819	F	98.3	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	154	170.3	-71.8	-88.7	0	0	0	111.6	P702 Q804 Q805 L835 W837 L874 L877 L878 L879 G880 M922	P702-F819 HydrophobicContact CB-CE1 3.98Å; P702-F819 HydrophobicContact CG-CD1 4.42Å; P702-F819 HydrophobicContact CG-CE1 3.94Å; Q804-F819 CarbonylContact O-C 3.57Å; Q804-F819 VanDerWaalsContact O-CA 3.23Å; Q804-F819 WeakPolarHBondContact O-CA 3.23Å; Q804-F819 WeakPolarHBondContact O-CD1 3.44Å; Q805-F819 HydrophobicContact CB-CD1 4.42Å; F819-L835 HydrophobicContact CD1-CD2 4.35Å; F819-L835 HydrophobicContact CE1-CD1 4.24Å; F819-L835 HydrophobicContact CE1-CD2 3.84Å; F819-L835 HydrophobicContact CZ-CD2 4.02Å; F819-W837 HydrophobicContact CE1-CE3 4.36Å; F819-W837 HydrophobicContact CE1-CH2 4.33Å; F819-W837 HydrophobicContact CE1-CZ3 4.12Å; F819-W837 HydrophobicContact CZ-CD2 4.04Å; F819-W837 HydrophobicContact CZ-CE3 4.05Å; F819-W837 AromaticContact CZ-CH2 3.95Å; F819-W837 HydrophobicContact CZ-CH2 3.95Å; F819-W837 AromaticContact CZ-CZ2 3.97Å; F819-W837 HydrophobicContact CZ-CZ2 3.97Å; F819-W837 AromaticContact CZ-CZ3 4Å; F819-W837 HydrophobicContact CZ-CZ3 4Å; F819-L874 HydrophobicContact CE2-CD2 3.97Å; F819-L874 HydrophobicContact CZ-CD2 4.19Å; F819-L877 HydrophobicContact CD2-CB 4.25Å; F819-L877 HydrophobicContact CE2-CB 3.88Å; F819-L877 HydrophobicContact CE2-CD1 3.79Å; F819-L877 HydrophobicContact CE2-CG 4.4Å; F819-L877 HydrophobicContact CZ-CD1 4.39Å; F819-L878 PolarHBondContact N-O 2.78Å; F819-L879 HydrophobicContact CB-CD1 4.21Å; F819-L879 CarbonylContact O-C 3.59Å; F819-L879 WeakPolarHBondContact O-CA 3.4Å; F819-G880 PolarHBondContact O-N 3Å; F819-M922 HydrophobicContact CB-CE 4.06Å; F819-M922 HydrophobicContact CB-CG 4.41Å; F819-M922 HydrophobicContact CB-SD 4.06Å; F819-M922 HydrophobicContact CD1-CE 4.24Å; F819-M922 HydrophobicContact CD2-CE 4Å; F819-M922 HydrophobicContact CD2-CG 3.64Å; F819-M922 HydrophobicContact CD2-SD 4.25Å; F819-M922 HydrophobicContact CE2-CE 4.48Å; F819-M922 HydrophobicContact CE2-CG 4.23Å; F819-M922 HydrophobicContact CG-CE 3.85Å; F819-M922 HydrophobicContact CG-CG 4.27Å; F819-M922 HydrophobicContact CG-SD 4.29Å
820	F	97.6	Very high	97.6	Very high	69 Å²	69	40 Å²	40	30%	0.303	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.5	164.6	-79	-104.6	0	0	0	109.1	Q804 G880 G881	Q804-F820 PolarHBondContact N-O 2.86Å; Q804-F820 PolarHBondContact O-N 3.32Å; Q804-F820 VanDerWaalsContact O-O 3.09Å; F820-G880 VanDerWaalsContact CZ-C 3.49Å; F820-G881 WeakPolarHBondContact CA-O 3.24Å; F820-G881 VanDerWaalsContact CD1-CA 3.47Å; F820-G881 WeakPolarHBondContact CD1-O 3.5Å
821	L	98.6	Very high	97.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.7	174.9	-63.8	-180	0	0	0	110.9	I801 P803 V823 F856 I863 L879 G881 L882 Q883 F926	I801-L821 HydrophobicContact CG2-CB 4.33Å; I801-L821 HydrophobicContact CG2-CD1 4.37Å; I801-L821 HydrophobicContact CG2-CD2 4.13Å; I801-L821 HydrophobicContact CG2-CG 4.5Å; P803-L821 HydrophobicContact CB-CD2 4.17Å; L821-V823 HydrophobicContact CB-CG2 4.21Å; L821-F856 HydrophobicContact CD1-CD1 3.79Å; L821-F856 HydrophobicContact CD1-CE1 4.04Å; L821-F856 HydrophobicContact CD1-CG 4.17Å; L821-F856 HydrophobicContact CD2-CD2 4.27Å; L821-F856 HydrophobicContact CD2-CE1 4.32Å; L821-F856 HydrophobicContact CD2-CE2 4.05Å; L821-F856 HydrophobicContact CD2-CZ 4.09Å; L821-I863 HydrophobicContact CD1-CG2 4.44Å; L821-L879 HydrophobicContact CD1-CD1 4.33Å; L821-L879 HydrophobicContact CG-CD1 3.75Å; L821-G881 PolarHBondContact N-O 3.23Å; L821-L882 HydrophobicContact CB-CB 4.03Å; L821-L882 CarbonylContact O-C 3.58Å; L821-L882 WeakPolarHBondContact O-CA 3.44Å; L821-L882 WeakPolarHBondContact O-CB 3.19Å; L821-Q883 PolarHBondContact O-N 2.98Å; L821-F926 HydrophobicContact CD1-CZ 4.35Å
822	T	98.6	Very high	97.6	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.3	165.8	-70	0	0	0	0	108.7	L770 V796 I801 I802 Q804 F885	L770-T822 HydrophobicContact CD1-CG2 4.07Å; V796-T822 HydrophobicContact CG2-CG2 4.3Å; I801-T822 CarbonylContact C-O 3.58Å; I801-T822 WeakPolarHBondContact CA-O 3.26Å; I802-T822 PolarHBondContact N-O 2.77Å; I802-T822 PolarHBondContact O-N 2.82Å; Q804-T822 PolarHBondContact OE1-OG1 3.28Å; T822-F885 HydrophobicContact CG2-CD2 4.22Å; T822-F885 HydrophobicContact CG2-CE1 4.49Å; T822-F885 HydrophobicContact CG2-CE2 3.45Å; T822-F885 VanDerWaalsContact CG2-CE2 3.45Å; T822-F885 HydrophobicContact CG2-CZ 3.63Å
823	V	98.8	Very high	97.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	101.4	-173	178.7	0	0	0	0	109.6	I801 L821 L825 A831 A858 I863 Q883 V884 F885	I801-V823 HydrophobicContact CB-CG2 4.49Å; I801-V823 HydrophobicContact CD1-CG1 4.35Å; I801-V823 HydrophobicContact CD1-CG2 4.26Å; I801-V823 HydrophobicContact CG1-CB 4.33Å; I801-V823 HydrophobicContact CG1-CG1 4.03Å; I801-V823 HydrophobicContact CG1-CG2 3.95Å; I801-V823 HydrophobicContact CG2-CG2 4.03Å; L821-V823 HydrophobicContact CB-CG2 4.21Å; V823-L825 HydrophobicContact CG1-CD2 3.86Å; V823-L825 HydrophobicContact CG1-CG 4.48Å; V823-L825 PolarHBondContact O-N 2.95Å; V823-A831 HydrophobicContact CG1-CB 4.02Å; V823-A858 HydrophobicContact CG1-CB 3.8Å; V823-I863 HydrophobicContact CB-CD1 4.19Å; V823-I863 HydrophobicContact CG1-CD1 4.16Å; V823-I863 HydrophobicContact CG1-CG1 4.25Å; V823-I863 HydrophobicContact CG2-CD1 3.61Å; V823-I863 HydrophobicContact CG2-CG1 4.18Å; V823-Q883 WeakPolarHBondContact CB-O 3.34Å; V823-Q883 PolarHBondContact N-O 3.15Å; V823-V884 HydrophobicContact CB-CG1 4.28Å; V823-V884 HydrophobicContact CB-CG2 4.41Å; V823-V884 HydrophobicContact CG1-CG1 4.06Å; V823-V884 CarbonylContact O-C 3.51Å; V823-V884 WeakPolarHBondContact O-CA 3.38Å; V823-F885 PolarHBondContact O-N 3.2Å
824	A	98.6	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	95.6	175	0	0	0	0	0	109.5	Y768 V796 R797 G799 H800 F885	Y768-A824 HydrophobicContact CD2-CB 3.74Å; Y768-A824 HydrophobicContact CE2-CB 4.17Å; V796-A824 HydrophobicContact CB-CB 4.18Å; V796-A824 HydrophobicContact CG1-CB 3.64Å; R797-A824 WeakPolarHBondContact O-CB 3.16Å; G799-A824 PolarHBondContact N-O 3.35Å; H800-A824 PolarHBondContact N-O 3.27Å; H800-A824 PolarHBondContact O-N 3.1Å; A824-F885 HydrophobicContact CB-CD2 4.39Å
825	L	98.6	Very high	97.7	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	24%	0.244	C	C	.	.			trans	-64.2	143.5	178.2	-61.4	178.6	0	0	0	111	Y768 V823 A831 A858 V884 F885 V887 W930	Y768-L825 WeakPolarHBondContact CE2-O 3.49Å; Y768-L825 PolarHBondContact OH-O 2.8Å; Y768-L825 VanDerWaalsContact OH-O 3.14Å; V823-L825 HydrophobicContact CG1-CD2 3.86Å; V823-L825 HydrophobicContact CG1-CG 4.48Å; V823-L825 PolarHBondContact O-N 2.95Å; L825-A831 HydrophobicContact CD2-CB 4.42Å; L825-A858 HydrophobicContact CD2-CB 3.85Å; L825-V884 HydrophobicContact CD1-CG1 3.59Å; L825-V884 HydrophobicContact CD2-CG1 4.03Å; L825-V884 HydrophobicContact CG-CG1 3.61Å; L825-F885 VanDerWaalsContact CB-O 3.31Å; L825-F885 WeakPolarHBondContact CB-O 3.17Å; L825-F885 WeakPolarHBondContact CG-O 3.36Å; L825-F885 PolarHBondContact N-O 2.89Å; L825-V887 HydrophobicContact CD1-CG2 4.14Å; L825-W930 HydrophobicContact CD1-CZ2 3.95Å; L825-W930 HydrophobicContact CD2-CH2 4.48Å; L825-W930 HydrophobicContact CD2-CZ2 4.37Å
826	S	97.6	Very high	97.7	Very high	8 Å²	8	44.6 Å²	44.6	6%	0.056	24%	0.237	C	C	.	.			trans	-70.2	166.1	163.4	70.5	0	0	0	0	112	E798 G828 G829 W830	E798-S826 WeakPolarHBondContact OE2-CA 3.38Å; E798-S826 VanDerWaalsContact OE2-CB 3.31Å; E798-S826 WeakPolarHBondContact OE2-CB 3.44Å; S826-G828 PolarHBondContact O-N 2.73Å; S826-G828 VanDerWaalsContact O-N 3.11Å; S826-G828 PolarHBondContact OG-N 2.81Å; S826-G828 VanDerWaalsContact OG-N 3.16Å; S826-G829 WeakPolarHBondContact O-CA 3.37Å; S826-G829 PolarHBondContact O-N 3.33Å; S826-G829 PolarHBondContact OG-N 2.9Å; S826-W830 WeakPolarHBondContact CB-O 3.36Å; S826-W830 PolarHBondContact N-O 2.98Å; S826-W830 VanDerWaalsContact OG-CG 3.25Å; S826-W830 PolarHBondContact OG-N 3.23Å; S826-W830 PolarHBondContact OG-NE1 3.3Å; S826-W830 PolarHBondContact OG-O 3.41Å
827	S	92.2	Very high	97.8	Very high	117 Å²	117	37.5 Å²	37.5	82%	0.818	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-25.5	163.7	51.3	0	0	0	0	113.8	E798 G829	E798-S827 PolarHBondContact OE2-N 2.98Å; E798-S827 PolarHBondContact OE2-OG 3.17Å; S827-G829 VanDerWaalsContact C-N 3.34Å
828	G	94.6	Very high	97.8	Very high	58 Å²	58	35.2 Å²	35.2	60%	0.598	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	4.9	172.4	0	0	0	0	0	114.9	S826 W830	S826-G828 PolarHBondContact O-N 2.73Å; S826-G828 VanDerWaalsContact O-N 3.11Å; S826-G828 PolarHBondContact OG-N 2.81Å; S826-G828 VanDerWaalsContact OG-N 3.16Å; G828-W830 VanDerWaalsContact C-N 3.34Å; G828-W830 PolarHBondContact O-N 2.85Å
829	G	96.2	Very high	97.8	Very high	28 Å²	28	34.7 Å²	34.7	29%	0.289	19%	0.192	S	C	.	.	S	Bend	trans	70.5	23.2	-179.9	0	0	0	0	0	114.6	S826 S827 G859	S826-G829 WeakPolarHBondContact O-CA 3.37Å; S826-G829 PolarHBondContact O-N 3.33Å; S826-G829 PolarHBondContact OG-N 2.9Å; S827-G829 VanDerWaalsContact C-N 3.34Å; G829-G859 WeakPolarHBondContact O-CA 3.42Å
830	W	98.1	Very high	97.8	Very high	135 Å²	135	34.8 Å²	34.8	51%	0.511	19%	0.193	S	C	.	.			trans	-118.6	153.2	179.9	68.8	-98	0	0	0	112.4	G799 S826 G828 A858	G799-W830 WeakPolarHBondContact O-CZ3 3.35Å; S826-W830 WeakPolarHBondContact CB-O 3.36Å; S826-W830 PolarHBondContact N-O 2.98Å; S826-W830 VanDerWaalsContact OG-CG 3.25Å; S826-W830 PolarHBondContact OG-N 3.23Å; S826-W830 PolarHBondContact OG-NE1 3.3Å; S826-W830 PolarHBondContact OG-O 3.41Å; G828-W830 VanDerWaalsContact C-N 3.34Å; G828-W830 PolarHBondContact O-N 2.85Å; W830-A858 VanDerWaalsContact CA-O 3.23Å; W830-A858 WeakPolarHBondContact CA-O 3.42Å
831	A	98.6	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158.5	168.6	0	0	0	0	0	111.1	G799 I801 V823 L825 A858	G799-A831 CarbonylContact O-C 3.6Å; G799-A831 VanDerWaalsContact O-CA 3.26Å; G799-A831 WeakPolarHBondContact O-CA 3.45Å; I801-A831 HydrophobicContact CD1-CB 4.23Å; I801-A831 HydrophobicContact CG1-CB 3.76Å; V823-A831 HydrophobicContact CG1-CB 4.02Å; L825-A831 HydrophobicContact CD2-CB 4.42Å; A831-A858 HydrophobicContact CB-CB 3.97Å; A831-A858 PolarHBondContact N-O 3.45Å; A831-A858 PolarHBondContact O-N 3.29Å
832	R	98.7	Very high	97.7	Very high	169 Å²	169	34.9 Å²	34.9	64%	0.638	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.3	174.9	-69.2	-175.9	179.6	167.9	0.9	112	G799 H800 I801 F856	G799-R832 PolarHBondContact O-N 3.37Å; H800-R832 CarbonylContact C-O 3.59Å; H800-R832 VanDerWaalsContact CA-O 3.29Å; H800-R832 WeakPolarHBondContact CA-O 3.47Å; I801-R832 PolarHBondContact N-O 2.58Å; R832-F856 WeakPolarHBondContact CA-O 3.43Å
833	G	98.6	Very high	97.6	Very high	16 Å²	16	37.5 Å²	37.5	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-176.8	171.2	0	0	0	0	0	110.8	F856	G833-F856 PolarHBondContact N-O 3.38Å; G833-F856 PolarHBondContact O-N 3.33Å
834	E	98.4	Very high	97.4	Very high	44 Å²	44	45.3 Å²	45.3	21%	0.206	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	157.7	-169.5	53.7	-175.1	-150.6	0	0	110.7	T706 R710 P803 Y853 V854	T706-E834 HydrophobicContact CG2-CG 3.98Å; R710-E834 IonicContact CZ-OE1 3.85Å; R710-E834 IonicContact CZ-OE2 2.65Å; R710-E834 IonicContact NE-OE1 2.74Å; R710-E834 PolarHBondContact NE-OE1 3.27Å; R710-E834 IonicContact NE-OE2 3.62Å; R710-E834 VanDerWaalsContact NH2-CD 3.34Å; R710-E834 IonicContact NH2-OE1 3.86Å; R710-E834 PolarHBondContact NH2-OE1 3.29Å; R710-E834 IonicContact NH2-OE2 3.24Å; R710-E834 PolarHBondContact NH2-OE2 3.16Å; P803-E834 WeakPolarHBondContact CG-O 3.46Å; E834-Y853 HydrophobicContact CB-CE1 4.32Å; E834-Y853 PolarHBondContact OE2-OH 2.84Å; E834-Y853 VanDerWaalsContact OE2-OH 3.07Å; E834-V854 CarbonylContact C-O 3.58Å; E834-V854 VanDerWaalsContact CA-O 3.28Å; E834-V854 WeakPolarHBondContact CA-O 3.28Å
835	L	98.8	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.9	175.4	172.9	65.8	0	0	0	109.2	P702 P803 F819 W837 Y853 V854 F856 M922	P702-L835 HydrophobicContact CB-CD1 3.8Å; P803-L835 HydrophobicContact CB-CB 4.4Å; P803-L835 HydrophobicContact CB-CD1 4.2Å; P803-L835 HydrophobicContact CG-CB 4.4Å; P803-L835 HydrophobicContact CG-CD1 4.22Å; F819-L835 HydrophobicContact CD1-CD2 4.35Å; F819-L835 HydrophobicContact CE1-CD1 4.24Å; F819-L835 HydrophobicContact CE1-CD2 3.84Å; F819-L835 HydrophobicContact CZ-CD2 4.02Å; L835-W837 HydrophobicContact CD1-CE3 4.01Å; L835-W837 HydrophobicContact CG-CB 4.39Å; L835-Y853 WeakPolarHBondContact O-CA 3.24Å; L835-V854 PolarHBondContact N-O 2.88Å; L835-V854 PolarHBondContact O-N 2.97Å; L835-F856 HydrophobicContact CB-CE2 3.78Å; L835-F856 HydrophobicContact CB-CZ 4.11Å; L835-M922 HydrophobicContact CD2-CE 3.63Å
836	F	98.8	Very high	97.2	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.6	162	173.3	-95.3	0	0	0	109.3	M358 Y705 T706 H709 D838 Y851 Y853	M358-F836 HydrophobicContact CE-CD1 4.17Å; M358-F836 HydrophobicContact CE-CE1 3.91Å; Y705-F836 AromaticContact CD1-CD1 3.87Å; Y705-F836 HydrophobicContact CD1-CD1 3.87Å; Y705-F836 HydrophobicContact CD1-CE1 4.31Å; Y705-F836 AromaticContact CE1-CD1 3.61Å; Y705-F836 HydrophobicContact CE1-CD1 3.61Å; Y705-F836 AromaticContact CE1-CE1 3.59Å; Y705-F836 HydrophobicContact CE1-CE1 3.59Å; T706-F836 HydrophobicContact CG2-CB 4.12Å; T706-F836 PolarHBondContact OG1-N 2.91Å; H709-F836 HydrophobicContact CB-CB 3.93Å; H709-F836 HydrophobicContact CB-CD1 3.7Å; H709-F836 HydrophobicContact CB-CD2 4.22Å; H709-F836 HydrophobicContact CB-CE1 4.26Å; H709-F836 HydrophobicContact CB-CG 3.67Å; H709-F836 AromaticContact CD2-CD2 3.7Å; H709-F836 AromaticContact CD2-CG 3.81Å; H709-F836 AromaticContact CE1-CD2 3.39Å; H709-F836 WeakPolarHBondContact CE1-CD2 3.16Å; H709-F836 AromaticContact CE1-CE2 3.46Å; H709-F836 VanDerWaalsContact CE1-CE2 3.46Å; H709-F836 WeakPolarHBondContact CE1-CE2 3.4Å; H709-F836 AromaticContact CG-CD1 3.88Å; H709-F836 AromaticContact CG-CD2 3.48Å; H709-F836 VanDerWaalsContact CG-CD2 3.48Å; H709-F836 AromaticContact CG-CE2 3.96Å; H709-F836 AromaticContact CG-CG 3.43Å; H709-F836 VanDerWaalsContact CG-CG 3.43Å; H709-F836 AromaticContact ND1-CD2 3.3Å; H709-F836 VanDerWaalsContact ND1-CD2 3.3Å; H709-F836 WeakPolarHBondContact ND1-CD2 3.43Å; H709-F836 AromaticContact ND1-CE2 3.31Å; H709-F836 VanDerWaalsContact ND1-CE2 3.31Å; H709-F836 WeakPolarHBondContact ND1-CE2 3.24Å; H709-F836 AromaticContact ND1-CG 3.69Å; H709-F836 AromaticContact ND1-CZ 3.72Å; H709-F836 AromaticContact NE2-CD2 3.64Å; F836-D838 HydrophobicContact CE1-CB 4.39Å; F836-D838 WeakPolarHBondContact CE1-OD2 3.38Å; F836-D838 HydrophobicContact CZ-CB 4.2Å; F836-D838 VanDerWaalsContact CZ-OD2 3.24Å; F836-D838 WeakPolarHBondContact CZ-OD2 3.41Å; F836-Y851 AromaticContact CD2-CD2 3.86Å; F836-Y851 HydrophobicContact CD2-CD2 3.86Å; F836-Y851 HydrophobicContact CD2-CE2 4.44Å; F836-Y851 HydrophobicContact CD2-CG 4.21Å; F836-Y851 HydrophobicContact CE2-CD1 4.12Å; F836-Y851 AromaticContact CE2-CD2 3.65Å; F836-Y851 HydrophobicContact CE2-CD2 3.65Å; F836-Y851 HydrophobicContact CE2-CE2 4.35Å; F836-Y851 AromaticContact CE2-CG 3.53Å; F836-Y851 HydrophobicContact CE2-CG 3.53Å; F836-Y851 HydrophobicContact CZ-CG 4.37Å; F836-Y853 HydrophobicContact CB-CD2 4.35Å; F836-Y853 HydrophobicContact CB-CE2 4.39Å; F836-Y853 HydrophobicContact CD2-CD2 4.19Å
837	W	98.7	Very high	97.1	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.019	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	118.1	-180	-161	-99.3	0	0	0	112.6	Y361 P702 R815 F819 L835 C852 L874 L877	Y361-W837 HydrophobicContact CE2-CE3 4.32Å; Y361-W837 AromaticContact CE2-CH2 3.87Å; Y361-W837 HydrophobicContact CE2-CH2 3.87Å; Y361-W837 AromaticContact CE2-CZ3 3.51Å; Y361-W837 HydrophobicContact CE2-CZ3 3.51Å; Y361-W837 AromaticContact CZ-CH2 3.89Å; Y361-W837 AromaticContact CZ-CZ3 3.88Å; P702-W837 HydrophobicContact CB-CZ3 3.9Å; P702-W837 HydrophobicContact CG-CZ3 4.03Å; R815-W837 HydrophobicContact CB-CH2 4.49Å; R815-W837 HydrophobicContact CB-CZ2 4.15Å; R815-W837 HydrophobicContact CG-CH2 4Å; R815-W837 HydrophobicContact CG-CZ2 4.04Å; F819-W837 HydrophobicContact CE1-CE3 4.36Å; F819-W837 HydrophobicContact CE1-CH2 4.33Å; F819-W837 HydrophobicContact CE1-CZ3 4.12Å; F819-W837 HydrophobicContact CZ-CD2 4.04Å; F819-W837 HydrophobicContact CZ-CE3 4.05Å; F819-W837 AromaticContact CZ-CH2 3.95Å; F819-W837 HydrophobicContact CZ-CH2 3.95Å; F819-W837 AromaticContact CZ-CZ2 3.97Å; F819-W837 HydrophobicContact CZ-CZ2 3.97Å; F819-W837 AromaticContact CZ-CZ3 4Å; F819-W837 HydrophobicContact CZ-CZ3 4Å; L835-W837 HydrophobicContact CD1-CE3 4.01Å; L835-W837 HydrophobicContact CG-CB 4.39Å; W837-C852 HydrophobicContact CB-CB 4.34Å; W837-C852 PolarHBondContact N-O 2.81Å; W837-C852 WeakPolarHBondContact O-CA 3.25Å; W837-C852 WeakPolarHBondContact O-CB 3.45Å; W837-C852 PolarHBondContact O-N 2.9Å; W837-L874 HydrophobicContact CB-CD2 4.01Å; W837-L874 HydrophobicContact CB-CG 4.3Å; W837-L874 VanDerWaalsContact CD1-CD2 3.45Å; W837-L874 HydrophobicContact CD2-CD2 4.41Å; W837-L874 HydrophobicContact CG-CD2 3.7Å; W837-L874 HydrophobicContact CG-CG 4.36Å; W837-L877 HydrophobicContact CZ2-CD1 4.25Å
838	D	98.3	Very high	97.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-125.5	-164.3	171	59.8	13.2	0	0	0	110.1	R589 Y705 R815 F836 G840 T845	R589-D838 IonicContact CZ-OD2 2.75Å; R589-D838 IonicContact NH2-OD1 3.87Å; R589-D838 IonicContact NH2-OD2 3Å; R589-D838 PolarHBondContact NH2-OD2 2.85Å; Y705-D838 WeakPolarHBondContact CE1-OD1 3.45Å; Y705-D838 PolarHBondContact OH-OD1 3.41Å; Y705-D838 PolarHBondContact OH-OD2 2.57Å; R815-D838 PolarHBondContact NH2-O 2.97Å; F836-D838 HydrophobicContact CE1-CB 4.39Å; F836-D838 WeakPolarHBondContact CE1-OD2 3.38Å; F836-D838 HydrophobicContact CZ-CB 4.2Å; F836-D838 VanDerWaalsContact CZ-OD2 3.24Å; F836-D838 WeakPolarHBondContact CZ-OD2 3.41Å; D838-G840 PolarHBondContact O-N 2.81Å; D838-G840 WeakPolarHBondContact OD1-CA 3.49Å; D838-G840 PolarHBondContact OD1-N 2.92Å; D838-T845 HydrophobicContact CB-CG2 4.11Å; D838-T845 WeakPolarHBondContact OD2-CB 3.26Å; D838-T845 PolarHBondContact OD2-OG1 3.48Å
839	D	97.3	Very high	97.4	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	27%	0.266	S	S	.	.			trans	-66.2	-15.5	178.3	64.9	19.8	0	0	0	114.2	R815 D841 S842	R815-D839 PolarHBondContact NH2-O 3.18Å; D839-D841 PolarHBondContact OD1-N 2.91Å; D839-S842 WeakPolarHBondContact OD1-CB 3.45Å; D839-S842 PolarHBondContact OD1-N 3.49Å; D839-S842 WeakPolarHBondContact OD2-CB 3.43Å; D839-S842 PolarHBondContact OD2-OG 3.13Å
840	G	97.6	Very high	97.5	Very high	3 Å²	3	57.3 Å²	57.3	3%	0.031	27%	0.269	C	S	.	.	S	Bend	trans	91.6	-0.4	176.4	0	0	0	0	0	115.4	P360 Y361 Y705 D838	P360-G840 CarbonylContact C-O 3.51Å; P360-G840 VanDerWaalsContact CA-O 3.25Å; P360-G840 WeakPolarHBondContact CA-O 3.47Å; Y361-G840 PolarHBondContact N-O 3.25Å; Y705-G840 WeakPolarHBondContact OH-CA 3.16Å; D838-G840 PolarHBondContact O-N 2.81Å; D838-G840 WeakPolarHBondContact OD1-CA 3.49Å; D838-G840 PolarHBondContact OD1-N 2.92Å
841	D	96.9	Very high	97.5	Very high	30 Å²	30	52.3 Å²	52.3	16%	0.16	25%	0.251	C	S	.	.	S	Bend	trans	-152	-24.4	-165.4	-154.9	40.7	0	0	0	114.4	W362 K588 R589 D839	W362-D841 PolarHBondContact NE1-OD1 3.49Å; K588-D841 VanDerWaalsContact CD-OD2 3.3Å; K588-D841 WeakPolarHBondContact CD-OD2 3.47Å; K588-D841 VanDerWaalsContact CE-OD2 3.26Å; K588-D841 WeakPolarHBondContact CE-OD2 3.37Å; K588-D841 IonicContact NZ-OD2 3.26Å; K588-D841 PolarHBondContact NZ-OD2 3.17Å; R589-D841 WeakPolarHBondContact CG-O 3.12Å; R589-D841 PolarHBondContact N-O 2.78Å; D839-D841 PolarHBondContact OD1-N 2.91Å
842	S	97.8	Very high	97.5	Very high	42 Å²	42	52.3 Å²	52.3	29%	0.294	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-72	147.3	-177.8	-74.8	0	0	0	0	113.6	R589 D839	R589-S842 PolarHBondContact NE-O 3.33Å; R589-S842 PolarHBondContact NH2-O 2.89Å; D839-S842 WeakPolarHBondContact OD1-CB 3.45Å; D839-S842 PolarHBondContact OD1-N 3.49Å; D839-S842 WeakPolarHBondContact OD2-CB 3.43Å; D839-S842 PolarHBondContact OD2-OG 3.13Å
843	L	97	Very high	97.5	Very high	58 Å²	58	45.7 Å²	45.7	30%	0.304	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	144.1	171.4	-67.5	171.5	0	0	0	111.5	M583 K588 R589 T845	M583-L843 HydrophobicContact CG-CD1 3.58Å; M583-L843 HydrophobicContact CG-CD2 3.9Å; M583-L843 HydrophobicContact CG-CG 4.4Å; M583-L843 HydrophobicContact SD-CD1 4.35Å; M583-L843 HydrophobicContact SD-CD2 4.37Å; K588-L843 WeakPolarHBondContact O-CD2 3.24Å; R589-L843 HydrophobicContact CG-CD2 4.35Å; L843-T845 VanDerWaalsContact C-N 3.27Å; L843-T845 PolarHBondContact O-N 3.38Å; L843-T845 VanDerWaalsContact O-N 3.16Å
844	R	94.7	Very high	97.5	Very high	164 Å²	164	44.9 Å²	44.9	62%	0.619	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	31.5	166.4	-56.5	177.7	63.5	-160.7	-3.5	115.8	F846 E847 T848	R844-F846 VanDerWaalsContact C-N 3.28Å; R844-F846 PolarHBondContact O-N 2.98Å; R844-E847 WeakPolarHBondContact CA-OE2 3.29Å; R844-E847 PolarHBondContact O-N 2.98Å; R844-T848 HydrophobicContact CB-CG2 4.41Å; R844-T848 WeakPolarHBondContact O-CB 3.47Å; R844-T848 WeakPolarHBondContact O-CG2 3.17Å; R844-T848 PolarHBondContact O-N 2.66Å; R844-T848 PolarHBondContact O-OG1 2.94Å
845	T	97.5	Very high	97.5	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.037	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-40	179.7	50.6	0	0	0	0	111.5	R589 D838 L843 T848 Q849 N850 Y851	R589-T845 PolarHBondContact NH2-OG1 2.87Å; D838-T845 HydrophobicContact CB-CG2 4.11Å; D838-T845 WeakPolarHBondContact OD2-CB 3.26Å; D838-T845 PolarHBondContact OD2-OG1 3.48Å; L843-T845 VanDerWaalsContact C-N 3.27Å; L843-T845 PolarHBondContact O-N 3.38Å; L843-T845 VanDerWaalsContact O-N 3.16Å; T845-T848 PolarHBondContact O-OG1 3.29Å; T845-Q849 CarbonylContact O-C 3.52Å; T845-Q849 PolarHBondContact O-N 3.27Å; T845-Q849 VanDerWaalsContact O-N 3.17Å; T845-N850 WeakPolarHBondContact CB-O 3.41Å; T845-N850 PolarHBondContact O-N 2.83Å; T845-Y851 WeakPolarHBondContact O-CD1 3.12Å
846	F	95.5	Very high	97.5	Very high	73 Å²	73	45.3 Å²	45.3	32%	0.32	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-54.1	176.8	176.3	-117.2	0	0	0	112.6	H709 T713 R844 T848 Q849 Y851	H709-F846 AromaticContact CE1-CD2 3.67Å; T713-F846 HydrophobicContact CG2-CD1 3.58Å; T713-F846 HydrophobicContact CG2-CD2 3.87Å; T713-F846 HydrophobicContact CG2-CE1 3.53Å; T713-F846 HydrophobicContact CG2-CE2 3.82Å; T713-F846 HydrophobicContact CG2-CG 3.75Å; T713-F846 HydrophobicContact CG2-CZ 3.64Å; R844-F846 VanDerWaalsContact C-N 3.28Å; R844-F846 PolarHBondContact O-N 2.98Å; F846-T848 PolarHBondContact O-N 3.34Å; F846-Q849 PolarHBondContact O-N 3.34Å; F846-Y851 AromaticContact CD2-CE1 3.76Å; F846-Y851 HydrophobicContact CD2-CE1 3.76Å; F846-Y851 AromaticContact CD2-CZ 3.98Å; F846-Y851 HydrophobicContact CE2-CE1 4.48Å
847	E	95.3	Very high	97.5	Very high	104 Å²	104	48.5 Å²	48.5	49%	0.486	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-23.7	-176	-55.9	94.8	135	0	0	112.9	R844	R844-E847 WeakPolarHBondContact CA-OE2 3.29Å; R844-E847 PolarHBondContact O-N 2.98Å
848	T	96.4	Very high	97.5	Very high	82 Å²	82	48.3 Å²	48.3	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	1.8	173.1	59	0	0	0	0	113.5	R844 T845 F846 N850	R844-T848 HydrophobicContact CB-CG2 4.41Å; R844-T848 WeakPolarHBondContact O-CB 3.47Å; R844-T848 WeakPolarHBondContact O-CG2 3.17Å; R844-T848 PolarHBondContact O-N 2.66Å; R844-T848 PolarHBondContact O-OG1 2.94Å; T845-T848 PolarHBondContact O-OG1 3.29Å; F846-T848 PolarHBondContact O-N 3.34Å; T848-N850 PolarHBondContact O-N 3.12Å; T848-N850 VanDerWaalsContact O-N 3.12Å; T848-N850 WeakPolarHBondContact OG1-CB 3.35Å
849	Q	96.8	Very high	97.3	Very high	136 Å²	136	49.3 Å²	49.3	64%	0.636	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	16.1	-174.2	-59.1	-176.3	-11.1	0	0	114.8	T845 F846 Y851 N869	T845-Q849 CarbonylContact O-C 3.52Å; T845-Q849 PolarHBondContact O-N 3.27Å; T845-Q849 VanDerWaalsContact O-N 3.17Å; F846-Q849 PolarHBondContact O-N 3.34Å; Q849-Y851 HydrophobicContact CB-CE1 4.46Å; Q849-Y851 PolarHBondContact O-N 3.34Å; Q849-N869 PolarHBondContact O-ND2 2.73Å
850	N	97.6	Very high	97	Very high	66 Å²	66	54.2 Å²	54.2	35%	0.353	27%	0.272	S	S	.	.			trans	-81.9	62.4	179.7	-173.8	26.2	0	0	0	111.6	T845 T848 N871	T845-N850 WeakPolarHBondContact CB-O 3.41Å; T845-N850 PolarHBondContact O-N 2.83Å; T848-N850 PolarHBondContact O-N 3.12Å; T848-N850 VanDerWaalsContact O-N 3.12Å; T848-N850 WeakPolarHBondContact OG1-CB 3.35Å; N850-N871 VanDerWaalsContact C-ND2 3.25Å; N850-N871 PolarHBondContact O-ND2 2.83Å; N850-N871 VanDerWaalsContact O-ND2 3.13Å; N850-N871 WeakPolarHBondContact OD1-CB 3.26Å; N850-N871 PolarHBondContact OD1-ND2 3.27Å
851	Y	98.2	Very high	97	Very high	31 Å²	31	55.8 Å²	55.8	12%	0.122	28%	0.282	C	S	.	.	S	Bend	trans	-147.5	168.2	175.9	60.1	-88.6	0	0	0	111.6	F836 T845 F846 Q849 Y853 N869 N871	F836-Y851 AromaticContact CD2-CD2 3.86Å; F836-Y851 HydrophobicContact CD2-CD2 3.86Å; F836-Y851 HydrophobicContact CD2-CE2 4.44Å; F836-Y851 HydrophobicContact CD2-CG 4.21Å; F836-Y851 HydrophobicContact CE2-CD1 4.12Å; F836-Y851 AromaticContact CE2-CD2 3.65Å; F836-Y851 HydrophobicContact CE2-CD2 3.65Å; F836-Y851 HydrophobicContact CE2-CE2 4.35Å; F836-Y851 AromaticContact CE2-CG 3.53Å; F836-Y851 HydrophobicContact CE2-CG 3.53Å; F836-Y851 HydrophobicContact CZ-CG 4.37Å; T845-Y851 WeakPolarHBondContact O-CD1 3.12Å; F846-Y851 AromaticContact CD2-CE1 3.76Å; F846-Y851 HydrophobicContact CD2-CE1 3.76Å; F846-Y851 AromaticContact CD2-CZ 3.98Å; F846-Y851 HydrophobicContact CE2-CE1 4.48Å; Q849-Y851 HydrophobicContact CB-CE1 4.46Å; Q849-Y851 PolarHBondContact O-N 3.34Å; Y851-Y853 HydrophobicContact CD2-CD2 4.44Å; Y851-Y853 HydrophobicContact CE2-CD2 4.06Å; Y851-Y853 HydrophobicContact CE2-CG 4.42Å; Y851-N869 HydrophobicContact CD2-CB 4.4Å; Y851-N869 HydrophobicContact CE2-CB 4.11Å; Y851-N869 PolarHBondContact O-ND2 3Å; Y851-N871 PolarHBondContact N-ND2 2.8Å; Y851-N871 PolarHBondContact O-N 3.07Å; Y851-N871 VanDerWaalsContact O-N 3.16Å
852	C	98.4	Very high	97	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	144	162	-68.7	0	0	0	0	109.9	W837 N869 L870 N871 L874	W837-C852 HydrophobicContact CB-CB 4.34Å; W837-C852 PolarHBondContact N-O 2.81Å; W837-C852 WeakPolarHBondContact O-CA 3.25Å; W837-C852 WeakPolarHBondContact O-CB 3.45Å; W837-C852 PolarHBondContact O-N 2.9Å; C852-N869 CarbonylContact C-O 3.53Å; C852-N869 VanDerWaalsContact CA-O 3.24Å; C852-N869 WeakPolarHBondContact CA-O 3.47Å; C852-L870 HydrophobicContact CB-CD2 4.25Å; C852-N871 PolarHBondContact SG-OD1 2.91Å; C852-L874 HydrophobicContact CB-CB 4.48Å; C852-L874 HydrophobicContact CB-CD1 3.5Å; C852-L874 VanDerWaalsContact CB-CD1 3.5Å; C852-L874 HydrophobicContact CB-CG 3.69Å
853	Y	98.5	Very high	97	Very high	29 Å²	29	54.5 Å²	54.5	11%	0.114	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	125.9	173.2	-157	-82.2	0	0	0	109.2	H709 R710 E834 L835 F836 Y851 N855 P867 L868 N869	H709-Y853 AromaticContact CD2-CE2 3.9Å; H709-Y853 AromaticContact NE2-CE2 3.64Å; R710-Y853 PolarHBondContact NH2-OH 3.06Å; E834-Y853 HydrophobicContact CB-CE1 4.32Å; E834-Y853 PolarHBondContact OE2-OH 2.84Å; E834-Y853 VanDerWaalsContact OE2-OH 3.07Å; L835-Y853 WeakPolarHBondContact O-CA 3.24Å; F836-Y853 HydrophobicContact CB-CD2 4.35Å; F836-Y853 HydrophobicContact CB-CE2 4.39Å; F836-Y853 HydrophobicContact CD2-CD2 4.19Å; Y851-Y853 HydrophobicContact CD2-CD2 4.44Å; Y851-Y853 HydrophobicContact CE2-CD2 4.06Å; Y851-Y853 HydrophobicContact CE2-CG 4.42Å; Y853-N855 WeakPolarHBondContact CE1-OD1 3.36Å; Y853-P867 CarbonylContact O-C 3.56Å; Y853-L868 HydrophobicContact CD1-CD1 4.19Å; Y853-L868 PolarHBondContact O-N 2.85Å; Y853-N869 PolarHBondContact N-O 2.91Å; Y853-N869 PolarHBondContact O-N 2.69Å
854	V	98.6	Very high	97.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.4	-177.5	-172.7	0	0	0	0	109.5	E834 L835 F856 P867 L874	E834-V854 CarbonylContact C-O 3.58Å; E834-V854 VanDerWaalsContact CA-O 3.28Å; E834-V854 WeakPolarHBondContact CA-O 3.28Å; L835-V854 PolarHBondContact N-O 2.88Å; L835-V854 PolarHBondContact O-N 2.97Å; V854-F856 HydrophobicContact CB-CE1 4.41Å; V854-F856 HydrophobicContact CB-CZ 4.09Å; V854-F856 HydrophobicContact CG1-CD1 4.22Å; V854-F856 HydrophobicContact CG1-CE1 3.58Å; V854-F856 HydrophobicContact CG1-CZ 3.76Å; V854-P867 HydrophobicContact CG1-CG 4.39Å; V854-P867 HydrophobicContact CG2-CB 4.23Å; V854-L874 HydrophobicContact CG2-CD1 3.65Å
855	N	98.6	Very high	97.2	Very high	51 Å²	51	46.9 Å²	46.9	27%	0.273	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	145.5	167.7	-80.9	-7	0	0	0	110.1	Y853 S865 D866 L868	Y853-N855 WeakPolarHBondContact CE1-OD1 3.36Å; N855-S865 CarbonylContact O-C 3.58Å; N855-S865 WeakPolarHBondContact O-CA 3.32Å; N855-D866 HydrophobicContact CB-CB 4.29Å; N855-D866 PolarHBondContact N-O 2.85Å; N855-D866 PolarHBondContact O-N 3.16Å; N855-L868 WeakPolarHBondContact ND2-CD1 3.36Å
856	F	98.7	Very high	97.2	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.8	170.1	-51.2	-71.4	0	0	0	109.1	I801 P803 L821 R832 G833 L835 V854 I864 M922 F926	I801-F856 HydrophobicContact CB-CB 4.35Å; I801-F856 HydrophobicContact CD1-CB 3.67Å; I801-F856 HydrophobicContact CG2-CB 3.96Å; I801-F856 HydrophobicContact CG2-CD2 4.21Å; I801-F856 HydrophobicContact CG2-CG 4.26Å; P803-F856 HydrophobicContact CB-CE2 4.46Å; L821-F856 HydrophobicContact CD1-CD1 3.79Å; L821-F856 HydrophobicContact CD1-CE1 4.04Å; L821-F856 HydrophobicContact CD1-CG 4.17Å; L821-F856 HydrophobicContact CD2-CD2 4.27Å; L821-F856 HydrophobicContact CD2-CE1 4.32Å; L821-F856 HydrophobicContact CD2-CE2 4.05Å; L821-F856 HydrophobicContact CD2-CZ 4.09Å; R832-F856 WeakPolarHBondContact CA-O 3.43Å; G833-F856 PolarHBondContact N-O 3.38Å; G833-F856 PolarHBondContact O-N 3.33Å; L835-F856 HydrophobicContact CB-CE2 3.78Å; L835-F856 HydrophobicContact CB-CZ 4.11Å; V854-F856 HydrophobicContact CB-CE1 4.41Å; V854-F856 HydrophobicContact CB-CZ 4.09Å; V854-F856 HydrophobicContact CG1-CD1 4.22Å; V854-F856 HydrophobicContact CG1-CE1 3.58Å; V854-F856 HydrophobicContact CG1-CZ 3.76Å; F856-I864 WeakPolarHBondContact CA-O 3.37Å; F856-M922 HydrophobicContact CE1-CE 4.28Å; F856-M922 HydrophobicContact CZ-CE 3.85Å; F856-F926 HydrophobicContact CD1-CZ 4.43Å; F856-F926 HydrophobicContact CE1-CZ 4.09Å
857	T	98.6	Very high	97.3	Very high	68 Å²	68	48.3 Å²	48.3	42%	0.417	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.4	172.9	-64	0	0	0	0	109.8	I863 I864	T857-I863 CarbonylContact O-C 3.6Å; T857-I863 WeakPolarHBondContact O-CA 3.39Å; T857-I864 PolarHBondContact N-O 2.79Å; T857-I864 PolarHBondContact O-N 2.96Å
858	A	98.4	Very high	97.4	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.6	166.5	0	0	0	0	0	110.6	I801 V823 L825 W830 A831 Q862 I863	I801-A858 HydrophobicContact CD1-CB 4.15Å; V823-A858 HydrophobicContact CG1-CB 3.8Å; L825-A858 HydrophobicContact CD2-CB 3.85Å; W830-A858 VanDerWaalsContact CA-O 3.23Å; W830-A858 WeakPolarHBondContact CA-O 3.42Å; A831-A858 HydrophobicContact CB-CB 3.97Å; A831-A858 PolarHBondContact N-O 3.45Å; A831-A858 PolarHBondContact O-N 3.29Å; A858-Q862 CarbonylContact C-O 3.48Å; A858-Q862 WeakPolarHBondContact CA-O 3.46Å; A858-I863 HydrophobicContact CB-CG1 3.78Å
859	G	95.4	Very high	97.4	Very high	21 Å²	21	46.3 Å²	46.3	22%	0.216	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	154.5	178.6	0	0	0	0	0	110.5	G829 S861 Q862	G829-G859 WeakPolarHBondContact O-CA 3.42Å; G859-S861 PolarHBondContact O-N 2.74Å; G859-Q862 PolarHBondContact N-O 3.19Å; G859-Q862 WeakPolarHBondContact O-CG 3.25Å; G859-Q862 PolarHBondContact O-N 3.1Å; G859-Q862 VanDerWaalsContact O-N 3.08Å; G859-Q862 VanDerWaalsContact O-O 3.11Å
860	Q	91.6	Very high	97.4	Very high	172 Å²	172	43.5 Å²	43.5	80%	0.804	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	37.4	178.6	-56.5	177.4	-10.4	0	0	113.8	Q862	Q860-Q862 VanDerWaalsContact C-N 3.27Å; Q860-Q862 PolarHBondContact O-N 3.05Å
861	S	96.6	Very high	97.2	Very high	36 Å²	36	43 Å²	43	25%	0.252	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	32.1	-176	-56.9	0	0	0	0	115.3	G859 Q929 W930	G859-S861 PolarHBondContact O-N 2.74Å; S861-Q929 WeakPolarHBondContact O-CA 3.2Å; S861-Q929 WeakPolarHBondContact O-CG 3.29Å; S861-W930 VanDerWaalsContact CA-CE2 3.44Å; S861-W930 VanDerWaalsContact CB-O 3.22Å; S861-W930 WeakPolarHBondContact CB-O 3.33Å; S861-W930 VanDerWaalsContact O-CD2 3.26Å; S861-W930 PolarHBondContact O-N 2.56Å
862	Q	97.1	Very high	96.9	Very high	45 Å²	45	43.5 Å²	43.5	21%	0.21	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.5	171.1	56	176.4	4.3	0	0	111.6	A858 G859 Q860 T927 V928 Q929	A858-Q862 CarbonylContact C-O 3.48Å; A858-Q862 WeakPolarHBondContact CA-O 3.46Å; G859-Q862 PolarHBondContact N-O 3.19Å; G859-Q862 WeakPolarHBondContact O-CG 3.25Å; G859-Q862 PolarHBondContact O-N 3.1Å; G859-Q862 VanDerWaalsContact O-N 3.08Å; G859-Q862 VanDerWaalsContact O-O 3.11Å; Q860-Q862 VanDerWaalsContact C-N 3.27Å; Q860-Q862 PolarHBondContact O-N 3.05Å; Q862-T927 HydrophobicContact CB-CG2 4.19Å; Q862-V928 CarbonylContact C-O 3.55Å; Q862-V928 VanDerWaalsContact CA-O 3.26Å; Q862-V928 WeakPolarHBondContact CA-O 3.35Å; Q862-Q929 HydrophobicContact CB-CB 3.97Å; Q862-Q929 HydrophobicContact CB-CG 4.15Å
863	I	97.9	Very high	96.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134	165.7	-65.8	148.5	0	0	0	107.5	L821 V823 T857 A858 L882 V884 T927 V928 W930	L821-I863 HydrophobicContact CD1-CG2 4.44Å; V823-I863 HydrophobicContact CB-CD1 4.19Å; V823-I863 HydrophobicContact CG1-CD1 4.16Å; V823-I863 HydrophobicContact CG1-CG1 4.25Å; V823-I863 HydrophobicContact CG2-CD1 3.61Å; V823-I863 HydrophobicContact CG2-CG1 4.18Å; T857-I863 CarbonylContact O-C 3.6Å; T857-I863 WeakPolarHBondContact O-CA 3.39Å; A858-I863 HydrophobicContact CB-CG1 3.78Å; I863-L882 HydrophobicContact CD1-CD1 3.93Å; I863-L882 HydrophobicContact CD1-CD2 3.79Å; I863-L882 HydrophobicContact CD1-CG 4.47Å; I863-V884 HydrophobicContact CD1-CG2 3.83Å; I863-T927 CarbonylContact O-C 3.56Å; I863-T927 VanDerWaalsContact O-CA 3.26Å; I863-T927 WeakPolarHBondContact O-CA 3.5Å; I863-V928 PolarHBondContact N-O 3.5Å; I863-V928 PolarHBondContact O-N 3.13Å; I863-W930 HydrophobicContact CD1-CH2 4.12Å; I863-W930 HydrophobicContact CD1-CZ3 3.69Å; I863-W930 HydrophobicContact CG1-CH2 3.96Å; I863-W930 HydrophobicContact CG1-CZ3 3.77Å
864	I	98.2	Very high	96.5	Very high	61 Å²	61	43.5 Å²	43.5	31%	0.313	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.7	174.2	-60.3	170.7	0	0	0	108.6	F856 T857 T925 F926 T927	F856-I864 WeakPolarHBondContact CA-O 3.37Å; T857-I864 PolarHBondContact N-O 2.79Å; T857-I864 PolarHBondContact O-N 2.96Å; I864-T925 HydrophobicContact CG2-CG2 4.45Å; I864-F926 WeakPolarHBondContact CA-O 3.19Å; I864-T927 HydrophobicContact CG1-CG2 4.03Å
865	S	98.3	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.3	164.9	67.2	0	0	0	0	111.6	N855 K924 T925 F926	N855-S865 CarbonylContact O-C 3.58Å; N855-S865 WeakPolarHBondContact O-CA 3.32Å; S865-K924 PolarHBondContact OG-O 2.93Å; S865-T925 WeakPolarHBondContact O-CG2 3.23Å; S865-F926 PolarHBondContact N-O 2.83Å; S865-F926 WeakPolarHBondContact OG-CD1 3.47Å; S865-F926 VanDerWaalsContact OG-CE1 3.3Å; S865-F926 WeakPolarHBondContact OG-CE1 3.29Å; S865-F926 VanDerWaalsContact OG-CG 3.3Å; S865-F926 WeakPolarHBondContact OG-CG 3.4Å; S865-F926 PolarHBondContact OG-N 3.08Å
866	D	97.5	Very high	95.8	Very high	83 Å²	83	49.2 Å²	49.2	44%	0.444	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	91.6	179.7	-172.2	27.1	0	0	0	109.4	N855 L868	N855-D866 HydrophobicContact CB-CB 4.29Å; N855-D866 PolarHBondContact N-O 2.85Å; N855-D866 PolarHBondContact O-N 3.16Å; D866-L868 PolarHBondContact O-N 2.8Å; D866-L868 WeakPolarHBondContact OD2-CD2 3.34Å
867	P	96.7	Very high	95.8	Very high	26 Å²	26	49.7 Å²	49.7	17%	0.169	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	108.6	176.4	-18	32.5	0	0	0	111.2	Y853 V854 L870	Y853-P867 CarbonylContact O-C 3.56Å; V854-P867 HydrophobicContact CG1-CG 4.39Å; V854-P867 HydrophobicContact CG2-CB 4.23Å; P867-L870 HydrophobicContact CB-CD1 3.93Å; P867-L870 HydrophobicContact CB-CD2 4.04Å; P867-L870 HydrophobicContact CB-CG 4Å
868	L	96.9	Very high	95.7	Very high	102 Å²	102	48.6 Å²	48.6	53%	0.534	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-32.7	-176.9	-61.5	-173.6	0	0	0	113.5	Y853 N855 D866	Y853-L868 HydrophobicContact CD1-CD1 4.19Å; Y853-L868 PolarHBondContact O-N 2.85Å; N855-L868 WeakPolarHBondContact ND2-CD1 3.36Å; D866-L868 PolarHBondContact O-N 2.8Å; D866-L868 WeakPolarHBondContact OD2-CD2 3.34Å
869	N	96.9	Very high	95.7	Very high	43 Å²	43	48.5 Å²	48.5	23%	0.23	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.6	172.4	-169.9	21	0	0	0	109.4	Q849 Y851 C852 Y853	Q849-N869 PolarHBondContact O-ND2 2.73Å; Y851-N869 HydrophobicContact CD2-CB 4.4Å; Y851-N869 HydrophobicContact CE2-CB 4.11Å; Y851-N869 PolarHBondContact O-ND2 3Å; C852-N869 CarbonylContact C-O 3.53Å; C852-N869 VanDerWaalsContact CA-O 3.24Å; C852-N869 WeakPolarHBondContact CA-O 3.47Å; Y853-N869 PolarHBondContact N-O 2.91Å; Y853-N869 PolarHBondContact O-N 2.69Å
870	L	95.9	Very high	95.7	Very high	77 Å²	77	47.7 Å²	47.7	40%	0.403	28%	0.283	S	S	.	.			trans	-148.6	101	-177.5	-71.4	175.6	0	0	0	111.3	C852 P867 G872 S923	C852-L870 HydrophobicContact CB-CD2 4.25Å; P867-L870 HydrophobicContact CB-CD1 3.93Å; P867-L870 HydrophobicContact CB-CD2 4.04Å; P867-L870 HydrophobicContact CB-CG 4Å; L870-G872 VanDerWaalsContact C-N 3.35Å; L870-S923 VanDerWaalsContact CD1-O 3.25Å; L870-S923 WeakPolarHBondContact CD1-O 3.46Å
871	N	93.6	Very high	96	Very high	54 Å²	54	39.5 Å²	39.5	29%	0.289	24%	0.244	S	C	.	.			trans	-84.7	-6.1	170.4	75.2	-21.7	0	0	0	114.1	N850 Y851 C852 A873	N850-N871 VanDerWaalsContact C-ND2 3.25Å; N850-N871 PolarHBondContact O-ND2 2.83Å; N850-N871 VanDerWaalsContact O-ND2 3.13Å; N850-N871 WeakPolarHBondContact OD1-CB 3.26Å; N850-N871 PolarHBondContact OD1-ND2 3.27Å; Y851-N871 PolarHBondContact N-ND2 2.8Å; Y851-N871 PolarHBondContact O-N 3.07Å; Y851-N871 VanDerWaalsContact O-N 3.16Å; C852-N871 PolarHBondContact SG-OD1 2.91Å; N871-A873 WeakPolarHBondContact OD1-CB 3.49Å; N871-A873 PolarHBondContact OD1-N 3.41Å
872	G	92.1	Very high	96	Very high	42 Å²	42	37.8 Å²	37.8	43%	0.433	23%	0.233	S	C	.	.	S	Bend	trans	102.4	-7.2	-176.1	0	0	0	0	0	115.5	L870 L874 A875	L870-G872 VanDerWaalsContact C-N 3.35Å; G872-L874 PolarHBondContact O-N 3.35Å; G872-L874 VanDerWaalsContact O-N 3.08Å; G872-A875 WeakPolarHBondContact O-CB 3.14Å; G872-A875 PolarHBondContact O-N 3.24Å
873	A	92.9	Very high	96.1	Very high	30 Å²	30	38.5 Å²	38.5	25%	0.248	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.8	178.6	0	0	0	0	0	114.4	N871	N871-A873 WeakPolarHBondContact OD1-CB 3.49Å; N871-A873 PolarHBondContact OD1-N 3.41Å
874	L	95.5	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	8.7	173.1	-66.4	178.4	0	0	0	113.3	F819 W837 C852 V854 G872 S876 L877 M922 S923	F819-L874 HydrophobicContact CE2-CD2 3.97Å; F819-L874 HydrophobicContact CZ-CD2 4.19Å; W837-L874 HydrophobicContact CB-CD2 4.01Å; W837-L874 HydrophobicContact CB-CG 4.3Å; W837-L874 VanDerWaalsContact CD1-CD2 3.45Å; W837-L874 HydrophobicContact CD2-CD2 4.41Å; W837-L874 HydrophobicContact CG-CD2 3.7Å; W837-L874 HydrophobicContact CG-CG 4.36Å; C852-L874 HydrophobicContact CB-CB 4.48Å; C852-L874 HydrophobicContact CB-CD1 3.5Å; C852-L874 VanDerWaalsContact CB-CD1 3.5Å; C852-L874 HydrophobicContact CB-CG 3.69Å; V854-L874 HydrophobicContact CG2-CD1 3.65Å; G872-L874 PolarHBondContact O-N 3.35Å; G872-L874 VanDerWaalsContact O-N 3.08Å; L874-S876 PolarHBondContact O-N 3.37Å; L874-L877 HydrophobicContact CD2-CD1 4.14Å; L874-L877 PolarHBondContact O-N 3.09Å; L874-M922 HydrophobicContact CB-CB 4.25Å; L874-M922 HydrophobicContact CD1-CB 4.25Å; L874-M922 HydrophobicContact CD2-CB 4.21Å; L874-M922 HydrophobicContact CG-CB 4.48Å; L874-S923 VanDerWaalsContact O-CB 3.29Å; L874-S923 WeakPolarHBondContact O-CB 3.26Å; L874-S923 PolarHBondContact O-OG 3.01Å; L874-S923 VanDerWaalsContact O-OG 3.06Å
875	A	91.9	Very high	96.1	Very high	69 Å²	69	35.6 Å²	35.6	57%	0.57	22%	0.221	S	C	*	.	S	Bend	trans	-64.6	-36.8	-170.8	0	0	0	0	0	113.7	G872	G872-A875 WeakPolarHBondContact O-CB 3.14Å; G872-A875 PolarHBondContact O-N 3.24Å
876	S	91.9	Very high	96.1	Very high	101 Å²	101	36.7 Å²	36.7	71%	0.706	23%	0.232	S	C	*	.	S	Bend	trans	-95.5	-10.4	178.4	50.1	0	0	0	0	114.2	L874	L874-S876 PolarHBondContact O-N 3.37Å
877	L	96.8	Very high	96.1	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.063	21%	0.211	C	C	.	.			trans	-91.1	134.7	-170.8	-60.3	178.2	0	0	0	111.7	F819 W837 L874 M922	F819-L877 HydrophobicContact CD2-CB 4.25Å; F819-L877 HydrophobicContact CE2-CB 3.88Å; F819-L877 HydrophobicContact CE2-CD1 3.79Å; F819-L877 HydrophobicContact CE2-CG 4.4Å; F819-L877 HydrophobicContact CZ-CD1 4.39Å; W837-L877 HydrophobicContact CZ2-CD1 4.25Å; L874-L877 HydrophobicContact CD2-CD1 4.14Å; L874-L877 PolarHBondContact O-N 3.09Å; L877-M922 WeakPolarHBondContact O-CB 3.3Å; L877-M922 PolarHBondContact O-N 2.8Å
878	L	97.6	Very high	96	Very high	45 Å²	45	35.7 Å²	35.7	24%	0.236	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	150.6	-174.5	-55	-179.5	0	0	0	111.3	H818 F819 A919 L920 P921	H818-L878 WeakPolarHBondContact CA-O 3.41Å; F819-L878 PolarHBondContact N-O 2.78Å; L878-A919 HydrophobicContact CD1-CB 4.32Å; L878-L920 CarbonylContact C-O 3.57Å; L878-L920 WeakPolarHBondContact CA-O 3.32Å; L878-P921 HydrophobicContact CD2-CB 4.35Å; L878-P921 HydrophobicContact CD2-CG 4.28Å
879	L	97.8	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.6	158.9	-173.3	75.6	0	0	0	108.9	F819 L821 G881 L882 L918 L920 M922 F926	F819-L879 HydrophobicContact CB-CD1 4.21Å; F819-L879 CarbonylContact O-C 3.59Å; F819-L879 WeakPolarHBondContact O-CA 3.4Å; L821-L879 HydrophobicContact CD1-CD1 4.33Å; L821-L879 HydrophobicContact CG-CD1 3.75Å; L879-G881 WeakPolarHBondContact CD1-O 3.44Å; L879-L882 HydrophobicContact CD2-CD2 4.28Å; L879-L918 HydrophobicContact CD2-CD1 4.07Å; L879-L918 CarbonylContact O-C 3.57Å; L879-L918 VanDerWaalsContact O-CB 3.29Å; L879-L918 WeakPolarHBondContact O-CB 3.5Å; L879-L920 HydrophobicContact CB-CB 4.27Å; L879-L920 HydrophobicContact CD2-CD1 4.4Å; L879-L920 PolarHBondContact N-O 2.98Å; L879-L920 PolarHBondContact O-N 2.94Å; L879-M922 HydrophobicContact CB-SD 3.88Å; L879-M922 HydrophobicContact CD1-SD 4.27Å; L879-F926 HydrophobicContact CD2-CD2 4.46Å; L879-F926 HydrophobicContact CD2-CE2 3.74Å; L879-F926 HydrophobicContact CD2-CZ 3.77Å
880	G	96.8	Very high	95.9	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-17.8	177.8	0	0	0	0	0	114.3	F819 F820 R917 L918	F819-G880 PolarHBondContact O-N 3Å; F820-G880 VanDerWaalsContact CZ-C 3.49Å; G880-R917 PolarHBondContact O-N 3.49Å; G880-L918 WeakPolarHBondContact CA-O 3.25Å; G880-L918 PolarHBondContact O-N 2.91Å
881	G	97.1	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170	-175	179	0	0	0	0	0	113.1	F820 L821 L879 V915	F820-G881 WeakPolarHBondContact CA-O 3.24Å; F820-G881 VanDerWaalsContact CD1-CA 3.47Å; F820-G881 WeakPolarHBondContact CD1-O 3.5Å; L821-G881 PolarHBondContact N-O 3.23Å; L879-G881 WeakPolarHBondContact CD1-O 3.44Å; G881-V915 CarbonylContact C-O 3.58Å; G881-V915 WeakPolarHBondContact CA-O 3.06Å
882	L	97.4	Very high	96.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.9	175.8	58.7	85.4	0	0	0	112.1	L821 I863 L879 V884 V915 L918 V928	L821-L882 HydrophobicContact CB-CB 4.03Å; L821-L882 CarbonylContact O-C 3.58Å; L821-L882 WeakPolarHBondContact O-CA 3.44Å; L821-L882 WeakPolarHBondContact O-CB 3.19Å; I863-L882 HydrophobicContact CD1-CD1 3.93Å; I863-L882 HydrophobicContact CD1-CD2 3.79Å; I863-L882 HydrophobicContact CD1-CG 4.47Å; L879-L882 HydrophobicContact CD2-CD2 4.28Å; L882-V884 HydrophobicContact CD1-CG2 3.39Å; L882-V915 HydrophobicContact CD1-CB 4.23Å; L882-V915 HydrophobicContact CD1-CG2 3.91Å; L882-V915 HydrophobicContact CG-CB 4.26Å; L882-V915 HydrophobicContact CG-CG2 4.46Å; L882-V915 PolarHBondContact N-O 3.24Å; L882-V915 PolarHBondContact O-N 3.13Å; L882-L918 HydrophobicContact CD2-CD1 4.37Å; L882-V928 HydrophobicContact CD2-CB 3.86Å; L882-V928 HydrophobicContact CD2-CG1 4Å; L882-V928 HydrophobicContact CD2-CG2 3.82Å
883	Q	98	Very high	96.3	Very high	60 Å²	60	37.5 Å²	37.5	28%	0.28	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134	168.9	-66	-172	-48.8	0	0	109.4	L821 V823 F885 L913 T914	L821-Q883 PolarHBondContact O-N 2.98Å; V823-Q883 WeakPolarHBondContact CB-O 3.34Å; V823-Q883 PolarHBondContact N-O 3.15Å; Q883-F885 HydrophobicContact CB-CD1 4.45Å; Q883-F885 HydrophobicContact CB-CE1 3.89Å; Q883-L913 CarbonylContact C-O 3.51Å; Q883-L913 WeakPolarHBondContact CA-O 3.5Å; Q883-T914 HydrophobicContact CG-CG2 4.03Å; Q883-T914 PolarHBondContact NE2-OG1 2.9Å
884	V	98.6	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.4	175.3	-164.9	0	0	0	0	108.3	V823 L825 I863 L882 V887 V912 L913 W930	V823-V884 HydrophobicContact CB-CG1 4.28Å; V823-V884 HydrophobicContact CB-CG2 4.41Å; V823-V884 HydrophobicContact CG1-CG1 4.06Å; V823-V884 CarbonylContact O-C 3.51Å; V823-V884 WeakPolarHBondContact O-CA 3.38Å; L825-V884 HydrophobicContact CD1-CG1 3.59Å; L825-V884 HydrophobicContact CD2-CG1 4.03Å; L825-V884 HydrophobicContact CG-CG1 3.61Å; I863-V884 HydrophobicContact CD1-CG2 3.83Å; L882-V884 HydrophobicContact CD1-CG2 3.39Å; V884-V887 HydrophobicContact CB-CG2 3.68Å; V884-V887 HydrophobicContact CG1-CG2 3.49Å; V884-V887 VanDerWaalsContact CG1-CG2 3.49Å; V884-V912 WeakPolarHBondContact O-CA 3.36Å; V884-L913 HydrophobicContact CB-CB 4.25Å; V884-L913 HydrophobicContact CG2-CD2 4.31Å; V884-L913 PolarHBondContact N-O 2.92Å; V884-L913 PolarHBondContact O-N 2.97Å; V884-W930 HydrophobicContact CG1-CH2 3.95Å; V884-W930 HydrophobicContact CG1-CZ2 3.96Å; V884-W930 HydrophobicContact CG2-CE3 4.42Å; V884-W930 HydrophobicContact CG2-CH2 4.33Å; V884-W930 HydrophobicContact CG2-CZ3 4.1Å
885	F	98.5	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.5	176.5	-50.3	-25.7	0	0	0	109.9	Y768 V796 T822 V823 A824 L825 Q883 V912	Y768-F885 VanDerWaalsContact CB-CD2 3.46Å; Y768-F885 HydrophobicContact CD1-CB 3.54Å; Y768-F885 HydrophobicContact CD1-CD2 4.28Å; Y768-F885 HydrophobicContact CD1-CG 4.26Å; Y768-F885 HydrophobicContact CD2-CB 4.34Å; Y768-F885 HydrophobicContact CD2-CD2 4.48Å; Y768-F885 HydrophobicContact CE1-CB 3.8Å; Y768-F885 HydrophobicContact CG-CB 3.82Å; Y768-F885 AromaticContact CG-CD2 3.85Å; Y768-F885 HydrophobicContact CG-CD2 3.85Å; Y768-F885 HydrophobicContact CG-CG 4.27Å; V796-F885 HydrophobicContact CG2-CE2 4.5Å; T822-F885 HydrophobicContact CG2-CD2 4.22Å; T822-F885 HydrophobicContact CG2-CE1 4.49Å; T822-F885 HydrophobicContact CG2-CE2 3.45Å; T822-F885 VanDerWaalsContact CG2-CE2 3.45Å; T822-F885 HydrophobicContact CG2-CZ 3.63Å; V823-F885 PolarHBondContact O-N 3.2Å; A824-F885 HydrophobicContact CB-CD2 4.39Å; L825-F885 VanDerWaalsContact CB-O 3.31Å; L825-F885 WeakPolarHBondContact CB-O 3.17Å; L825-F885 WeakPolarHBondContact CG-O 3.36Å; L825-F885 PolarHBondContact N-O 2.89Å; Q883-F885 HydrophobicContact CB-CD1 4.45Å; Q883-F885 HydrophobicContact CB-CE1 3.89Å; F885-V912 HydrophobicContact CD1-CB 4.36Å; F885-V912 HydrophobicContact CD1-CG1 3.9Å; F885-V912 HydrophobicContact CD1-CG2 3.65Å; F885-V912 HydrophobicContact CE1-CG1 4.09Å; F885-V912 HydrophobicContact CE1-CG2 4.2Å; F885-V912 HydrophobicContact CG-CG2 4.45Å
886	G	97.3	Very high	96.9	Very high	23 Å²	23	34.7 Å²	34.7	24%	0.237	20%	0.201	C	C	.	.			trans	78.8	20	179.6	0	0	0	0	0	115	K911	G886-K911 PolarHBondContact N-O 3.19Å
887	V	97.6	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.			trans	-71.7	120.3	173.7	-178.9	0	0	0	0	108.6	L825 V884 S889 P891 Y906 K911 L913 L932	L825-V887 HydrophobicContact CD1-CG2 4.14Å; V884-V887 HydrophobicContact CB-CG2 3.68Å; V884-V887 HydrophobicContact CG1-CG2 3.49Å; V884-V887 VanDerWaalsContact CG1-CG2 3.49Å; V887-S889 WeakPolarHBondContact CG1-O 3.36Å; V887-S889 PolarHBondContact O-N 2.96Å; V887-P891 HydrophobicContact CG1-CG 4.3Å; V887-Y906 HydrophobicContact CB-CE2 4.08Å; V887-Y906 HydrophobicContact CG1-CE2 4.23Å; V887-Y906 PolarHBondContact O-OH 3.14Å; V887-Y906 VanDerWaalsContact O-OH 3.08Å; V887-K911 PolarHBondContact N-O 3.29Å; V887-K911 WeakPolarHBondContact O-CB 3.2Å; V887-L913 HydrophobicContact CB-CB 4.46Å; V887-L913 HydrophobicContact CG2-CB 3.92Å; V887-L932 HydrophobicContact CG1-CD2 3.78Å
888	P	94.5	Very high	97	Very high	87 Å²	87	36.2 Å²	36.2	57%	0.565	21%	0.214	S	C	*	.			trans	-74	-33.2	-161.2	26.8	-35.6	0	0	0	114.5	L932	P888-L932 HydrophobicContact CG-CD1 3.79Å
889	S	95.4	Very high	97	Very high	46 Å²	46	41.1 Å²	41.1	32%	0.322	24%	0.236	S	C	.	.	S	Bend	trans	-132.3	163.5	178.1	54.6	0	0	0	0	111.1	V887 P891 L932	V887-S889 WeakPolarHBondContact CG1-O 3.36Å; V887-S889 PolarHBondContact O-N 2.96Å; S889-P891 WeakPolarHBondContact O-CD 3.4Å; S889-L932 WeakPolarHBondContact O-CD2 3.3Å
890	Q	96.5	Very high	96.8	Very high	123 Å²	123	48.3 Å²	48.3	58%	0.575	27%	0.267	S	S	*	.			trans	-65.6	124.9	176.2	-179.9	171.4	3.3	0	0	110.2	L892 Y906	Q890-L892 PolarHBondContact O-N 3.46Å; Q890-Y906 VanDerWaalsContact CA-CD1 3.49Å; Q890-Y906 VanDerWaalsContact CA-CE1 3.49Å; Q890-Y906 HydrophobicContact CB-CD1 3.49Å; Q890-Y906 VanDerWaalsContact CB-CD1 3.49Å; Q890-Y906 HydrophobicContact CB-CE1 3.69Å; Q890-Y906 HydrophobicContact CB-CG 4.25Å; Q890-Y906 HydrophobicContact CG-CD1 3.74Å; Q890-Y906 HydrophobicContact CG-CE1 4.44Å; Q890-Y906 HydrophobicContact CG-CG 4.22Å
891	P	97.1	Very high	96.7	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.032	27%	0.272	C	S	.	.			trans	-63.7	135.3	176.8	-24.1	35.3	0	0	0	112.6	V887 S889 H893 V894 F904 L913 W930 V931 L932	V887-P891 HydrophobicContact CG1-CG 4.3Å; S889-P891 WeakPolarHBondContact O-CD 3.4Å; P891-H893 VanDerWaalsContact C-N 3.29Å; P891-V894 HydrophobicContact CB-CG2 4.49Å; P891-F904 HydrophobicContact CB-CE2 4.34Å; P891-L913 HydrophobicContact CG-CD1 4.17Å; P891-L913 HydrophobicContact CG-CD2 4.16Å; P891-W930 HydrophobicContact CB-CB 4.08Å; P891-W930 HydrophobicContact CG-CB 3.98Å; P891-V931 CarbonylContact C-O 3.58Å; P891-V931 WeakPolarHBondContact CA-O 3.44Å; P891-L932 HydrophobicContact CG-CD2 4.34Å
892	L	96.2	Very high	96.4	Very high	128 Å²	128	56 Å²	56	67%	0.67	31%	0.307	S	S	*	.	S	Bend	trans	-62.3	-37.3	169.6	-63.9	176	0	0	0	111.6	Q890 V931	Q890-L892 PolarHBondContact O-N 3.46Å; L892-V931 HydrophobicContact CD1-CG1 4.44Å; L892-V931 PolarHBondContact N-O 3.02Å
893	H	95.9	Very high	96.1	Very high	54 Å²	54	58.5 Å²	58.5	25%	0.25	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	164.5	170.9	56.3	-74.8	0	0	0	110.8	P891 V931	P891-H893 VanDerWaalsContact C-N 3.29Å; H893-V931 PolarHBondContact O-N 2.7Å
894	V	98	Very high	96.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	141.3	173.2	178.6	0	0	0	0	109.1	P891 V901 F904 L913 V915 V928 Q929 W930	P891-V894 HydrophobicContact CB-CG2 4.49Å; V894-V901 HydrophobicContact CB-CB 4.21Å; V894-V901 HydrophobicContact CG1-CB 4.15Å; V894-V901 HydrophobicContact CG1-CG2 4.05Å; V894-V901 PolarHBondContact O-N 3.04Å; V894-F904 HydrophobicContact CB-CD1 4.17Å; V894-F904 HydrophobicContact CB-CG 4.3Å; V894-F904 HydrophobicContact CG2-CB 4.06Å; V894-F904 HydrophobicContact CG2-CD1 3.93Å; V894-F904 HydrophobicContact CG2-CD2 3.78Å; V894-F904 HydrophobicContact CG2-CE1 4.31Å; V894-F904 HydrophobicContact CG2-CE2 4.16Å; V894-F904 HydrophobicContact CG2-CG 3.65Å; V894-F904 HydrophobicContact CG2-CZ 4.42Å; V894-L913 HydrophobicContact CG2-CD1 4.08Å; V894-L913 HydrophobicContact CG2-CD2 4.24Å; V894-V915 HydrophobicContact CG1-CG1 4.29Å; V894-V915 HydrophobicContact CG1-CG2 4.09Å; V894-V915 HydrophobicContact CG2-CG2 4.48Å; V894-V928 HydrophobicContact CG1-CG1 3.89Å; V894-Q929 CarbonylContact C-O 3.5Å; V894-Q929 WeakPolarHBondContact CA-O 3.44Å; V894-Q929 WeakPolarHBondContact CG1-O 3.14Å; V894-W930 HydrophobicContact CG2-CB 4.27Å
895	L	97.8	Very high	96	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.147	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.3	174.9	-56.8	178.4	0	0	0	109.9	E899 K900 V928 Q929	L895-E899 CarbonylContact C-O 3.46Å; L895-E899 VanDerWaalsContact CA-O 3.22Å; L895-E899 WeakPolarHBondContact CA-O 3.45Å; L895-K900 HydrophobicContact CD2-CB 4.39Å; L895-K900 HydrophobicContact CD2-CG 3.6Å; L895-V928 CarbonylContact O-C 3.21Å; L895-V928 WeakPolarHBondContact O-CA 3.22Å; L895-Q929 HydrophobicContact CB-CB 4.41Å; L895-Q929 PolarHBondContact N-O 3.38Å; L895-Q929 PolarHBondContact O-N 2.84Å
896	A	97.5	Very high	96	Very high	12 Å²	12	63.7 Å²	63.7	10%	0.099	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.7	169.6	0	0	0	0	0	108.4	G898 E899 V901 L918 L920 T927 V928	A896-G898 PolarHBondContact O-N 3.32Å; A896-G898 VanDerWaalsContact O-N 3.13Å; A896-E899 PolarHBondContact N-O 3.35Å; A896-E899 PolarHBondContact O-N 3.22Å; A896-V901 HydrophobicContact CB-CG2 3.52Å; A896-L918 HydrophobicContact CB-CD2 4.05Å; A896-L920 HydrophobicContact CB-CD1 4.23Å; A896-L920 HydrophobicContact CB-CD2 4.34Å; A896-T927 CarbonylContact C-O 3.36Å; A896-T927 WeakPolarHBondContact CA-O 3.41Å; A896-V928 HydrophobicContact CB-CG2 4.47Å
897	N	96.9	Very high	96	Very high	89 Å²	89	68 Å²	68	48%	0.476	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	31.3	-170.4	-66.8	-7.8	0	0	0	114	F926 T927	N897-F926 VanDerWaalsContact OD1-CA 3.26Å; N897-F926 WeakPolarHBondContact OD1-CA 3.26Å; N897-T927 PolarHBondContact N-O 3.06Å; N897-T927 PolarHBondContact OD1-N 3.39Å; N897-T927 PolarHBondContact OD1-O 2.97Å
898	G	95.5	Very high	95.8	Very high	56 Å²	56	71.6 Å²	71.6	58%	0.577	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	-14.5	-177.1	0	0	0	0	0	115.2	A896	A896-G898 PolarHBondContact O-N 3.32Å; A896-G898 VanDerWaalsContact O-N 3.13Å
899	E	95.9	Very high	95.8	Very high	149 Å²	149	74.5 Å²	74.5	70%	0.696	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.8	178.2	-67.8	-60.2	155.9	0	0	111.9	L895 A896 V901	L895-E899 CarbonylContact C-O 3.46Å; L895-E899 VanDerWaalsContact CA-O 3.22Å; L895-E899 WeakPolarHBondContact CA-O 3.45Å; A896-E899 PolarHBondContact N-O 3.35Å; A896-E899 PolarHBondContact O-N 3.22Å; E899-V901 PolarHBondContact O-N 3.34Å
900	K	95	Very high	95.8	Very high	150 Å²	150	73.2 Å²	73.2	65%	0.652	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	125	-178	-77.8	-175.6	176.3	-176	0	112.2	L895	L895-K900 HydrophobicContact CD2-CB 4.39Å; L895-K900 HydrophobicContact CD2-CG 3.6Å
901	V	94.7	Very high	95.9	Very high	20 Å²	20	70.9 Å²	70.9	12%	0.121	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.9	171.2	-173.1	0	0	0	0	109.3	V894 A896 E899 V915 L918	V894-V901 HydrophobicContact CB-CB 4.21Å; V894-V901 HydrophobicContact CG1-CB 4.15Å; V894-V901 HydrophobicContact CG1-CG2 4.05Å; V894-V901 PolarHBondContact O-N 3.04Å; A896-V901 HydrophobicContact CB-CG2 3.52Å; E899-V901 PolarHBondContact O-N 3.34Å; V901-V915 HydrophobicContact CB-CG1 4.47Å; V901-V915 HydrophobicContact CG1-CG1 3.76Å; V901-L918 HydrophobicContact CG1-CD2 4.23Å; V901-L918 HydrophobicContact CG2-CD2 3.96Å
902	I	89.3	Confident	95.9	Very high	146 Å²	146	70.7 Å²	70.7	75%	0.749	37%	0.371	S	S	*	.	S	Bend	trans	-82	-37.7	178.6	-58.4	172.9	0	0	0	110.5	F904	I902-F904 PolarHBondContact O-N 3.47Å
903	D	92.1	Very high	96	Very high	52 Å²	52	64.6 Å²	64.6	28%	0.278	34%	0.339	S	S	.	.			trans	-98.5	63.4	-165.1	-63.8	-58.3	0	0	0	113.3	T916 R917	D903-T916 PolarHBondContact O-N 2.86Å; D903-T916 PolarHBondContact O-OG1 3.41Å; D903-T916 VanDerWaalsContact O-OG1 3.06Å; D903-R917 IonicContact OD1-CZ 3.39Å; D903-R917 IonicContact OD1-NH1 2.88Å; D903-R917 PolarHBondContact OD1-NH1 2.84Å; D903-R917 IonicContact OD1-NH2 3.17Å; D903-R917 PolarHBondContact OD1-NH2 2.85Å; D903-R917 IonicContact OD2-CZ 3.09Å; D903-R917 IonicContact OD2-NE 2.75Å; D903-R917 IonicContact OD2-NH1 3.02Å; D903-R917 PolarHBondContact OD2-NH1 3Å; D903-R917 IonicContact OD2-NH2 2.7Å
904	F	97	Very high	96.1	Very high	53 Å²	53	63.2 Å²	63.2	23%	0.232	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154.8	171	77.2	-83.3	0	0	0	112.3	P891 V894 I902 L913 T914 V915	P891-F904 HydrophobicContact CB-CE2 4.34Å; V894-F904 HydrophobicContact CB-CD1 4.17Å; V894-F904 HydrophobicContact CB-CG 4.3Å; V894-F904 HydrophobicContact CG2-CB 4.06Å; V894-F904 HydrophobicContact CG2-CD1 3.93Å; V894-F904 HydrophobicContact CG2-CD2 3.78Å; V894-F904 HydrophobicContact CG2-CE1 4.31Å; V894-F904 HydrophobicContact CG2-CE2 4.16Å; V894-F904 HydrophobicContact CG2-CG 3.65Å; V894-F904 HydrophobicContact CG2-CZ 4.42Å; I902-F904 PolarHBondContact O-N 3.47Å; F904-L913 HydrophobicContact CB-CD1 4.17Å; F904-L913 HydrophobicContact CD2-CD1 3.71Å; F904-L913 HydrophobicContact CG-CD1 4.35Å; F904-T914 CarbonylContact C-O 3.51Å; F904-T914 VanDerWaalsContact CA-O 3.25Å; F904-T914 WeakPolarHBondContact CA-O 3.3Å; F904-V915 HydrophobicContact CB-CG2 4.27Å
905	T	97.5	Very high	96.1	Very high	88 Å²	88	63.2 Å²	63.2	54%	0.54	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.7	172.5	58.9	0	0	0	0	109.8	L913 T914	T905-L913 WeakPolarHBondContact O-CD1 3.42Å; T905-T914 PolarHBondContact N-O 3.25Å; T905-T914 PolarHBondContact O-N 2.8Å
906	Y	97.8	Very high	96	Very high	28 Å²	28	64.1 Å²	64.1	11%	0.11	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.8	175.7	173.9	-99.7	0	0	0	110.2	V887 Q890 K911 V912 L913	V887-Y906 HydrophobicContact CB-CE2 4.08Å; V887-Y906 HydrophobicContact CG1-CE2 4.23Å; V887-Y906 PolarHBondContact O-OH 3.14Å; V887-Y906 VanDerWaalsContact O-OH 3.08Å; Q890-Y906 VanDerWaalsContact CA-CD1 3.49Å; Q890-Y906 VanDerWaalsContact CA-CE1 3.49Å; Q890-Y906 HydrophobicContact CB-CD1 3.49Å; Q890-Y906 VanDerWaalsContact CB-CD1 3.49Å; Q890-Y906 HydrophobicContact CB-CE1 3.69Å; Q890-Y906 HydrophobicContact CB-CG 4.25Å; Q890-Y906 HydrophobicContact CG-CD1 3.74Å; Q890-Y906 HydrophobicContact CG-CE1 4.44Å; Q890-Y906 HydrophobicContact CG-CG 4.22Å; Y906-K911 WeakPolarHBondContact OH-CD 3.25Å; Y906-V912 CarbonylContact C-O 3.53Å; Y906-V912 WeakPolarHBondContact CA-O 3.49Å; Y906-V912 WeakPolarHBondContact CD2-O 3.44Å; Y906-L913 HydrophobicContact CD2-CB 4.36Å
907	K	97.3	Very high	95.7	Very high	115 Å²	115	72.1 Å²	72.1	50%	0.5	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.8	175.7	-68	-177.3	-179.4	178.3	0	109.2	D909 T910 K911 V912	K907-D909 PolarHBondContact O-N 3.23Å; K907-T910 WeakPolarHBondContact CB-OG1 3.48Å; K907-K911 WeakPolarHBondContact O-CA 3.41Å; K907-K911 PolarHBondContact O-N 3.22Å; K907-V912 PolarHBondContact N-O 3.38Å; K907-V912 PolarHBondContact O-N 3.16Å
908	T	94.8	Very high	95.7	Very high	75 Å²	75	68.6 Å²	68.6	46%	0.46	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.1	-177.7	-55.7	0	0	0	0	113.6	K911	T908-K911 WeakPolarHBondContact O-CD 3.44Å; T908-K911 VanDerWaalsContact O-CE 3.27Å; T908-K911 WeakPolarHBondContact O-CE 3.49Å; T908-K911 PolarHBondContact O-NZ 3.07Å
909	D	94.4	Very high	95.7	Very high	148 Å²	148	69.2 Å²	69.2	79%	0.791	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-47.7	-176.8	-52.6	-31.3	0	0	0	111.5	K907	K907-D909 PolarHBondContact O-N 3.23Å
910	T	95.3	Very high	95.7	Very high	18 Å²	18	62.9 Å²	62.9	11%	0.11	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.4	-179.4	64.9	0	0	0	0	114.1	K907 V912	K907-T910 WeakPolarHBondContact CB-OG1 3.48Å; T910-V912 VanDerWaalsContact C-N 3.29Å; T910-V912 PolarHBondContact O-N 2.82Å; T910-V912 VanDerWaalsContact OG1-CG2 3.28Å; T910-V912 WeakPolarHBondContact OG1-CG2 3.48Å
911	K	97.1	Very high	95.8	Very high	74 Å²	74	57.5 Å²	57.5	32%	0.322	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	35.4	-176.1	-52.1	-58.2	177.4	-163.3	0	113.6	G886 V887 Y906 K907 T908	G886-K911 PolarHBondContact N-O 3.19Å; V887-K911 PolarHBondContact N-O 3.29Å; V887-K911 WeakPolarHBondContact O-CB 3.2Å; Y906-K911 WeakPolarHBondContact OH-CD 3.25Å; K907-K911 WeakPolarHBondContact O-CA 3.41Å; K907-K911 PolarHBondContact O-N 3.22Å; T908-K911 WeakPolarHBondContact O-CD 3.44Å; T908-K911 VanDerWaalsContact O-CE 3.27Å; T908-K911 WeakPolarHBondContact O-CE 3.49Å; T908-K911 PolarHBondContact O-NZ 3.07Å
912	V	98.3	Very high	95.9	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.8	-176.9	177.4	0	0	0	0	111.3	N772 V884 F885 Y906 K907 T910	N772-V912 WeakPolarHBondContact O-CG2 3.35Å; V884-V912 WeakPolarHBondContact O-CA 3.36Å; F885-V912 HydrophobicContact CD1-CB 4.36Å; F885-V912 HydrophobicContact CD1-CG1 3.9Å; F885-V912 HydrophobicContact CD1-CG2 3.65Å; F885-V912 HydrophobicContact CE1-CG1 4.09Å; F885-V912 HydrophobicContact CE1-CG2 4.2Å; F885-V912 HydrophobicContact CG-CG2 4.45Å; Y906-V912 CarbonylContact C-O 3.53Å; Y906-V912 WeakPolarHBondContact CA-O 3.49Å; Y906-V912 WeakPolarHBondContact CD2-O 3.44Å; K907-V912 PolarHBondContact N-O 3.38Å; K907-V912 PolarHBondContact O-N 3.16Å; T910-V912 VanDerWaalsContact C-N 3.29Å; T910-V912 PolarHBondContact O-N 2.82Å; T910-V912 VanDerWaalsContact OG1-CG2 3.28Å; T910-V912 WeakPolarHBondContact OG1-CG2 3.48Å
913	L	98.3	Very high	96.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	127.5	162.2	170.9	61.8	0	0	0	108.6	Q883 V884 V887 P891 V894 F904 T905 Y906 V915 W930	Q883-L913 CarbonylContact C-O 3.51Å; Q883-L913 WeakPolarHBondContact CA-O 3.5Å; V884-L913 HydrophobicContact CB-CB 4.25Å; V884-L913 HydrophobicContact CG2-CD2 4.31Å; V884-L913 PolarHBondContact N-O 2.92Å; V884-L913 PolarHBondContact O-N 2.97Å; V887-L913 HydrophobicContact CB-CB 4.46Å; V887-L913 HydrophobicContact CG2-CB 3.92Å; P891-L913 HydrophobicContact CG-CD1 4.17Å; P891-L913 HydrophobicContact CG-CD2 4.16Å; V894-L913 HydrophobicContact CG2-CD1 4.08Å; V894-L913 HydrophobicContact CG2-CD2 4.24Å; F904-L913 HydrophobicContact CB-CD1 4.17Å; F904-L913 HydrophobicContact CD2-CD1 3.71Å; F904-L913 HydrophobicContact CG-CD1 4.35Å; T905-L913 WeakPolarHBondContact O-CD1 3.42Å; Y906-L913 HydrophobicContact CD2-CB 4.36Å; L913-V915 HydrophobicContact CD1-CG2 4.13Å; L913-V915 HydrophobicContact CD2-CG2 4.22Å; L913-V915 HydrophobicContact CG-CG2 3.97Å; L913-W930 HydrophobicContact CD2-CB 3.69Å; L913-W930 HydrophobicContact CD2-CD2 4.09Å; L913-W930 HydrophobicContact CD2-CE3 4.29Å; L913-W930 HydrophobicContact CD2-CG 3.85Å
914	T	98.1	Very high	96.4	Very high	24 Å²	24	54.7 Å²	54.7	15%	0.147	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.1	170.1	-62.4	0	0	0	0	109	Q883 F904 T905 T916	Q883-T914 HydrophobicContact CG-CG2 4.03Å; Q883-T914 PolarHBondContact NE2-OG1 2.9Å; F904-T914 CarbonylContact C-O 3.51Å; F904-T914 VanDerWaalsContact CA-O 3.25Å; F904-T914 WeakPolarHBondContact CA-O 3.3Å; T905-T914 PolarHBondContact N-O 3.25Å; T905-T914 PolarHBondContact O-N 2.8Å; T914-T916 HydrophobicContact CG2-CG2 3.93Å
915	V	97.6	Very high	96.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.8	177.8	-169.6	0	0	0	0	107.9	G881 L882 V894 V901 F904 L913 L918	G881-V915 CarbonylContact C-O 3.58Å; G881-V915 WeakPolarHBondContact CA-O 3.06Å; L882-V915 HydrophobicContact CD1-CB 4.23Å; L882-V915 HydrophobicContact CD1-CG2 3.91Å; L882-V915 HydrophobicContact CG-CB 4.26Å; L882-V915 HydrophobicContact CG-CG2 4.46Å; L882-V915 PolarHBondContact N-O 3.24Å; L882-V915 PolarHBondContact O-N 3.13Å; V894-V915 HydrophobicContact CG1-CG1 4.29Å; V894-V915 HydrophobicContact CG1-CG2 4.09Å; V894-V915 HydrophobicContact CG2-CG2 4.48Å; V901-V915 HydrophobicContact CB-CG1 4.47Å; V901-V915 HydrophobicContact CG1-CG1 3.76Å; F904-V915 HydrophobicContact CB-CG2 4.27Å; L913-V915 HydrophobicContact CD1-CG2 4.13Å; L913-V915 HydrophobicContact CD2-CG2 4.22Å; L913-V915 HydrophobicContact CG-CG2 3.97Å; V915-L918 HydrophobicContact CG1-CD1 4.12Å; V915-L918 HydrophobicContact CG1-CD2 3.87Å; V915-L918 HydrophobicContact CG1-CG 4.06Å
916	T	95.2	Very high	96.5	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.294	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	167.8	-175.4	64.4	0	0	0	0	111.6	D903 T914 L918	D903-T916 PolarHBondContact O-N 2.86Å; D903-T916 PolarHBondContact O-OG1 3.41Å; D903-T916 VanDerWaalsContact O-OG1 3.06Å; T914-T916 HydrophobicContact CG2-CG2 3.93Å; T916-L918 PolarHBondContact O-N 3.23Å
917	R	92.3	Very high	96.5	Very high	180 Å²	180	52.6 Å²	52.6	68%	0.679	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	56.9	34.9	175.7	-68.5	176.1	-92	153.8	-2.7	112.9	G880 D903	G880-R917 PolarHBondContact O-N 3.49Å; D903-R917 IonicContact OD1-CZ 3.39Å; D903-R917 IonicContact OD1-NH1 2.88Å; D903-R917 PolarHBondContact OD1-NH1 2.84Å; D903-R917 IonicContact OD1-NH2 3.17Å; D903-R917 PolarHBondContact OD1-NH2 2.85Å; D903-R917 IonicContact OD2-CZ 3.09Å; D903-R917 IonicContact OD2-NE 2.75Å; D903-R917 IonicContact OD2-NH1 3.02Å; D903-R917 PolarHBondContact OD2-NH1 3Å; D903-R917 IonicContact OD2-NH2 2.7Å
918	L	95.7	Very high	96.5	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	157.4	164.7	-61.1	-176.9	0	0	0	109.8	L879 G880 L882 A896 V901 V915 T916 L920 V928	L879-L918 HydrophobicContact CD2-CD1 4.07Å; L879-L918 CarbonylContact O-C 3.57Å; L879-L918 VanDerWaalsContact O-CB 3.29Å; L879-L918 WeakPolarHBondContact O-CB 3.5Å; G880-L918 WeakPolarHBondContact CA-O 3.25Å; G880-L918 PolarHBondContact O-N 2.91Å; L882-L918 HydrophobicContact CD2-CD1 4.37Å; A896-L918 HydrophobicContact CB-CD2 4.05Å; V901-L918 HydrophobicContact CG1-CD2 4.23Å; V901-L918 HydrophobicContact CG2-CD2 3.96Å; V915-L918 HydrophobicContact CG1-CD1 4.12Å; V915-L918 HydrophobicContact CG1-CD2 3.87Å; V915-L918 HydrophobicContact CG1-CG 4.06Å; T916-L918 PolarHBondContact O-N 3.23Å; L918-L920 HydrophobicContact CB-CG 4.39Å; L918-L920 HydrophobicContact CD1-CD1 4.05Å; L918-V928 HydrophobicContact CD1-CG2 4.04Å
919	A	95.4	Very high	96.7	Very high	70 Å²	70	46.9 Å²	46.9	58%	0.579	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	46.5	175.6	0	0	0	0	0	109.7	L878	L878-A919 HydrophobicContact CD1-CB 4.32Å
920	L	96.9	Very high	96.8	Very high	15 Å²	15	40 Å²	40	8%	0.079	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123	-174.6	-58.3	173.8	0	0	0	109.5	L878 L879 A896 L918 M922 F926 V928	L878-L920 CarbonylContact C-O 3.57Å; L878-L920 WeakPolarHBondContact CA-O 3.32Å; L879-L920 HydrophobicContact CB-CB 4.27Å; L879-L920 HydrophobicContact CD2-CD1 4.4Å; L879-L920 PolarHBondContact N-O 2.98Å; L879-L920 PolarHBondContact O-N 2.94Å; A896-L920 HydrophobicContact CB-CD1 4.23Å; A896-L920 HydrophobicContact CB-CD2 4.34Å; L918-L920 HydrophobicContact CB-CG 4.39Å; L918-L920 HydrophobicContact CD1-CD1 4.05Å; L920-M922 PolarHBondContact O-N 3.06Å; L920-F926 HydrophobicContact CB-CB 4.03Å; L920-F926 HydrophobicContact CB-CD1 4.12Å; L920-F926 HydrophobicContact CB-CG 4.01Å; L920-F926 HydrophobicContact CD1-CB 4.08Å; L920-F926 HydrophobicContact CD1-CD2 3.98Å; L920-F926 HydrophobicContact CD1-CG 4.1Å; L920-F926 HydrophobicContact CD2-CB 4.45Å; L920-F926 HydrophobicContact CG-CB 4.41Å; L920-V928 HydrophobicContact CD1-CG2 3.57Å
921	P	96.9	Very high	96.8	Very high	38 Å²	38	41.2 Å²	41.2	25%	0.247	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	127.4	-178.4	-22	33.9	0	0	0	112.3	L878 S923 K924	L878-P921 HydrophobicContact CD2-CB 4.35Å; L878-P921 HydrophobicContact CD2-CG 4.28Å; P921-S923 PolarHBondContact O-N 3.01Å; P921-K924 HydrophobicContact CB-CB 4.4Å; P921-K924 HydrophobicContact CB-CD 4.36Å; P921-K924 HydrophobicContact CB-CG 4.31Å; P921-K924 HydrophobicContact CG-CD 4.37Å; P921-K924 PolarHBondContact O-N 2.89Å; P921-K924 VanDerWaalsContact O-N 3.14Å
922	M	96.7	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.1	177.6	-67.2	-66.6	-71.9	0	0	112.9	F819 L835 F856 L874 L877 L879 L920 K924 F926	F819-M922 HydrophobicContact CB-CE 4.06Å; F819-M922 HydrophobicContact CB-CG 4.41Å; F819-M922 HydrophobicContact CB-SD 4.06Å; F819-M922 HydrophobicContact CD1-CE 4.24Å; F819-M922 HydrophobicContact CD2-CE 4Å; F819-M922 HydrophobicContact CD2-CG 3.64Å; F819-M922 HydrophobicContact CD2-SD 4.25Å; F819-M922 HydrophobicContact CE2-CE 4.48Å; F819-M922 HydrophobicContact CE2-CG 4.23Å; F819-M922 HydrophobicContact CG-CE 3.85Å; F819-M922 HydrophobicContact CG-CG 4.27Å; F819-M922 HydrophobicContact CG-SD 4.29Å; L835-M922 HydrophobicContact CD2-CE 3.63Å; F856-M922 HydrophobicContact CE1-CE 4.28Å; F856-M922 HydrophobicContact CZ-CE 3.85Å; L874-M922 HydrophobicContact CB-CB 4.25Å; L874-M922 HydrophobicContact CD1-CB 4.25Å; L874-M922 HydrophobicContact CD2-CB 4.21Å; L874-M922 HydrophobicContact CG-CB 4.48Å; L877-M922 WeakPolarHBondContact O-CB 3.3Å; L877-M922 PolarHBondContact O-N 2.8Å; L879-M922 HydrophobicContact CB-SD 3.88Å; L879-M922 HydrophobicContact CD1-SD 4.27Å; L920-M922 PolarHBondContact O-N 3.06Å; M922-K924 VanDerWaalsContact C-N 3.28Å; M922-K924 PolarHBondContact O-N 3.24Å; M922-F926 HydrophobicContact SD-CE1 3.94Å; M922-F926 HydrophobicContact SD-CZ 4.35Å
923	S	96.1	Very high	96.5	Very high	24 Å²	24	43.7 Å²	43.7	17%	0.168	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.5	174.9	45.6	0	0	0	0	114.6	L870 L874 P921	L870-S923 VanDerWaalsContact CD1-O 3.25Å; L870-S923 WeakPolarHBondContact CD1-O 3.46Å; L874-S923 VanDerWaalsContact O-CB 3.29Å; L874-S923 WeakPolarHBondContact O-CB 3.26Å; L874-S923 PolarHBondContact O-OG 3.01Å; L874-S923 VanDerWaalsContact O-OG 3.06Å; P921-S923 PolarHBondContact O-N 3.01Å
924	K	96.7	Very high	96.4	Very high	134 Å²	134	45.9 Å²	45.9	58%	0.583	25%	0.245	S	C	*	.	S	Bend	trans	-136.2	152	179.2	-64.1	-177.1	-177.9	176.9	0	110.9	S865 P921 M922 F926	S865-K924 PolarHBondContact OG-O 2.93Å; P921-K924 HydrophobicContact CB-CB 4.4Å; P921-K924 HydrophobicContact CB-CD 4.36Å; P921-K924 HydrophobicContact CB-CG 4.31Å; P921-K924 HydrophobicContact CG-CD 4.37Å; P921-K924 PolarHBondContact O-N 2.89Å; P921-K924 VanDerWaalsContact O-N 3.14Å; M922-K924 VanDerWaalsContact C-N 3.28Å; M922-K924 PolarHBondContact O-N 3.24Å; K924-F926 PolarHBondContact O-N 3.39Å
925	T	97.6	Very high	96.3	Very high	89 Å²	89	47.2 Å²	47.2	55%	0.546	25%	0.251	S	S	.	.			trans	-54.3	124.6	164	-57.3	0	0	0	0	109.5	I864 S865	I864-T925 HydrophobicContact CG2-CG2 4.45Å; S865-T925 WeakPolarHBondContact O-CG2 3.23Å
926	F	97.8	Very high	96.2	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.265	C	S	.	.			trans	-131.1	154.1	170.9	64.1	-107.8	0	0	0	110.1	L821 F856 I864 S865 L879 N897 L920 M922 K924	L821-F926 HydrophobicContact CD1-CZ 4.35Å; F856-F926 HydrophobicContact CD1-CZ 4.43Å; F856-F926 HydrophobicContact CE1-CZ 4.09Å; I864-F926 WeakPolarHBondContact CA-O 3.19Å; S865-F926 PolarHBondContact N-O 2.83Å; S865-F926 WeakPolarHBondContact OG-CD1 3.47Å; S865-F926 VanDerWaalsContact OG-CE1 3.3Å; S865-F926 WeakPolarHBondContact OG-CE1 3.29Å; S865-F926 VanDerWaalsContact OG-CG 3.3Å; S865-F926 WeakPolarHBondContact OG-CG 3.4Å; S865-F926 PolarHBondContact OG-N 3.08Å; L879-F926 HydrophobicContact CD2-CD2 4.46Å; L879-F926 HydrophobicContact CD2-CE2 3.74Å; L879-F926 HydrophobicContact CD2-CZ 3.77Å; N897-F926 VanDerWaalsContact OD1-CA 3.26Å; N897-F926 WeakPolarHBondContact OD1-CA 3.26Å; L920-F926 HydrophobicContact CB-CB 4.03Å; L920-F926 HydrophobicContact CB-CD1 4.12Å; L920-F926 HydrophobicContact CB-CG 4.01Å; L920-F926 HydrophobicContact CD1-CB 4.08Å; L920-F926 HydrophobicContact CD1-CD2 3.98Å; L920-F926 HydrophobicContact CD1-CG 4.1Å; L920-F926 HydrophobicContact CD2-CB 4.45Å; L920-F926 HydrophobicContact CG-CB 4.41Å; M922-F926 HydrophobicContact SD-CE1 3.94Å; M922-F926 HydrophobicContact SD-CZ 4.35Å; K924-F926 PolarHBondContact O-N 3.39Å
927	T	97.9	Very high	96.3	Very high	35 Å²	35	50.1 Å²	50.1	22%	0.215	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.4	175.6	-55	0	0	0	0	109.6	Q862 I863 I864 A896 N897	Q862-T927 HydrophobicContact CB-CG2 4.19Å; I863-T927 CarbonylContact O-C 3.56Å; I863-T927 VanDerWaalsContact O-CA 3.26Å; I863-T927 WeakPolarHBondContact O-CA 3.5Å; I864-T927 HydrophobicContact CG1-CG2 4.03Å; A896-T927 CarbonylContact C-O 3.36Å; A896-T927 WeakPolarHBondContact CA-O 3.41Å; N897-T927 PolarHBondContact N-O 3.06Å; N897-T927 PolarHBondContact OD1-N 3.39Å; N897-T927 PolarHBondContact OD1-O 2.97Å
928	V	98.3	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.4	166.9	-176.7	0	0	0	0	108.7	Q862 I863 L882 V894 L895 A896 L918 L920	Q862-V928 CarbonylContact C-O 3.55Å; Q862-V928 VanDerWaalsContact CA-O 3.26Å; Q862-V928 WeakPolarHBondContact CA-O 3.35Å; I863-V928 PolarHBondContact N-O 3.5Å; I863-V928 PolarHBondContact O-N 3.13Å; L882-V928 HydrophobicContact CD2-CB 3.86Å; L882-V928 HydrophobicContact CD2-CG1 4Å; L882-V928 HydrophobicContact CD2-CG2 3.82Å; V894-V928 HydrophobicContact CG1-CG1 3.89Å; L895-V928 CarbonylContact O-C 3.21Å; L895-V928 WeakPolarHBondContact O-CA 3.22Å; A896-V928 HydrophobicContact CB-CG2 4.47Å; L918-V928 HydrophobicContact CD1-CG2 4.04Å; L920-V928 HydrophobicContact CD1-CG2 3.57Å
929	Q	98.1	Very high	96.6	Very high	71 Å²	71	43.4 Å²	43.4	33%	0.332	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	139.2	-175.7	-178.3	179.9	23.1	0	0	110.4	S861 Q862 V894 L895	S861-Q929 WeakPolarHBondContact O-CA 3.2Å; S861-Q929 WeakPolarHBondContact O-CG 3.29Å; Q862-Q929 HydrophobicContact CB-CB 3.97Å; Q862-Q929 HydrophobicContact CB-CG 4.15Å; V894-Q929 CarbonylContact C-O 3.5Å; V894-Q929 WeakPolarHBondContact CA-O 3.44Å; V894-Q929 WeakPolarHBondContact CG1-O 3.14Å; L895-Q929 HydrophobicContact CB-CB 4.41Å; L895-Q929 PolarHBondContact N-O 3.38Å; L895-Q929 PolarHBondContact O-N 2.84Å
930	W	97.6	Very high	96.7	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.011	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.6	171.2	55.2	94.5	0	0	0	109.9	L825 S861 I863 V884 P891 V894 L913	L825-W930 HydrophobicContact CD1-CZ2 3.95Å; L825-W930 HydrophobicContact CD2-CH2 4.48Å; L825-W930 HydrophobicContact CD2-CZ2 4.37Å; S861-W930 VanDerWaalsContact CA-CE2 3.44Å; S861-W930 VanDerWaalsContact CB-O 3.22Å; S861-W930 WeakPolarHBondContact CB-O 3.33Å; S861-W930 VanDerWaalsContact O-CD2 3.26Å; S861-W930 PolarHBondContact O-N 2.56Å; I863-W930 HydrophobicContact CD1-CH2 4.12Å; I863-W930 HydrophobicContact CD1-CZ3 3.69Å; I863-W930 HydrophobicContact CG1-CH2 3.96Å; I863-W930 HydrophobicContact CG1-CZ3 3.77Å; V884-W930 HydrophobicContact CG1-CH2 3.95Å; V884-W930 HydrophobicContact CG1-CZ2 3.96Å; V884-W930 HydrophobicContact CG2-CE3 4.42Å; V884-W930 HydrophobicContact CG2-CH2 4.33Å; V884-W930 HydrophobicContact CG2-CZ3 4.1Å; P891-W930 HydrophobicContact CB-CB 4.08Å; P891-W930 HydrophobicContact CG-CB 3.98Å; V894-W930 HydrophobicContact CG2-CB 4.27Å; L913-W930 HydrophobicContact CD2-CB 3.69Å; L913-W930 HydrophobicContact CD2-CD2 4.09Å; L913-W930 HydrophobicContact CD2-CE3 4.29Å; L913-W930 HydrophobicContact CD2-CG 3.85Å
931	V	95.2	Very high	96.7	Very high	44 Å²	44	43.5 Å²	43.5	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.9	-179.6	-176.5	0	0	0	0	108.3	P891 L892 H893	P891-V931 CarbonylContact C-O 3.58Å; P891-V931 WeakPolarHBondContact CA-O 3.44Å; L892-V931 HydrophobicContact CD1-CG1 4.44Å; L892-V931 PolarHBondContact N-O 3.02Å; H893-V931 PolarHBondContact O-N 2.7Å
932	L	91.8	Very high	96.7	Very high	83 Å²	83	44 Å²	44	44%	0.435	23%	0.233	S	C	.	.			trans	-90.2	0	-174.8	-63.5	179.2	0	0	0	113.8	V887 P888 S889 P891	V887-L932 HydrophobicContact CG1-CD2 3.78Å; P888-L932 HydrophobicContact CG-CD1 3.79Å; S889-L932 WeakPolarHBondContact O-CD2 3.3Å; P891-L932 HydrophobicContact CG-CD2 4.34Å

Retrieved 932 of 932 residues in 673.4 ms (Link to these results)

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