A0A087YHL1_POEFO Loading...

Histone deacetylase

Responsible for the deacetylation of lysine residues on the N-terminal part of the core histones (H2A, H2B, H3 and H4). Histone deacetylation gives a tag for epigenetic repression and plays an important role in transcriptional regulation, cell cycle progression and developmental events.

AlphaFold DB , UniProt , Accession A0A087YHL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 953 aa.

						>A0A087YHL1_POEFO|A0A087YHL1
MDLRVGERGTPLHQPLLLTPFSPQGRSAFSQQQQQLHQQIRFNMEQRRREQEHHEKHQELQQLMHKDRSQQSAVASSVVKQKLQEVILKKQKQAALERTNSNALNAHPVPYRKLGPDPNVPAQPLVSSPPQPPSDGLEGTPLRRAASEPNLKVKHKLKNHLKTRKSPLTRKESAPPTIKHRASDTLDSSPSSSSTPVSGCSSPNDSLPNENGLLPSAGGPLHEAQKLLLRDGTLSNFTIQNPSTLPTITLGLPVNPRAEVELSSLKMSRIPVVAAGGSPVFLPLSRDDQAGQMNPHLPVIILEPSGLMHTLGVPGLDPVPLQFVSQLDRLSPGGVQAHKPLSRTRSEPLPQSPRALHNHLLQQQHNAQLLERLKQQTHLGKLMSKSSEKPRLHQIPSEDMDSEDGGGASPTETSYQSRVRAESLREAEPTGSKAHEEQINLQHALILNQSLLYEQQKQLQQMHQQMETLAVPVFRGGGPACVPGGHRALSRTRSLPASTSLTSPENTLSLTAQDTVSKPRFTTGLVYDSQMLKHQCTCGDNSSHPEHAGRIQSIWSRLQERGLRGQCESIRGRKANLEELQSVHTERHVLLYGTNPLNRLKLDNRKLAGILSQRMFVMLPCGGVGVDNDTIWNESHTSTASRMAAGSVVELSFRVAKGELKNGFAVVRPPGHHADPSNPMGFCYFNSVAIAAKQLQQKLSVSKILIVDWDVHHGNGTQEVFYSDPSVLYISLHRYDDANFFPGSGSPTEVGSGAGEGFNVNIAWTGGLEPPMGDAEYLAAFRSVVMPIAQEFSPDVVLVSAGFDAAEGNPAPLGGYKVSAKCFGFLTRQLMSLAGGRLILALEGGHDLTAICDASEACVSELLGMQDAMPEDVLLQKPNANAVRSLQTVIEIQSQYWQSVKAHSGSVGRSYVAAQSKDCEETDAVNALASLSVGVISNKRLLDEPMDHESDSM
					

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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	32.6	Very low	34.3	Very low	239 Å²	239	152.8 Å²	152.8	100%	1.177	83%	0.831	S	S	*	*				0	84.3	0	-58.2	178.3	-175.9	0	0	105.8
2	D	32.6	Very low	34.2	Very low	120 Å²	120	153.9 Å²	153.9	64%	0.642	83%	0.834	S	S	*	*			cis	78	153.1	24	-155.6	9.6	0	0	0	114.9	R4	D2-R4 IonicContact OD1-NE 3.13Å
3	L	32.6	Very low	33.9	Very low	154 Å²	154	157.2 Å²	157.2	81%	0.806	84%	0.84	S	S	*	*			trans	75.9	116.9	-158.5	-48.9	176.2	0	0	0	112
4	R	37.8	Very low	33.7	Very low	214 Å²	214	158.6 Å²	158.6	81%	0.808	84%	0.839	S	S	*	*			cis	72	139.8	31.1	-46.3	-173.4	-165.4	-145.2	5.8	113	D2	D2-R4 IonicContact OD1-NE 3.13Å
5	V	37.3	Very low	34.1	Very low	139 Å²	139	156.4 Å²	156.4	84%	0.842	84%	0.837	S	S	*	*			cis	-130.8	169	17.2	173.3	0	0	0	0	108
6	G	31.1	Very low	34	Very low	71 Å²	71	158 Å²	158	73%	0.732	84%	0.844	S	S	*	*			cis	115.2	163.4	20.6	0	0	0	0	0	110
7	E	38.9	Very low	34	Very low	169 Å²	169	158.5 Å²	158.5	79%	0.79	85%	0.846	S	S	*	*			cis	-167.1	-169.4	4.3	-161.1	-128.4	-101	0	0	110.2
8	R	31	Very low	34.3	Very low	233 Å²	233	158.9 Å²	158.9	88%	0.879	85%	0.847	S	S	*	*			trans	69.2	134.9	177.5	-51.7	-179.2	-177.2	-169.6	1.6	117.9
9	G	28	Very low	34.2	Very low	76 Å²	76	157.4 Å²	157.4	78%	0.784	84%	0.844	S	S	*	*			cis	-164.8	167.2	-3.1	0	0	0	0	0	113.3
10	T	32.2	Very low	34.6	Very low	142 Å²	142	155.8 Å²	155.8	87%	0.871	84%	0.843	S	S	*	*			trans	-100.7	177.5	-166.9	37.9	0	0	0	0	113.4
11	P	43.1	Very low	34.6	Very low	124 Å²	124	158.7 Å²	158.7	81%	0.805	85%	0.848	S	S	*	*			cis	-143.7	-174.5	24.1	44.1	-22.8	0	0	0	119.5
12	L	33.8	Very low	34.8	Very low	166 Å²	166	151.6 Å²	151.6	87%	0.869	82%	0.822	S	S	*	*			trans	-92.7	169.7	179.7	-71.6	152.3	0	0	0	113.3
13	H	30.5	Very low	35.4	Very low	197 Å²	197	151.2 Å²	151.2	91%	0.912	83%	0.826	S	S	*	*			trans	-143.8	157.9	159.2	-121.4	-88.8	0	0	0	113.1
14	Q	30.8	Very low	35.8	Very low	177 Å²	177	152.1 Å²	152.1	83%	0.827	83%	0.826	S	S	*	*			trans	-103	168.7	-169.8	-100.6	-174.8	-14	0	0	114.5
15	P	39.2	Very low	36	Very low	125 Å²	125	144.1 Å²	144.1	81%	0.812	81%	0.81	S	S	*	*			trans	-80.5	166	-172.7	33.9	-37.4	0	0	0	114.7
16	L	32	Very low	36.2	Very low	182 Å²	182	148.1 Å²	148.1	95%	0.953	81%	0.81	S	S	*	*			trans	-105.5	161.7	-178.1	-86.9	167.5	0	0	0	114.2
17	L	35	Very low	36.9	Very low	166 Å²	166	149 Å²	149	87%	0.869	81%	0.806	S	S	*	*			trans	-112.2	166.7	-165.5	-108.7	161.2	0	0	0	114.1
18	L	39.8	Very low	37.5	Very low	166 Å²	166	143.7 Å²	143.7	87%	0.869	79%	0.791	S	S	*	*			trans	-74.6	158.4	178.9	-73.3	153.9	0	0	0	113.5
19	T	31.5	Very low	38.3	Very low	130 Å²	130	139.8 Å²	139.8	80%	0.798	78%	0.78	S	S	*	*			trans	-132.1	153.7	173	51.3	0	0	0	0	112.5
20	P	42.4	Very low	39.3	Very low	126 Å²	126	139.2 Å²	139.2	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-97.3	163.3	-169.7	37.6	-36.4	0	0	0	115.4
21	F	35.5	Very low	40.1	Very low	217 Å²	217	139 Å²	139	95%	0.952	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-94.6	156.8	-178.5	-89.2	-93.4	0	0	0	115.3
22	S	35.7	Very low	40.7	Very low	89 Å²	89	139 Å²	139	62%	0.622	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-94.9	147.6	-174.5	176.9	0	0	0	0	113.7	Q24	S22-Q24 PolarHBondContact O-N 3.33Å
23	P	45.6	Very low	41.7	Very low	113 Å²	113	136.7 Å²	136.7	73%	0.734	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-81	3.4	-163.6	31.1	-37.8	0	0	0	117.8	G25	P23-G25 VanDerWaalsContact C-N 3.28Å; P23-G25 PolarHBondContact O-N 3.4Å
24	Q	40.7	Very low	42.7	Very low	172 Å²	172	133.5 Å²	133.5	80%	0.804	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-69.3	-14.7	-172	-74.2	-178.8	-20.1	0	0	115.6	S22 R26	S22-Q24 PolarHBondContact O-N 3.33Å; Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 2.88Å
25	G	42.8	Very low	44.1	Very low	46 Å²	46	131.1 Å²	131.1	47%	0.474	70%	0.702	S	S	.	*	G	3₁₀ helix	trans	-73.1	-10.1	-173.3	0	0	0	0	0	117.2	P23	P23-G25 VanDerWaalsContact C-N 3.28Å; P23-G25 PolarHBondContact O-N 3.4Å
26	R	41.2	Very low	44.9	Very low	223 Å²	223	130.2 Å²	130.2	84%	0.842	69%	0.69	S	S	*	*	H	α-helix	trans	-75.7	-25.8	-167.5	-73.5	-171.7	173.5	-169.1	-1.6	115.8	Q24	Q24-R26 VanDerWaalsContact C-N 3.34Å; Q24-R26 PolarHBondContact O-N 2.88Å
27	S	46.6	Very low	46.3	Very low	91 Å²	91	126.3 Å²	126.3	64%	0.636	67%	0.666	S	S	*	*	H	α-helix	trans	-76.9	-46.2	180	52.2	0	0	0	0	112.5	F29 S30 Q31	S27-F29 VanDerWaalsContact C-N 3.34Å; S27-F29 PolarHBondContact O-N 3.18Å; S27-S30 PolarHBondContact O-N 3.16Å; S27-Q31 PolarHBondContact O-N 3.41Å
28	A	50.1	Low	47.3	Very low	57 Å²	57	125.2 Å²	125.2	47%	0.471	66%	0.656	S	S	.	*	H	α-helix	trans	-59.2	-42.7	179.9	0	0	0	0	0	112.3	S30 Q31 Q32	A28-S30 VanDerWaalsContact C-N 3.35Å; A28-S30 PolarHBondContact O-N 2.92Å; A28-Q31 PolarHBondContact O-N 3.41Å; A28-Q32 WeakPolarHBondContact O-CB 3.33Å; A28-Q32 PolarHBondContact O-N 2.94Å
29	F	47.7	Very low	48.2	Very low	150 Å²	150	123 Å²	123	66%	0.658	64%	0.642	S	S	*	*	H	α-helix	trans	-59	-42	177.2	-110.7	-88.1	0	0	0	113	S27 Q31 Q32 Q33	S27-F29 VanDerWaalsContact C-N 3.34Å; S27-F29 PolarHBondContact O-N 3.18Å; F29-Q31 VanDerWaalsContact C-N 3.35Å; F29-Q31 PolarHBondContact O-N 3.44Å; F29-Q32 PolarHBondContact O-N 2.9Å; F29-Q33 VanDerWaalsContact O-CB 3.24Å; F29-Q33 WeakPolarHBondContact O-CB 3.02Å; F29-Q33 PolarHBondContact O-N 3.5Å
30	S	49.1	Very low	49.7	Very low	65 Å²	65	120.9 Å²	120.9	46%	0.455	63%	0.625	S	S	.	*	H	α-helix	trans	-62.9	-41.5	177.6	-175.5	0	0	0	0	112	S27 A28 Q33 Q34	S27-S30 PolarHBondContact O-N 3.16Å; A28-S30 VanDerWaalsContact C-N 3.35Å; A28-S30 PolarHBondContact O-N 2.92Å; S30-Q33 PolarHBondContact O-N 2.8Å; S30-Q34 PolarHBondContact O-N 2.94Å
31	Q	49.8	Very low	50.4	Low	138 Å²	138	124 Å²	124	65%	0.645	62%	0.62	S	S	*	*	H	α-helix	trans	-70.3	-41.3	-179.8	-152.5	169.4	31.4	0	0	111.9	S27 A28 F29 Q34 Q35	S27-Q31 PolarHBondContact O-N 3.41Å; A28-Q31 PolarHBondContact O-N 3.41Å; F29-Q31 VanDerWaalsContact C-N 3.35Å; F29-Q31 PolarHBondContact O-N 3.44Å; Q31-Q34 PolarHBondContact O-N 3.45Å; Q31-Q35 PolarHBondContact O-N 3.27Å; Q31-Q35 VanDerWaalsContact O-N 3.12Å
32	Q	54.8	Low	51.8	Low	123 Å²	123	119.2 Å²	119.2	58%	0.575	60%	0.599	S	S	*	*	H	α-helix	trans	-63.7	-39.3	173	-171.2	175.6	4.6	0	0	111.8	A28 F29 Q35 L36	A28-Q32 WeakPolarHBondContact O-CB 3.33Å; A28-Q32 PolarHBondContact O-N 2.94Å; F29-Q32 PolarHBondContact O-N 2.9Å; Q32-Q35 PolarHBondContact O-N 2.95Å; Q32-L36 PolarHBondContact O-N 3.1Å
33	Q	54.5	Low	53.3	Low	117 Å²	117	118.9 Å²	118.9	55%	0.547	59%	0.591	S	S	.	*	H	α-helix	trans	-68.1	-33.3	176.8	-166.3	175.4	28.6	0	0	112.4	F29 S30 H37	F29-Q33 VanDerWaalsContact O-CB 3.24Å; F29-Q33 WeakPolarHBondContact O-CB 3.02Å; F29-Q33 PolarHBondContact O-N 3.5Å; S30-Q33 PolarHBondContact O-N 2.8Å; Q33-H37 PolarHBondContact O-N 3.39Å; Q33-H37 VanDerWaalsContact O-N 3.13Å; Q33-H37 PolarHBondContact O-ND1 3.29Å
34	Q	53	Low	54.1	Low	131 Å²	131	118.9 Å²	118.9	61%	0.612	58%	0.582	S	S	*	*	H	α-helix	trans	-67	-43.1	171.2	-79.4	-170.6	-18.8	0	0	112.5	S30 Q31 L36 H37 Q38	S30-Q34 PolarHBondContact O-N 2.94Å; Q31-Q34 PolarHBondContact O-N 3.45Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; Q34-L36 PolarHBondContact O-N 2.87Å; Q34-H37 PolarHBondContact O-N 3.35Å; Q34-Q38 PolarHBondContact O-N 2.95Å
35	Q	59.1	Low	55.1	Low	127 Å²	127	113.7 Å²	113.7	59%	0.593	56%	0.558	S	S	*	*	H	α-helix	trans	-61	-43.4	175.1	-73.2	179.6	-21.8	0	0	111.5	Q31 Q32 H37 Q38 Q39	Q31-Q35 PolarHBondContact O-N 3.27Å; Q31-Q35 VanDerWaalsContact O-N 3.12Å; Q32-Q35 PolarHBondContact O-N 2.95Å; Q35-H37 VanDerWaalsContact C-N 3.35Å; Q35-H37 PolarHBondContact O-N 2.94Å; Q35-Q38 PolarHBondContact O-N 3.08Å; Q35-Q38 VanDerWaalsContact O-N 3.14Å; Q35-Q39 PolarHBondContact O-N 3.34Å
36	L	56.9	Low	56	Low	106 Å²	106	114.6 Å²	114.6	56%	0.555	55%	0.55	S	S	*	.	H	α-helix	trans	-60.3	-42	176.6	-166.1	71.1	0	0	0	112.1	Q32 Q34 Q38 Q39 I40	Q32-L36 PolarHBondContact O-N 3.1Å; Q34-L36 VanDerWaalsContact C-N 3.34Å; Q34-L36 PolarHBondContact O-N 2.87Å; L36-Q38 PolarHBondContact O-N 3.47Å; L36-Q39 WeakPolarHBondContact O-CB 3.25Å; L36-Q39 PolarHBondContact O-N 3.42Å; L36-I40 HydrophobicContact CG-CD1 4.11Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.43Å
37	H	60.4	Low	57.2	Low	99 Å²	99	110.4 Å²	110.4	46%	0.458	53%	0.534	S	S	.	.	H	α-helix	trans	-65.6	-34.5	175.1	-78.8	96.3	0	0	0	113.3	Q33 Q34 Q35 R41	Q33-H37 PolarHBondContact O-N 3.39Å; Q33-H37 VanDerWaalsContact O-N 3.13Å; Q33-H37 PolarHBondContact O-ND1 3.29Å; Q34-H37 PolarHBondContact O-N 3.35Å; Q35-H37 VanDerWaalsContact C-N 3.35Å; Q35-H37 PolarHBondContact O-N 2.94Å; H37-R41 WeakPolarHBondContact O-CG 3.32Å; H37-R41 PolarHBondContact O-N 2.99Å
38	Q	55.8	Low	58	Low	143 Å²	143	111.7 Å²	111.7	67%	0.668	53%	0.525	S	S	*	.	H	α-helix	trans	-67.5	-42.3	172.8	-71.6	-177.1	-8.3	0	0	111.5	Q34 Q35 L36 I40 R41 F42	Q34-Q38 PolarHBondContact O-N 2.95Å; Q35-Q38 PolarHBondContact O-N 3.08Å; Q35-Q38 VanDerWaalsContact O-N 3.14Å; L36-Q38 PolarHBondContact O-N 3.47Å; Q38-I40 PolarHBondContact O-N 3.13Å; Q38-R41 PolarHBondContact O-N 3.33Å; Q38-F42 PolarHBondContact O-N 2.74Å
39	Q	58.5	Low	58.6	Low	119 Å²	119	115.1 Å²	115.1	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-58.8	-45.2	174.8	-159.5	77.7	28.1	0	0	111.7	Q35 L36 F42 N43	Q35-Q39 PolarHBondContact O-N 3.34Å; L36-Q39 WeakPolarHBondContact O-CB 3.25Å; L36-Q39 PolarHBondContact O-N 3.42Å; Q39-F42 PolarHBondContact O-N 3.34Å; Q39-N43 PolarHBondContact O-N 3.32Å; Q39-N43 PolarHBondContact O-OD1 3.09Å
40	I	63.8	Low	59.5	Low	87 Å²	87	113.8 Å²	113.8	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-45	177.9	-69.3	163.8	0	0	0	111	L36 Q38 F42 N43 M44	L36-I40 HydrophobicContact CG-CD1 4.11Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.43Å; Q38-I40 PolarHBondContact O-N 3.13Å; I40-F42 VanDerWaalsContact C-N 3.34Å; I40-F42 PolarHBondContact O-N 3.41Å; I40-N43 PolarHBondContact O-N 3.38Å; I40-M44 HydrophobicContact CG2-CG 4.42Å; I40-M44 VanDerWaalsContact O-CG 3.22Å; I40-M44 WeakPolarHBondContact O-CG 3.34Å; I40-M44 PolarHBondContact O-N 3.41Å
41	R	56.3	Low	60.3	Low	190 Å²	190	116.4 Å²	116.4	72%	0.717	53%	0.527	S	S	*	.	H	α-helix	trans	-61	-41.5	175.5	-73.6	-179	-167.2	-171.7	5.1	112.2	H37 Q38 M44 E45	H37-R41 WeakPolarHBondContact O-CG 3.32Å; H37-R41 PolarHBondContact O-N 2.99Å; Q38-R41 PolarHBondContact O-N 3.33Å; R41-M44 PolarHBondContact O-N 3.49Å; R41-E45 WeakPolarHBondContact O-CB 3.39Å; R41-E45 PolarHBondContact O-N 3.05Å
42	F	66.4	Low	61.1	Low	117 Å²	117	113 Å²	113	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-47.1	176.6	-176.3	-95	0	0	0	111.3	Q38 Q39 I40 M44 E45 Q46	Q38-F42 PolarHBondContact O-N 2.74Å; Q39-F42 PolarHBondContact O-N 3.34Å; I40-F42 VanDerWaalsContact C-N 3.34Å; I40-F42 PolarHBondContact O-N 3.41Å; F42-M44 VanDerWaalsContact C-N 3.32Å; F42-M44 PolarHBondContact O-N 3.26Å; F42-E45 PolarHBondContact O-N 3.17Å; F42-Q46 HydrophobicContact CD1-CG 4.08Å; F42-Q46 HydrophobicContact CE1-CG 3.76Å; F42-Q46 HydrophobicContact CZ-CG 4.12Å; F42-Q46 WeakPolarHBondContact O-CG 3.45Å; F42-Q46 PolarHBondContact O-N 2.9Å
43	N	66.7	Low	61.8	Low	83 Å²	83	113.2 Å²	113.2	44%	0.444	51%	0.511	S	S	.	.	H	α-helix	trans	-64.5	-34	178.3	-68.5	-1.5	0	0	0	112.8	Q39 I40 R47	Q39-N43 PolarHBondContact O-N 3.32Å; Q39-N43 PolarHBondContact O-OD1 3.09Å; I40-N43 PolarHBondContact O-N 3.38Å; N43-R47 PolarHBondContact O-N 3.37Å
44	M	61.7	Low	62.4	Low	112 Å²	112	113.8 Å²	113.8	55%	0.552	51%	0.514	S	S	*	.	H	α-helix	trans	-66.9	-44.3	173	-70.2	-77.6	-77.6	0	0	112	I40 R41 F42 Q46 R47 R48	I40-M44 HydrophobicContact CG2-CG 4.42Å; I40-M44 VanDerWaalsContact O-CG 3.22Å; I40-M44 WeakPolarHBondContact O-CG 3.34Å; I40-M44 PolarHBondContact O-N 3.41Å; R41-M44 PolarHBondContact O-N 3.49Å; F42-M44 VanDerWaalsContact C-N 3.32Å; F42-M44 PolarHBondContact O-N 3.26Å; M44-Q46 VanDerWaalsContact C-N 3.35Å; M44-R47 PolarHBondContact O-N 3.1Å; M44-R47 PolarHBondContact SD-NH2 3.18Å; M44-R48 PolarHBondContact O-N 3.06Å
45	E	61.9	Low	63.3	Low	63 Å²	63	112.8 Å²	112.8	29%	0.294	51%	0.509	S	S	.	.	H	α-helix	trans	-66.4	-34.3	177.4	-178.8	65.1	-152.6	0	0	112.1	R41 F42 R48 R49	R41-E45 WeakPolarHBondContact O-CB 3.39Å; R41-E45 PolarHBondContact O-N 3.05Å; F42-E45 PolarHBondContact O-N 3.17Å; E45-R48 IonicContact OE1-CZ 3.73Å; E45-R48 IonicContact OE1-NH1 2.66Å; E45-R48 IonicContact OE1-NH2 3.7Å; E45-R48 PolarHBondContact OE1-NH2 3.24Å; E45-R48 IonicContact OE2-CZ 3.12Å; E45-R48 IonicContact OE2-NH1 3.38Å; E45-R48 PolarHBondContact OE2-NH1 3.24Å; E45-R48 IonicContact OE2-NH2 2.9Å; E45-R49 WeakPolarHBondContact O-CD 3.46Å; E45-R49 VanDerWaalsContact O-CG 3.3Å; E45-R49 WeakPolarHBondContact O-CG 3.31Å; E45-R49 PolarHBondContact O-N 3.38Å; E45-R49 IonicContact OE1-CZ 3.43Å; E45-R49 IonicContact OE1-NE 3.93Å; E45-R49 PolarHBondContact OE1-NE 3.5Å; E45-R49 IonicContact OE1-NH2 2.9Å; E45-R49 PolarHBondContact OE1-NH2 3.35Å
46	Q	62.3	Low	63.7	Low	66 Å²	66	112.3 Å²	112.3	31%	0.308	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-50.4	171.1	-67.3	-60.7	-18	0	0	111.5	F42 M44 R48 R49 E50	F42-Q46 HydrophobicContact CD1-CG 4.08Å; F42-Q46 HydrophobicContact CE1-CG 3.76Å; F42-Q46 HydrophobicContact CZ-CG 4.12Å; F42-Q46 WeakPolarHBondContact O-CG 3.45Å; F42-Q46 PolarHBondContact O-N 2.9Å; M44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-R48 VanDerWaalsContact C-N 3.29Å; Q46-R48 PolarHBondContact O-N 3.02Å; Q46-R49 WeakPolarHBondContact O-CA 3.28Å; Q46-R49 WeakPolarHBondContact O-CB 3.45Å; Q46-R49 PolarHBondContact O-N 3.45Å; Q46-E50 WeakPolarHBondContact O-CG 3.28Å; Q46-E50 PolarHBondContact O-N 2.94Å
47	R	66.6	Low	64.2	Low	134 Å²	134	111.8 Å²	111.8	51%	0.506	50%	0.499	S	S	.	.	H	α-helix	trans	-59.7	-37	178.9	-75.7	-167.1	-60.7	-152.2	4.9	113.1	N43 M44 R49 E50 Q51	N43-R47 PolarHBondContact O-N 3.37Å; M44-R47 PolarHBondContact O-N 3.1Å; M44-R47 PolarHBondContact SD-NH2 3.18Å; R47-R49 VanDerWaalsContact C-N 3.31Å; R47-R49 PolarHBondContact O-N 3.41Å; R47-E50 PolarHBondContact O-N 3.17Å; R47-Q51 WeakPolarHBondContact O-CB 3.39Å; R47-Q51 PolarHBondContact O-N 2.92Å
48	R	61.6	Low	64.5	Low	118 Å²	118	112 Å²	112	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-61.7	-40.3	173.8	-157.8	-168.4	71.6	-109.4	-18.8	111.4	M44 E45 Q46 Q51 E52	M44-R48 PolarHBondContact O-N 3.06Å; E45-R48 IonicContact OE1-CZ 3.73Å; E45-R48 IonicContact OE1-NH1 2.66Å; E45-R48 IonicContact OE1-NH2 3.7Å; E45-R48 PolarHBondContact OE1-NH2 3.24Å; E45-R48 IonicContact OE2-CZ 3.12Å; E45-R48 IonicContact OE2-NH1 3.38Å; E45-R48 PolarHBondContact OE2-NH1 3.24Å; E45-R48 IonicContact OE2-NH2 2.9Å; Q46-R48 VanDerWaalsContact C-N 3.29Å; Q46-R48 PolarHBondContact O-N 3.02Å; R48-Q51 PolarHBondContact O-N 3.14Å; R48-E52 IonicContact CZ-OE1 3.61Å; R48-E52 IonicContact NE-OE1 3.5Å; R48-E52 PolarHBondContact NE-OE1 2.71Å; R48-E52 IonicContact NH2-OE1 3.57Å; R48-E52 PolarHBondContact NH2-OE1 2.96Å; R48-E52 VanDerWaalsContact NH2-OE1 3.13Å; R48-E52 VanDerWaalsContact O-CB 3.31Å; R48-E52 WeakPolarHBondContact O-CB 3.35Å; R48-E52 VanDerWaalsContact O-CG 3.23Å; R48-E52 WeakPolarHBondContact O-CG 3.47Å; R48-E52 PolarHBondContact O-N 3.44Å
49	R	64.4	Low	65.1	Low	130 Å²	130	109.3 Å²	109.3	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-69.2	-36.2	176.8	-66.9	166.2	-172.6	-148.9	-1.1	113.1	E45 Q46 R47 H53	E45-R49 WeakPolarHBondContact O-CD 3.46Å; E45-R49 VanDerWaalsContact O-CG 3.3Å; E45-R49 WeakPolarHBondContact O-CG 3.31Å; E45-R49 PolarHBondContact O-N 3.38Å; E45-R49 IonicContact OE1-CZ 3.43Å; E45-R49 IonicContact OE1-NE 3.93Å; E45-R49 PolarHBondContact OE1-NE 3.5Å; E45-R49 IonicContact OE1-NH2 2.9Å; E45-R49 PolarHBondContact OE1-NH2 3.35Å; Q46-R49 WeakPolarHBondContact O-CA 3.28Å; Q46-R49 WeakPolarHBondContact O-CB 3.45Å; Q46-R49 PolarHBondContact O-N 3.45Å; R47-R49 VanDerWaalsContact C-N 3.31Å; R47-R49 PolarHBondContact O-N 3.41Å; R49-H53 VanDerWaalsContact O-CB 3.3Å; R49-H53 WeakPolarHBondContact O-CB 3.02Å; R49-H53 PolarHBondContact O-N 3.31Å
50	E	66.3	Low	65.2	Low	122 Å²	122	106 Å²	106	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-65	-41.7	173.5	-68.7	170.6	155.3	0	0	110.8	Q46 R47 H53 H54	Q46-E50 WeakPolarHBondContact O-CG 3.28Å; Q46-E50 PolarHBondContact O-N 2.94Å; R47-E50 PolarHBondContact O-N 3.17Å; E50-H53 WeakPolarHBondContact O-CB 3.37Å; E50-H53 PolarHBondContact O-N 2.6Å; E50-H54 PolarHBondContact O-N 2.91Å
51	Q	66.2	Low	65.3	Low	120 Å²	120	106.4 Å²	106.4	56%	0.561	47%	0.474	S	S	*	.	H	α-helix	trans	-67.9	-48	176.2	-168.2	167.7	-4.3	0	0	112	R47 R48 H53 H54 E55	R47-Q51 WeakPolarHBondContact O-CB 3.39Å; R47-Q51 PolarHBondContact O-N 2.92Å; R48-Q51 PolarHBondContact O-N 3.14Å; Q51-H53 PolarHBondContact O-N 3.07Å; Q51-H53 VanDerWaalsContact O-N 3.1Å; Q51-H54 PolarHBondContact O-N 2.98Å; Q51-E55 WeakPolarHBondContact O-CG 3.47Å; Q51-E55 PolarHBondContact O-N 2.84Å
52	E	66.5	Low	65.9	Low	65 Å²	65	104.1 Å²	104.1	30%	0.304	47%	0.471	S	S	.	.	H	α-helix	trans	-57	-22.6	170.7	-77.5	175.6	-135.2	0	0	113.2	R48 K56	R48-E52 IonicContact CZ-OE1 3.61Å; R48-E52 IonicContact NE-OE1 3.5Å; R48-E52 PolarHBondContact NE-OE1 2.71Å; R48-E52 IonicContact NH2-OE1 3.57Å; R48-E52 PolarHBondContact NH2-OE1 2.96Å; R48-E52 VanDerWaalsContact NH2-OE1 3.13Å; R48-E52 VanDerWaalsContact O-CB 3.31Å; R48-E52 WeakPolarHBondContact O-CB 3.35Å; R48-E52 VanDerWaalsContact O-CG 3.23Å; R48-E52 WeakPolarHBondContact O-CG 3.47Å; R48-E52 PolarHBondContact O-N 3.44Å; E52-K56 VanDerWaalsContact O-CD 3.31Å; E52-K56 WeakPolarHBondContact O-CD 3.28Å; E52-K56 VanDerWaalsContact O-CG 3.22Å; E52-K56 WeakPolarHBondContact O-CG 2.98Å; E52-K56 PolarHBondContact O-NZ 3.06Å
53	H	69.8	Low	65.7	Low	129 Å²	129	102.3 Å²	102.3	60%	0.597	47%	0.467	S	S	*	.	H	α-helix	trans	-88.7	-35.3	174.8	-174.7	-73.6	0	0	0	111.5	R49 E50 Q51 H57	R49-H53 VanDerWaalsContact O-CB 3.3Å; R49-H53 WeakPolarHBondContact O-CB 3.02Å; R49-H53 PolarHBondContact O-N 3.31Å; E50-H53 WeakPolarHBondContact O-CB 3.37Å; E50-H53 PolarHBondContact O-N 2.6Å; Q51-H53 PolarHBondContact O-N 3.07Å; Q51-H53 VanDerWaalsContact O-N 3.1Å; H53-H57 WeakPolarHBondContact O-CB 3.45Å; H53-H57 PolarHBondContact O-N 2.83Å
54	H	67.3	Low	65.4	Low	129 Å²	129	105.2 Å²	105.2	60%	0.597	48%	0.479	S	S	*	.	H	α-helix	trans	-66.6	-44.6	176.4	-138.2	95.2	0	0	0	111.5	E50 Q51 K56 H57 Q58	E50-H54 PolarHBondContact O-N 2.91Å; Q51-H54 PolarHBondContact O-N 2.98Å; H54-K56 PolarHBondContact O-N 2.8Å; H54-H57 WeakPolarHBondContact O-CB 3.37Å; H54-H57 PolarHBondContact O-N 2.67Å; H54-Q58 PolarHBondContact O-N 3.22Å
55	E	70.2	Confident	65.6	Low	109 Å²	109	107.8 Å²	107.8	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-58.2	-48.5	174.9	-70.9	167	179	0	0	111.2	Q51 H57 Q58 E59	Q51-E55 WeakPolarHBondContact O-CG 3.47Å; Q51-E55 PolarHBondContact O-N 2.84Å; E55-H57 PolarHBondContact O-N 2.93Å; E55-Q58 PolarHBondContact O-N 2.6Å; E55-E59 PolarHBondContact O-N 2.94Å
56	K	67.6	Low	65.7	Low	117 Å²	117	109.7 Å²	109.7	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-61.5	-28.3	174.4	-71.2	177.6	-168.5	103.4	0	113.1	E52 H54 L60	E52-K56 VanDerWaalsContact O-CD 3.31Å; E52-K56 WeakPolarHBondContact O-CD 3.28Å; E52-K56 VanDerWaalsContact O-CG 3.22Å; E52-K56 WeakPolarHBondContact O-CG 2.98Å; E52-K56 PolarHBondContact O-NZ 3.06Å; H54-K56 PolarHBondContact O-N 2.8Å; K56-L60 WeakPolarHBondContact O-CB 3.47Å; K56-L60 PolarHBondContact O-N 2.85Å; K56-L60 VanDerWaalsContact O-N 3.11Å
57	H	67.8	Low	65.6	Low	95 Å²	95	111.6 Å²	111.6	44%	0.44	51%	0.509	S	S	.	.	H	α-helix	trans	-78.1	-36.7	176.9	-156.4	-15.9	0	0	0	112.1	H53 H54 E55 L60 Q61	H53-H57 WeakPolarHBondContact O-CB 3.45Å; H53-H57 PolarHBondContact O-N 2.83Å; H54-H57 WeakPolarHBondContact O-CB 3.37Å; H54-H57 PolarHBondContact O-N 2.67Å; E55-H57 PolarHBondContact O-N 2.93Å; H57-L60 PolarHBondContact O-N 3.24Å; H57-Q61 WeakPolarHBondContact O-CG 3.37Å; H57-Q61 PolarHBondContact O-N 3.22Å
58	Q	67.9	Low	65.1	Low	103 Å²	103	116.7 Å²	116.7	48%	0.481	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-44.2	170.3	-81.2	-173.7	-30.8	0	0	111.8	H54 E55 L60 Q61 Q62	H54-Q58 PolarHBondContact O-N 3.22Å; E55-Q58 PolarHBondContact O-N 2.6Å; Q58-L60 VanDerWaalsContact C-N 3.26Å; Q58-L60 PolarHBondContact O-N 2.89Å; Q58-Q61 PolarHBondContact O-N 3.05Å; Q58-Q61 VanDerWaalsContact O-N 3.09Å; Q58-Q62 WeakPolarHBondContact O-CG 3.3Å; Q58-Q62 PolarHBondContact O-N 3.42Å
59	E	67.1	Low	65	Low	88 Å²	88	115.2 Å²	115.2	41%	0.411	54%	0.536	S	S	.	.	H	α-helix	trans	-57.1	-42.1	174.1	-170.8	-173.4	-167.2	0	0	110.8	E55 Q62 L63	E55-E59 PolarHBondContact O-N 2.94Å; E59-Q62 PolarHBondContact O-N 3.19Å; E59-L63 HydrophobicContact CG-CD1 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.31Å; E59-L63 VanDerWaalsContact O-CG 3.31Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 3.21Å
60	L	61.7	Low	64.8	Low	49 Å²	49	114.6 Å²	114.6	26%	0.257	54%	0.539	S	S	.	.	H	α-helix	trans	-64.3	-38.5	175	-170.5	70.3	0	0	0	112.9	K56 H57 Q58 L63 M64 V78	K56-L60 WeakPolarHBondContact O-CB 3.47Å; K56-L60 PolarHBondContact O-N 2.85Å; K56-L60 VanDerWaalsContact O-N 3.11Å; H57-L60 PolarHBondContact O-N 3.24Å; Q58-L60 VanDerWaalsContact C-N 3.26Å; Q58-L60 PolarHBondContact O-N 2.89Å; L60-L63 PolarHBondContact O-N 2.8Å; L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.24Å; L60-M64 VanDerWaalsContact O-N 3.07Å; L60-V78 HydrophobicContact CD1-CG1 4.39Å
61	Q	65.9	Low	63.9	Low	96 Å²	96	117.8 Å²	117.8	45%	0.449	55%	0.554	S	S	.	*	H	α-helix	trans	-67.9	-43.4	175.5	-76	174.6	-15.2	0	0	111.7	H57 Q58 L63 M64 H65	H57-Q61 WeakPolarHBondContact O-CG 3.37Å; H57-Q61 PolarHBondContact O-N 3.22Å; Q58-Q61 PolarHBondContact O-N 3.05Å; Q58-Q61 VanDerWaalsContact O-N 3.09Å; Q61-L63 VanDerWaalsContact C-N 3.25Å; Q61-L63 PolarHBondContact O-N 3.21Å; Q61-M64 WeakPolarHBondContact O-CB 3Å; Q61-M64 PolarHBondContact O-N 3.49Å; Q61-H65 PolarHBondContact O-CD2 3.22Å; Q61-H65 VanDerWaalsContact O-CD2 3.25Å; Q61-H65 PolarHBondContact O-N 2.9Å
62	Q	67.3	Low	63.5	Low	141 Å²	141	116.3 Å²	116.3	66%	0.659	56%	0.556	S	S	*	*	H	α-helix	trans	-60.7	-35.8	175	-68.9	174.5	13.3	0	0	111.8	Q58 E59	Q58-Q62 WeakPolarHBondContact O-CG 3.3Å; Q58-Q62 PolarHBondContact O-N 3.42Å; E59-Q62 PolarHBondContact O-N 3.19Å
63	L	62.8	Low	62.9	Low	79 Å²	79	118.5 Å²	118.5	41%	0.414	59%	0.586	S	S	.	*	H	α-helix	trans	-70.8	-25.9	172	-71.9	170.5	0	0	0	113.8	E59 L60 Q61	E59-L63 HydrophobicContact CG-CD1 4.46Å; E59-L63 WeakPolarHBondContact O-CB 3.31Å; E59-L63 VanDerWaalsContact O-CG 3.31Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 3.21Å; L60-L63 PolarHBondContact O-N 2.8Å; Q61-L63 VanDerWaalsContact C-N 3.25Å; Q61-L63 PolarHBondContact O-N 3.21Å
64	M	61	Low	62.5	Low	145 Å²	145	117.2 Å²	117.2	71%	0.714	59%	0.587	S	S	*	*	H	α-helix	trans	-79.4	-29.6	176.2	-77.5	178.6	59.5	0	0	113.5	L60 Q61	L60-M64 WeakPolarHBondContact O-CG 3.48Å; L60-M64 PolarHBondContact O-N 3.24Å; L60-M64 VanDerWaalsContact O-N 3.07Å; Q61-M64 WeakPolarHBondContact O-CB 3Å; Q61-M64 PolarHBondContact O-N 3.49Å
65	H	65	Low	62.3	Low	165 Å²	165	113.7 Å²	113.7	76%	0.764	58%	0.58	S	S	*	*	S	Bend	trans	-92.9	12.3	179.7	-69.3	-72.3	0	0	0	114	Q61	Q61-H65 PolarHBondContact O-CD2 3.22Å; Q61-H65 VanDerWaalsContact O-CD2 3.25Å; Q61-H65 PolarHBondContact O-N 2.9Å
66	K	64.4	Low	62.2	Low	104 Å²	104	110.3 Å²	110.3	45%	0.452	57%	0.568	S	S	.	*			trans	-81	123.7	178.8	-171.3	178.5	173.6	82.1	0	111.2	Q70	K66-Q70 VanDerWaalsContact CE-O 3.25Å; K66-Q70 WeakPolarHBondContact CE-O 3.38Å; K66-Q70 HydrophobicContact CG-CB 4.39Å
67	D	60.6	Low	62.3	Low	105 Å²	105	108.2 Å²	108.2	56%	0.561	57%	0.569	S	S	*	*			trans	-66.2	150.1	-177.4	179.7	40.2	0	0	0	114	S69 Q70	D67-S69 PolarHBondContact O-N 2.84Å; D67-S69 VanDerWaalsContact OD2-CB 3.23Å; D67-S69 WeakPolarHBondContact OD2-CB 3.49Å; D67-S69 PolarHBondContact OD2-N 2.6Å; D67-S69 PolarHBondContact OD2-OG 3.37Å; D67-Q70 PolarHBondContact O-N 3.05Å; D67-Q70 VanDerWaalsContact O-N 3.13Å
68	R	56.6	Low	62.4	Low	241 Å²	241	105.4 Å²	105.4	91%	0.909	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-23.2	-179.4	-92.7	-177.7	167.3	178.1	-3.2	113.9	Q70	R68-Q70 VanDerWaalsContact C-N 3.27Å; R68-Q70 PolarHBondContact O-N 3.02Å
69	S	59.1	Low	62.4	Low	87 Å²	87	104.3 Å²	104.3	61%	0.608	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-30.8	174.7	60.1	0	0	0	0	113.1	D67 Q71	D67-S69 PolarHBondContact O-N 2.84Å; D67-S69 VanDerWaalsContact OD2-CB 3.23Å; D67-S69 WeakPolarHBondContact OD2-CB 3.49Å; D67-S69 PolarHBondContact OD2-N 2.6Å; D67-S69 PolarHBondContact OD2-OG 3.37Å; S69-Q71 PolarHBondContact O-N 3.34Å; S69-Q71 VanDerWaalsContact O-N 3.15Å
70	Q	60.4	Low	62.7	Low	117 Å²	117	105.3 Å²	105.3	55%	0.547	56%	0.561	S	S	.	*	S	Bend	trans	-92.3	69.9	-172.5	-63	-167.5	6.8	0	0	112.9	K66 D67 R68 S72	K66-Q70 VanDerWaalsContact CE-O 3.25Å; K66-Q70 WeakPolarHBondContact CE-O 3.38Å; K66-Q70 HydrophobicContact CG-CB 4.39Å; D67-Q70 PolarHBondContact O-N 3.05Å; D67-Q70 VanDerWaalsContact O-N 3.13Å; R68-Q70 VanDerWaalsContact C-N 3.27Å; R68-Q70 PolarHBondContact O-N 3.02Å; Q70-S72 PolarHBondContact O-N 3.07Å
71	Q	47.7	Very low	63.2	Low	190 Å²	190	109.5 Å²	109.5	89%	0.888	58%	0.58	S	S	*	*			trans	-60.2	126	175.6	-63.7	-168.9	12.7	0	0	112.2	S69	S69-Q71 PolarHBondContact O-N 3.34Å; S69-Q71 VanDerWaalsContact O-N 3.15Å
72	S	56.2	Low	63.6	Low	88 Å²	88	110.5 Å²	110.5	62%	0.615	58%	0.582	S	S	*	*			trans	-117.8	119.5	160.2	177.9	0	0	0	0	108.6	Q70 V74	Q70-S72 PolarHBondContact O-N 3.07Å; S72-V74 PolarHBondContact O-N 3.01Å; S72-V74 VanDerWaalsContact O-N 3.1Å
73	A	54.6	Low	63.9	Low	112 Å²	112	108.9 Å²	108.9	93%	0.926	58%	0.577	S	S	*	*	S	Bend	trans	-71.7	2.2	-178.8	0	0	0	0	0	113.9
74	V	61.9	Low	64.5	Low	102 Å²	102	111.2 Å²	111.2	62%	0.618	59%	0.587	S	S	*	*	S	Bend	trans	-121.4	107.5	-176.6	-174.5	0	0	0	0	110.5	S72 S76	S72-V74 PolarHBondContact O-N 3.01Å; S72-V74 VanDerWaalsContact O-N 3.1Å; V74-S76 PolarHBondContact O-N 3.29Å
75	A	61.8	Low	65.4	Low	54 Å²	54	108.7 Å²	108.7	45%	0.446	57%	0.573	S	S	.	*			trans	-57.4	135.5	173.6	0	0	0	0	0	111.5	V79 K80	A75-V79 HydrophobicContact CB-CG1 4.42Å; A75-K80 WeakPolarHBondContact O-CE 3.5Å; A75-K80 PolarHBondContact O-NZ 3.08Å
76	S	69.5	Low	66.2	Low	38 Å²	38	105.1 Å²	105.1	27%	0.266	56%	0.562	S	S	.	*			trans	-65.2	160.6	-175.2	73.1	0	0	0	0	113	V74 V78 V79 K80	V74-S76 PolarHBondContact O-N 3.29Å; S76-V78 VanDerWaalsContact C-N 3.28Å; S76-V78 PolarHBondContact O-N 2.79Å; S76-V79 PolarHBondContact O-N 2.74Å; S76-V79 WeakPolarHBondContact OG-CG2 3.44Å; S76-V79 PolarHBondContact OG-N 2.81Å; S76-K80 WeakPolarHBondContact O-CG 3.13Å; S76-K80 PolarHBondContact O-N 2.9Å
77	S	69.6	Low	67	Low	74 Å²	74	104 Å²	104	52%	0.517	56%	0.561	S	S	.	*	H	α-helix	trans	-55.7	-42.8	175.3	50.4	0	0	0	0	112	K80 Q81	S77-K80 PolarHBondContact O-N 3.17Å; S77-Q81 WeakPolarHBondContact O-CB 3.22Å; S77-Q81 WeakPolarHBondContact O-CG 3.27Å; S77-Q81 PolarHBondContact O-N 2.89Å
78	V	68.8	Low	67.9	Low	36 Å²	36	103.9 Å²	103.9	22%	0.218	56%	0.559	C	S	.	*	H	α-helix	trans	-62.6	-43.3	178.5	-177.1	0	0	0	0	111.7	L60 S76 Q81 K82	L60-V78 HydrophobicContact CD1-CG1 4.39Å; S76-V78 VanDerWaalsContact C-N 3.28Å; S76-V78 PolarHBondContact O-N 2.79Å; V78-Q81 PolarHBondContact O-N 3.31Å; V78-K82 PolarHBondContact O-N 2.97Å
79	V	68	Low	69	Low	80 Å²	80	98.4 Å²	98.4	49%	0.485	54%	0.542	S	S	.	.	H	α-helix	trans	-65.3	-43	176.3	171.3	0	0	0	0	110.9	A75 S76 Q81 K82 L83	A75-V79 HydrophobicContact CB-CG1 4.42Å; S76-V79 PolarHBondContact O-N 2.74Å; S76-V79 WeakPolarHBondContact OG-CG2 3.44Å; S76-V79 PolarHBondContact OG-N 2.81Å; V79-Q81 PolarHBondContact O-N 2.84Å; V79-K82 PolarHBondContact O-N 2.97Å; V79-L83 VanDerWaalsContact O-CB 3.3Å; V79-L83 WeakPolarHBondContact O-CB 3.31Å; V79-L83 PolarHBondContact O-N 2.75Å
80	K	74.1	Confident	69.8	Low	109 Å²	109	101.9 Å²	101.9	47%	0.474	55%	0.546	S	S	.	.	H	α-helix	trans	-61.3	-43	175.3	-74.1	162.9	173.3	153.6	0	112	A75 S76 S77 L83 Q84	A75-K80 WeakPolarHBondContact O-CE 3.5Å; A75-K80 PolarHBondContact O-NZ 3.08Å; S76-K80 WeakPolarHBondContact O-CG 3.13Å; S76-K80 PolarHBondContact O-N 2.9Å; S77-K80 PolarHBondContact O-N 3.17Å; K80-L83 PolarHBondContact O-N 3.42Å; K80-Q84 WeakPolarHBondContact O-CB 3.29Å; K80-Q84 PolarHBondContact O-N 3.16Å
81	Q	72.1	Confident	70.5	Confident	137 Å²	137	102.2 Å²	102.2	64%	0.64	55%	0.548	S	S	*	.	H	α-helix	trans	-64.3	-48.6	176.6	-75.7	179.2	-1.3	0	0	112.3	S77 V78 V79 L83 Q84 E85	S77-Q81 WeakPolarHBondContact O-CB 3.22Å; S77-Q81 WeakPolarHBondContact O-CG 3.27Å; S77-Q81 PolarHBondContact O-N 2.89Å; V78-Q81 PolarHBondContact O-N 3.31Å; V79-Q81 PolarHBondContact O-N 2.84Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 2.89Å; Q81-Q84 PolarHBondContact O-N 3.46Å; Q81-E85 PolarHBondContact O-N 3.14Å
82	K	74.3	Confident	71.7	Confident	117 Å²	117	101.1 Å²	101.1	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-39.6	176	-86.7	-167.2	172.5	-178.8	0	112.5	V78 V79 Q84 E85 V86	V78-K82 PolarHBondContact O-N 2.97Å; V79-K82 PolarHBondContact O-N 2.97Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; K82-Q84 PolarHBondContact O-N 3.43Å; K82-E85 PolarHBondContact O-N 2.86Å; K82-V86 WeakPolarHBondContact O-CG2 3.43Å; K82-V86 PolarHBondContact O-N 3.31Å
83	L	73	Confident	72.5	Confident	106 Å²	106	102.5 Å²	102.5	56%	0.555	54%	0.537	S	S	*	.	H	α-helix	trans	-61.4	-43.3	175.4	-177.7	61.4	0	0	0	111.3	V79 K80 Q81 V86 I87	V79-L83 VanDerWaalsContact O-CB 3.3Å; V79-L83 WeakPolarHBondContact O-CB 3.31Å; V79-L83 PolarHBondContact O-N 2.75Å; K80-L83 PolarHBondContact O-N 3.42Å; Q81-L83 VanDerWaalsContact C-N 3.35Å; Q81-L83 PolarHBondContact O-N 2.89Å; L83-V86 PolarHBondContact O-N 2.77Å; L83-I87 HydrophobicContact CD1-CD1 4.38Å; L83-I87 HydrophobicContact CG-CD1 4.06Å; L83-I87 VanDerWaalsContact O-CG1 3.26Å; L83-I87 WeakPolarHBondContact O-CG1 3.39Å; L83-I87 PolarHBondContact O-N 2.92Å
84	Q	75.3	Confident	73.1	Confident	129 Å²	129	98.7 Å²	98.7	60%	0.603	51%	0.506	S	S	*	.	H	α-helix	trans	-68	-35.2	176.8	-169.6	163.4	-4	0	0	112.7	K80 Q81 K82 I87 L88	K80-Q84 WeakPolarHBondContact O-CB 3.29Å; K80-Q84 PolarHBondContact O-N 3.16Å; Q81-Q84 PolarHBondContact O-N 3.46Å; K82-Q84 VanDerWaalsContact C-N 3.34Å; K82-Q84 PolarHBondContact O-N 3.43Å; Q84-I87 PolarHBondContact O-N 2.93Å; Q84-L88 HydrophobicContact CG-CD1 4.45Å; Q84-L88 WeakPolarHBondContact O-CB 3.43Å; Q84-L88 WeakPolarHBondContact O-CG 3.2Å; Q84-L88 PolarHBondContact O-N 3.48Å
85	E	80.6	Confident	73.2	Confident	92 Å²	92	96.3 Å²	96.3	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-40.7	172.9	-159	-155.6	154.8	0	0	112	Q81 K82 L88 K89	Q81-E85 PolarHBondContact O-N 3.14Å; K82-E85 PolarHBondContact O-N 2.86Å; E85-L88 PolarHBondContact O-N 3.22Å; E85-K89 PolarHBondContact O-N 3.29Å; E85-K89 WeakPolarHBondContact OE1-CE 3.45Å; E85-K89 IonicContact OE1-NZ 3.64Å; E85-K89 PolarHBondContact OE1-NZ 3.47Å
86	V	81.9	Confident	73.2	Confident	89 Å²	89	99.4 Å²	99.4	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-65.4	-41.3	174.4	169	0	0	0	0	111.2	K82 L83 K89 K90	K82-V86 WeakPolarHBondContact O-CG2 3.43Å; K82-V86 PolarHBondContact O-N 3.31Å; L83-V86 PolarHBondContact O-N 2.77Å; V86-K89 PolarHBondContact O-N 3.41Å; V86-K90 WeakPolarHBondContact O-CB 3.3Å; V86-K90 PolarHBondContact O-N 3.19Å
87	I	82.1	Confident	72.7	Confident	82 Å²	82	103 Å²	103	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-44.9	173.9	-70.7	164	0	0	0	110.6	L83 Q84 K90 Q91	L83-I87 HydrophobicContact CD1-CD1 4.38Å; L83-I87 HydrophobicContact CG-CD1 4.06Å; L83-I87 VanDerWaalsContact O-CG1 3.26Å; L83-I87 WeakPolarHBondContact O-CG1 3.39Å; L83-I87 PolarHBondContact O-N 2.92Å; Q84-I87 PolarHBondContact O-N 2.93Å; I87-K90 PolarHBondContact O-N 2.72Å; I87-Q91 HydrophobicContact CG2-CG 4.48Å; I87-Q91 WeakPolarHBondContact O-CB 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.5Å; I87-Q91 PolarHBondContact O-N 3.26Å
88	L	78.8	Confident	72.1	Confident	101 Å²	101	109 Å²	109	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-42.4	176.4	-79.3	164.7	0	0	0	112.5	Q84 E85 Q91 K92	Q84-L88 HydrophobicContact CG-CD1 4.45Å; Q84-L88 WeakPolarHBondContact O-CB 3.43Å; Q84-L88 WeakPolarHBondContact O-CG 3.2Å; Q84-L88 PolarHBondContact O-N 3.48Å; E85-L88 PolarHBondContact O-N 3.22Å; L88-Q91 PolarHBondContact O-N 3.36Å; L88-K92 VanDerWaalsContact O-CB 3.3Å; L88-K92 WeakPolarHBondContact O-CB 3.33Å; L88-K92 PolarHBondContact O-N 3.42Å
89	K	79.8	Confident	71.5	Confident	127 Å²	127	112.3 Å²	112.3	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-60	-47.3	172.7	-84.3	169	170.1	155.5	0	111.4	E85 V86 Q91 K92 Q93	E85-K89 PolarHBondContact O-N 3.29Å; E85-K89 WeakPolarHBondContact OE1-CE 3.45Å; E85-K89 IonicContact OE1-NZ 3.64Å; E85-K89 PolarHBondContact OE1-NZ 3.47Å; V86-K89 PolarHBondContact O-N 3.41Å; K89-Q91 PolarHBondContact O-N 3.44Å; K89-K92 PolarHBondContact O-N 3.01Å; K89-Q93 WeakPolarHBondContact O-CB 3.44Å; K89-Q93 PolarHBondContact O-N 2.72Å
90	K	76.1	Confident	70.6	Confident	159 Å²	159	115.8 Å²	115.8	69%	0.691	57%	0.565	S	S	*	*	H	α-helix	trans	-65.5	-38.7	179.7	-166.4	169.8	-175.7	174.4	0	112.6	V86 I87 A94	V86-K90 WeakPolarHBondContact O-CB 3.3Å; V86-K90 PolarHBondContact O-N 3.19Å; I87-K90 PolarHBondContact O-N 2.72Å; K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.01Å
91	Q	74.1	Confident	69	Low	124 Å²	124	114.5 Å²	114.5	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-65.1	-43	172.1	-75.8	-178.3	-5.8	0	0	112.2	I87 L88 K89 Q93 A94 A95	I87-Q91 HydrophobicContact CG2-CG 4.48Å; I87-Q91 WeakPolarHBondContact O-CB 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.5Å; I87-Q91 PolarHBondContact O-N 3.26Å; L88-Q91 PolarHBondContact O-N 3.36Å; K89-Q91 PolarHBondContact O-N 3.44Å; Q91-Q93 VanDerWaalsContact C-N 3.34Å; Q91-Q93 PolarHBondContact O-N 2.88Å; Q91-A94 PolarHBondContact O-N 3.08Å; Q91-A95 WeakPolarHBondContact O-CB 3.44Å; Q91-A95 PolarHBondContact O-N 2.97Å
92	K	74.3	Confident	67.2	Low	167 Å²	167	115.9 Å²	115.9	73%	0.726	58%	0.582	S	S	*	*	H	α-helix	trans	-66	-36.3	178.2	-169.1	174	-176.8	179.6	0	112.1	L88 K89 A95 L96	L88-K92 VanDerWaalsContact O-CB 3.3Å; L88-K92 WeakPolarHBondContact O-CB 3.33Å; L88-K92 PolarHBondContact O-N 3.42Å; K89-K92 PolarHBondContact O-N 3.01Å; K92-A95 PolarHBondContact O-N 3.41Å; K92-L96 PolarHBondContact O-N 3.16Å
93	Q	71.3	Confident	65.2	Low	117 Å²	117	114.4 Å²	114.4	55%	0.547	59%	0.591	S	S	.	*	H	α-helix	trans	-69	-46.9	174.5	-178.1	167.3	-14.8	0	0	111.9	K89 Q91 A95 L96 E97	K89-Q93 WeakPolarHBondContact O-CB 3.44Å; K89-Q93 PolarHBondContact O-N 2.72Å; Q91-Q93 VanDerWaalsContact C-N 3.34Å; Q91-Q93 PolarHBondContact O-N 2.88Å; Q93-A95 PolarHBondContact O-N 3.23Å; Q93-L96 WeakPolarHBondContact O-CA 3.37Å; Q93-L96 WeakPolarHBondContact O-CB 3.36Å; Q93-L96 PolarHBondContact O-N 3.41Å; Q93-E97 VanDerWaalsContact CG-OE1 3.29Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.37Å; Q93-E97 PolarHBondContact NE2-OE1 3.27Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.17Å; Q93-E97 WeakPolarHBondContact O-CG 3.41Å; Q93-E97 PolarHBondContact O-N 3.34Å
94	A	67.5	Low	63.5	Low	33 Å²	33	117 Å²	117	27%	0.273	61%	0.605	S	S	.	*	H	α-helix	trans	-63.7	-22.4	174.2	0	0	0	0	0	113.7	K90 Q91 R98	K90-A94 WeakPolarHBondContact O-CB 3.42Å; K90-A94 PolarHBondContact O-N 3.01Å; Q91-A94 PolarHBondContact O-N 3.08Å; A94-R98 WeakPolarHBondContact O-CD 3.23Å; A94-R98 VanDerWaalsContact O-CG 3.31Å; A94-R98 WeakPolarHBondContact O-CG 3.43Å
95	A	64.2	Low	61.4	Low	51 Å²	51	118 Å²	118	42%	0.421	61%	0.614	S	S	.	*	H	α-helix	trans	-75.8	-39.8	168.8	0	0	0	0	0	112	Q91 K92 Q93 R98 T99	Q91-A95 WeakPolarHBondContact O-CB 3.44Å; Q91-A95 PolarHBondContact O-N 2.97Å; K92-A95 PolarHBondContact O-N 3.41Å; Q93-A95 PolarHBondContact O-N 3.23Å; A95-R98 PolarHBondContact O-N 3.02Å; A95-T99 PolarHBondContact O-N 3.05Å; A95-T99 PolarHBondContact O-OG1 2.87Å
96	L	62.3	Low	59.1	Low	119 Å²	119	118.4 Å²	118.4	62%	0.623	63%	0.633	S	S	*	*	H	α-helix	trans	-66.3	-41.2	178.5	-151.5	75.3	0	0	0	112	K92 Q93 R98 T99 N100	K92-L96 PolarHBondContact O-N 3.16Å; Q93-L96 WeakPolarHBondContact O-CA 3.37Å; Q93-L96 WeakPolarHBondContact O-CB 3.36Å; Q93-L96 PolarHBondContact O-N 3.41Å; L96-R98 VanDerWaalsContact C-N 3.29Å; L96-R98 PolarHBondContact O-N 3.3Å; L96-T99 WeakPolarHBondContact CA-OG1 3.48Å; L96-T99 PolarHBondContact O-N 2.84Å; L96-T99 VanDerWaalsContact O-N 3.07Å; L96-T99 PolarHBondContact O-OG1 3.02Å; L96-N100 PolarHBondContact O-N 3Å
97	E	58.9	Low	56.7	Low	113 Å²	113	123.2 Å²	123.2	53%	0.528	65%	0.65	S	S	.	*	H	α-helix	trans	-59.9	-38.1	175.5	-72.4	161.3	-176.4	0	0	111.5	Q93 T99	Q93-E97 VanDerWaalsContact CG-OE1 3.29Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.37Å; Q93-E97 PolarHBondContact NE2-OE1 3.27Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.17Å; Q93-E97 WeakPolarHBondContact O-CG 3.41Å; Q93-E97 PolarHBondContact O-N 3.34Å; E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.42Å
98	R	57.3	Low	55	Low	200 Å²	200	124.1 Å²	124.1	76%	0.755	66%	0.661	S	S	*	*	H	α-helix	trans	-71.5	-20.5	174.6	-70.4	171.4	-173.5	161.1	3.2	114.5	A94 A95 L96	A94-R98 WeakPolarHBondContact O-CD 3.23Å; A94-R98 VanDerWaalsContact O-CG 3.31Å; A94-R98 WeakPolarHBondContact O-CG 3.43Å; A95-R98 PolarHBondContact O-N 3.02Å; L96-R98 VanDerWaalsContact C-N 3.29Å; L96-R98 PolarHBondContact O-N 3.3Å
99	T	56	Low	52.8	Low	107 Å²	107	125.6 Å²	125.6	66%	0.656	67%	0.673	S	S	*	*	H	α-helix	trans	-87.1	-11.1	178.4	46.6	0	0	0	0	114.3	A95 L96 E97	A95-T99 PolarHBondContact O-N 3.05Å; A95-T99 PolarHBondContact O-OG1 2.87Å; L96-T99 WeakPolarHBondContact CA-OG1 3.48Å; L96-T99 PolarHBondContact O-N 2.84Å; L96-T99 VanDerWaalsContact O-N 3.07Å; L96-T99 PolarHBondContact O-OG1 3.02Å; E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.42Å
100	N	48.8	Very low	50.9	Low	153 Å²	153	125.4 Å²	125.4	82%	0.818	69%	0.685	S	S	*	*	S	Bend	trans	-107.5	8.6	-173.8	-113.6	8.1	0	0	0	114.5	L96	L96-N100 PolarHBondContact O-N 3Å
101	S	40.2	Very low	48.8	Very low	82 Å²	82	128 Å²	128	57%	0.573	69%	0.692	S	S	*	*			trans	-120.5	81.3	-175.7	65.2	0	0	0	0	113.5
102	N	34	Very low	46.7	Very low	166 Å²	166	134 Å²	134	89%	0.888	71%	0.71	S	S	*	*			trans	-112.9	94	150.5	-85.3	-31.6	0	0	0	106.3
103	A	33.7	Very low	44.7	Very low	85 Å²	85	134.7 Å²	134.7	70%	0.702	71%	0.713	S	S	*	*				85.2	111.2	74	0	0	0	0	0	112.5
104	L	35.7	Very low	42.8	Very low	161 Å²	161	137.6 Å²	137.6	84%	0.843	73%	0.731	S	S	*	*			trans	-167.4	149.2	145.4	-105.1	169.3	0	0	0	110.1
105	N	32.6	Very low	41.1	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	75%	0.75	S	S	*	*			trans	75.5	141.8	169.9	-62.4	-11.6	0	0	0	121.2
106	A	31.1	Very low	40.1	Very low	101 Å²	101	142.7 Å²	142.7	84%	0.835	77%	0.769	S	S	*	*			trans	88.6	131.6	169.1	0	0	0	0	0	119
107	H	31.9	Very low	39	Very low	190 Å²	190	144.2 Å²	144.2	88%	0.88	78%	0.778	S	S	*	*			trans	-110.2	171.4	-173.3	-90.7	-78	0	0	0	112
108	P	46.1	Very low	38.4	Very low	101 Å²	101	143.6 Å²	143.6	66%	0.656	78%	0.784	S	S	*	*			trans	-113	-176.5	-144.4	42	-37	0	0	0	117.5
109	V	32.9	Very low	37.1	Very low	131 Å²	131	140.7 Å²	140.7	79%	0.794	78%	0.783	S	S	*	*			trans	66	150.9	169.8	-111	0	0	0	0	115.3
110	P	39.7	Very low	36.1	Very low	123 Å²	123	141.9 Å²	141.9	80%	0.799	79%	0.79	S	S	*	*			cis	-131	167.2	17.5	42.6	-25.8	0	0	0	119.5
111	Y	31.4	Very low	36	Very low	215 Å²	215	140.3 Å²	140.3	84%	0.843	79%	0.788	S	S	*	*			trans	-66.4	149.4	168.8	-138	-102.6	0	0	0	111.7
112	R	30.6	Very low	35.5	Very low	249 Å²	249	141.4 Å²	141.4	94%	0.94	80%	0.802	S	S	*	*			trans	-140.6	148.5	154.5	-137	174.1	-167.5	173.7	4.5	112
113	K	32.2	Very low	35.6	Very low	182 Å²	182	141.3 Å²	141.3	79%	0.791	80%	0.796	S	S	*	*			trans	-128	140.3	-167.3	-179.3	-174.4	-177.5	-174.8	0	107.1
114	L	31.9	Very low	36.4	Very low	177 Å²	177	142.5 Å²	142.5	93%	0.927	80%	0.797	S	S	*	*			trans	-121	148.1	174.7	-75.1	173.6	0	0	0	111.2
115	G	32	Very low	36.3	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	79%	0.787	S	S	*	*			trans	-144.3	-178.3	179.3	0	0	0	0	0	109.7
116	P	42.7	Very low	36.2	Very low	126 Å²	126	140.1 Å²	140.1	82%	0.818	79%	0.789	S	S	*	*			trans	-93.9	153.1	-152.7	35.1	-37.4	0	0	0	117
117	D	39.3	Very low	36.4	Very low	150 Å²	150	139.1 Å²	139.1	80%	0.802	78%	0.776	S	S	*	*			trans	45.7	144.5	144.8	-115.4	-32.2	0	0	0	121.7
118	P	47.3	Very low	36.4	Very low	101 Å²	101	135.4 Å²	135.4	66%	0.656	77%	0.771	S	S	*	*				-155.8	176.5	76.6	41.1	-20.9	0	0	0	119.3
119	N	29.5	Very low	37	Very low	138 Å²	138	136 Å²	136	74%	0.738	78%	0.775	S	S	*	*			trans	86.9	106.8	158.9	-57	-36.5	0	0	0	118.5
120	V	33.8	Very low	38.2	Very low	133 Å²	133	135.6 Å²	135.6	81%	0.806	78%	0.775	S	S	*	*				77.4	132.8	61.4	170.8	0	0	0	0	112.4
121	P	48	Very low	38	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	78%	0.778	S	S	*	*			cis	-139.3	-176.9	29.6	38.5	-18	0	0	0	119.5
122	A	29.8	Very low	39.1	Very low	105 Å²	105	133.6 Å²	133.6	87%	0.868	77%	0.772	S	S	*	*			trans	111.1	144	153.1	0	0	0	0	0	118.9
123	Q	36.3	Very low	40.3	Very low	165 Å²	165	126.9 Å²	126.9	77%	0.771	76%	0.761	S	S	*	*			trans	-150.5	174.7	-167	-121.1	-165.6	49.7	0	0	109.1
124	P	48.7	Very low	40.4	Very low	109 Å²	109	122.9 Å²	122.9	71%	0.708	76%	0.756	S	S	*	*			cis	-152.6	165.3	49.7	39.9	-17.3	0	0	0	120.8
125	L	34.8	Very low	40.3	Very low	124 Å²	124	121.7 Å²	121.7	65%	0.649	75%	0.75	S	S	*	*			trans	27.7	149	142.6	-67.3	113.7	0	0	0	123	S127	L125-S127 WeakPolarHBondContact CD2-OG 3.46Å
126	V	31.1	Very low	40.2	Very low	138 Å²	138	121.2 Å²	121.2	84%	0.836	75%	0.746	S	S	*	*				-148.4	126.4	68.8	176.3	0	0	0	0	110.1
127	S	34.3	Very low	39.7	Very low	80 Å²	80	123.2 Å²	123.2	56%	0.559	75%	0.749	S	S	*	*				77.5	140	68.6	-45	0	0	0	0	116	L125	L125-S127 WeakPolarHBondContact CD2-OG 3.46Å
128	S	32.5	Very low	39.3	Very low	111 Å²	111	123.6 Å²	123.6	78%	0.776	75%	0.746	S	S	*	*			cis	-159.6	-131.7	-13.5	41.3	0	0	0	0	114.5
129	P	58.9	Low	38.5	Very low	113 Å²	113	121.1 Å²	121.1	73%	0.734	74%	0.739	S	S	*	*				-119.8	-161.4	-123	42.7	-22.6	0	0	0	114.7
130	P	56.6	Low	38.7	Very low	123 Å²	123	120.4 Å²	120.4	80%	0.799	74%	0.739	S	S	*	*			cis	-137.4	-165.4	3.5	43.4	-21.9	0	0	0	117.9
131	Q	36	Very low	39.7	Very low	186 Å²	186	119 Å²	119	87%	0.869	73%	0.733	S	S	*	*			trans	-105.2	-162.7	-179.9	-55.5	-171.4	-42.7	0	0	112.6
132	P	54.5	Low	38.9	Very low	110 Å²	110	120 Å²	120	71%	0.714	73%	0.731	S	S	*	*			cis	-136.6	-143.3	-4.4	45.3	-23.5	0	0	0	112.8
133	P	55.3	Low	39.1	Very low	109 Å²	109	125.7 Å²	125.7	71%	0.708	73%	0.73	S	S	*	*			cis	-139	178	-18.4	41.9	-23	0	0	0	118.5
134	S	35	Very low	39.1	Very low	98 Å²	98	129.4 Å²	129.4	69%	0.685	74%	0.737	S	S	*	*			trans	63.5	134.1	138.6	-86.8	0	0	0	0	128.1
135	D	30.8	Very low	38.4	Very low	151 Å²	151	128.6 Å²	128.6	81%	0.807	74%	0.739	S	S	*	*			trans	56.3	156.8	131.8	-56.5	-51.7	0	0	0	123.4
136	G	28.7	Very low	38.2	Very low	57 Å²	57	127.2 Å²	127.2	59%	0.588	75%	0.746	S	S	*	*			cis	158	155.4	-9.3	0	0	0	0	0	114.8
137	L	32.1	Very low	38.1	Very low	167 Å²	167	126.6 Å²	126.6	87%	0.874	75%	0.748	S	S	*	*			trans	64.5	165.2	170.5	-67.2	81.4	0	0	0	116.6
138	E	31.5	Very low	38.2	Very low	159 Å²	159	131.4 Å²	131.4	74%	0.743	76%	0.761	S	S	*	*			cis	-163.5	172.9	-28.9	-105	-73.4	80.4	0	0	106.6	T140	E138-T140 WeakPolarHBondContact OE2-CG2 3.45Å
139	G	30.6	Very low	39.6	Very low	49 Å²	49	130.6 Å²	130.6	51%	0.505	75%	0.753	S	S	.	*			cis	154	-179.9	-2.8	0	0	0	0	0	114.7
140	T	32.6	Very low	38.4	Very low	122 Å²	122	131.1 Å²	131.1	75%	0.748	75%	0.75	S	S	*	*			trans	76.9	172.7	156.3	80.8	0	0	0	0	119.6	E138	E138-T140 WeakPolarHBondContact OE2-CG2 3.45Å
141	P	55.1	Low	37.3	Very low	105 Å²	105	131.6 Å²	131.6	68%	0.682	75%	0.745	S	S	*	*				-141.4	-150	-84.3	44.6	-24.6	0	0	0	116
142	L	32	Very low	37.1	Very low	138 Å²	138	131.2 Å²	131.2	72%	0.723	74%	0.741	S	S	*	*			trans	89.7	142.8	171.5	-49	177.8	0	0	0	116.2
143	R	33.4	Very low	35.9	Very low	226 Å²	226	131.9 Å²	131.9	85%	0.853	74%	0.742	S	S	*	*			cis	-157.3	170.8	-9.7	-127.3	174.5	-173.1	155.6	3.2	110.9
144	R	37	Very low	34.7	Very low	243 Å²	243	135.7 Å²	135.7	92%	0.917	75%	0.748	S	S	*	*			trans	-92.5	170.3	169.9	-47	175.3	173.6	159.9	-4.3	110.4
145	A	32.5	Very low	34.5	Very low	91 Å²	91	140.3 Å²	140.3	75%	0.752	76%	0.758	S	S	*	*			cis	-161.7	160.9	9.7	0	0	0	0	0	114
146	A	31.3	Very low	34.4	Very low	96 Å²	96	142.4 Å²	142.4	79%	0.793	76%	0.76	S	S	*	*			trans	45.8	134	143.7	0	0	0	0	0	125.2
147	S	29.6	Very low	34.5	Very low	125 Å²	125	146.4 Å²	146.4	87%	0.874	77%	0.767	S	S	*	*				166.5	160.5	127	45.2	0	0	0	0	115.5
148	E	37	Very low	34.4	Very low	181 Å²	181	146.7 Å²	146.7	85%	0.846	76%	0.762	S	S	*	*			trans	-119.8	-158.2	163.8	-43.7	-176.9	141.2	0	0	108.9
149	P	61.8	Low	34.3	Very low	93 Å²	93	144.5 Å²	144.5	60%	0.604	76%	0.755	S	S	*	*			cis	-132	-175	-33.5	25.8	-3.5	0	0	0	114
150	N	32.5	Very low	34.1	Very low	125 Å²	125	149.8 Å²	149.8	67%	0.668	77%	0.766	S	S	*	*			trans	136.3	124.2	134.5	-76.7	-73.4	0	0	0	120.9
151	L	34.7	Very low	33.9	Very low	133 Å²	133	151.2 Å²	151.2	70%	0.696	77%	0.768	S	S	*	*			trans	61.7	160.7	130.7	-55.9	173.2	0	0	0	120.9
152	K	30.9	Very low	32.8	Very low	178 Å²	178	155.3 Å²	155.3	77%	0.774	78%	0.775	S	S	*	*			cis	-164.9	171.8	10	-135	159.2	-167.2	167.1	0	113.4
153	V	29.4	Very low	32.8	Very low	123 Å²	123	155.1 Å²	155.1	75%	0.745	78%	0.78	S	S	*	*			trans	93.1	93.6	158.3	-158.9	0	0	0	0	123
154	K	30	Very low	32.6	Very low	190 Å²	190	155.8 Å²	155.8	83%	0.826	78%	0.783	S	S	*	*				21.3	137.4	129.3	-55.2	175.2	-178.9	175.2	0	123.4
155	H	30.3	Very low	32.2	Very low	194 Å²	194	154.1 Å²	154.1	90%	0.898	78%	0.782	S	S	*	*				-148.7	173.3	117.7	-118.3	80.3	0	0	0	113.1
156	K	28.6	Very low	32.6	Very low	195 Å²	195	154.8 Å²	154.8	85%	0.848	78%	0.781	S	S	*	*			trans	-155.6	156.8	-171.9	-154.2	179.7	-170.5	-179	0	111.1
157	L	30.9	Very low	33.4	Very low	142 Å²	142	155.2 Å²	155.2	74%	0.743	78%	0.776	S	S	*	*			trans	120.3	113.7	142.1	-160.6	75.7	0	0	0	119.4
158	K	31.1	Very low	33.3	Very low	173 Å²	173	156.3 Å²	156.3	75%	0.752	77%	0.771	S	S	*	*			trans	65.3	162.1	149.5	-77.2	-178.7	172	179.8	0	119
159	N	28.8	Very low	33.1	Very low	112 Å²	112	153.8 Å²	153.8	60%	0.599	77%	0.768	S	S	*	*			cis	-150.2	177.4	7.2	-138.9	6.6	0	0	0	113.8
160	H	27.2	Very low	31.7	Very low	161 Å²	161	158.9 Å²	158.9	75%	0.745	78%	0.775	S	S	*	*			trans	70.2	122.9	175	-61.9	-78.2	0	0	0	116.6
161	L	28	Very low	31.5	Very low	151 Å²	151	160.3 Å²	160.3	79%	0.791	78%	0.776	S	S	*	*			cis	82.8	90	7.2	-160	83	0	0	0	118.9
162	K	31.7	Very low	31.3	Very low	191 Å²	191	160.7 Å²	160.7	83%	0.83	77%	0.774	S	S	*	*			trans	171.4	143.7	135.5	-91.4	160.5	-176.2	-178.3	0	107.1
163	T	31	Very low	31.4	Very low	135 Å²	135	157.9 Å²	157.9	83%	0.828	78%	0.777	S	S	*	*			cis	-144.4	154.2	10.6	-6.5	0	0	0	0	110.8
164	R	30.8	Very low	31.4	Very low	240 Å²	240	156.3 Å²	156.3	91%	0.906	78%	0.776	S	S	*	*			trans	-87.6	151.9	166.4	-68.7	178.9	174.3	176.9	-2.9	110.6
165	K	28.6	Very low	32.7	Very low	207 Å²	207	152.8 Å²	152.8	90%	0.9	77%	0.773	S	S	*	*				-178.5	126.7	122.2	-102.6	175.6	-178	-174.9	0	113.7
166	S	40.4	Very low	33.5	Very low	106 Å²	106	149.1 Å²	149.1	74%	0.741	77%	0.767	S	S	*	*			trans	-113.7	-177	131.4	69.2	0	0	0	0	106.2
167	P	47.5	Very low	33.7	Very low	104 Å²	104	145.5 Å²	145.5	68%	0.675	76%	0.761	S	S	*	*			cis	-135.8	-161.3	-6.9	38.6	-18.3	0	0	0	113.3
168	L	28.3	Very low	33.8	Very low	149 Å²	149	145.5 Å²	145.5	78%	0.78	76%	0.76	S	S	*	*			trans	82.2	153.9	147.1	-80.7	172.5	0	0	0	122.8
169	T	31.9	Very low	33.8	Very low	127 Å²	127	145.1 Å²	145.1	78%	0.779	76%	0.759	S	S	*	*			trans	72	138	174.7	67.6	0	0	0	0	116.5
170	R	32.2	Very low	34	Very low	200 Å²	200	146.9 Å²	146.9	76%	0.755	76%	0.763	S	S	*	*			cis	-147.3	154.1	-9.1	-112.8	175.4	111.9	136.7	-4.4	107.2
171	K	29.5	Very low	34.2	Very low	155 Å²	155	149.9 Å²	149.9	67%	0.674	77%	0.768	S	S	*	*				38.5	137	92.9	-76.5	-173.5	154	-134.7	0	114.1
172	E	30.2	Very low	34.2	Very low	141 Å²	141	146.6 Å²	146.6	66%	0.659	76%	0.762	S	S	*	*			cis	-150.9	172.3	6.9	-101	139.2	160.8	0	0	106.6
173	S	32.7	Very low	34.1	Very low	119 Å²	119	142.5 Å²	142.5	83%	0.832	76%	0.758	S	S	*	*			cis	-154.1	-170.4	25.2	52.2	0	0	0	0	111.9
174	A	29.9	Very low	34	Very low	90 Å²	90	142.9 Å²	142.9	74%	0.744	76%	0.755	S	S	*	*			trans	-118.2	-175.2	-174	0	0	0	0	0	112.1
175	P	57.5	Low	33.9	Very low	117 Å²	117	137.9 Å²	137.9	76%	0.76	75%	0.751	S	S	*	*			trans	-96.8	-163.8	-155.7	46	-43.3	0	0	0	113.1
176	P	47.6	Very low	34.1	Very low	117 Å²	117	135.5 Å²	135.5	76%	0.76	75%	0.747	S	S	*	*				-125.8	-178.7	60.8	33.3	-13.6	0	0	0	111.8
177	T	32.4	Very low	33.4	Very low	119 Å²	119	136.7 Å²	136.7	73%	0.73	75%	0.745	S	S	*	*			cis	-151.3	174.9	29.3	77.5	0	0	0	0	108.7
178	I	32.7	Very low	32.6	Very low	142 Å²	142	135.7 Å²	135.7	73%	0.728	74%	0.741	S	S	*	*			cis	-157.8	-179.7	-12.5	-124.1	171	0	0	0	111.9
179	K	31.8	Very low	32.8	Very low	164 Å²	164	133.6 Å²	133.6	71%	0.713	74%	0.738	S	S	*	*			trans	-35.3	155.2	167.8	-56.8	171.4	-177	179.6	0	117.2
180	H	32.3	Very low	33.4	Very low	150 Å²	150	132.9 Å²	132.9	69%	0.694	74%	0.736	S	S	*	*			cis	-164.3	163.6	-5.9	-114.7	-48.7	0	0	0	111.2
181	R	30.4	Very low	33.3	Very low	224 Å²	224	128.9 Å²	128.9	85%	0.845	74%	0.739	S	S	*	*			trans	18.2	147.7	148	-72.8	-178.6	168.4	157.1	-4.8	121.3
182	A	29.5	Very low	33.5	Very low	82 Å²	82	127.2 Å²	127.2	68%	0.678	75%	0.746	S	S	*	*			cis	-174.8	166.4	-10.5	0	0	0	0	0	111.5
183	S	29.8	Very low	33.6	Very low	104 Å²	104	126 Å²	126	73%	0.727	75%	0.754	S	S	*	*			trans	52.4	109.2	149.6	-60.6	0	0	0	0	122.3
184	D	28.1	Very low	33.7	Very low	144 Å²	144	125.5 Å²	125.5	77%	0.77	75%	0.75	S	S	*	*				23.9	123.7	124.9	-39	-51.4	0	0	0	120.9
185	T	28.5	Very low	34.1	Very low	134 Å²	134	126.9 Å²	126.9	82%	0.822	75%	0.749	S	S	*	*				176.7	142.1	105.2	30.7	0	0	0	0	114.7
186	L	32.2	Very low	33.2	Very low	157 Å²	157	127.5 Å²	127.5	82%	0.822	75%	0.754	S	S	*	*			trans	31.3	120.1	142.4	-58.4	176.6	0	0	0	124
187	D	26.4	Very low	32.5	Very low	132 Å²	132	128.1 Å²	128.1	71%	0.706	76%	0.755	S	S	*	*				86.2	143.5	127.6	-112.4	-55.3	0	0	0	127.2
188	S	30.2	Very low	32.7	Very low	82 Å²	82	128.1 Å²	128.1	57%	0.573	76%	0.76	S	S	*	*			trans	57	114.7	148.9	-75.2	0	0	0	0	125.3
189	S	33.3	Very low	32.7	Very low	105 Å²	105	124.6 Å²	124.6	73%	0.734	76%	0.759	S	S	*	*			trans	58.1	174.9	131	-54.5	0	0	0	0	121.5
190	P	44.9	Very low	32.7	Very low	112 Å²	112	122.9 Å²	122.9	73%	0.727	77%	0.766	S	S	*	*			cis	-133.3	-177.3	-8.9	43.9	-27.8	0	0	0	117
191	S	29.6	Very low	32.6	Very low	116 Å²	116	121.8 Å²	121.8	81%	0.811	78%	0.775	S	S	*	*			trans	79.9	147.2	145.6	-63.7	0	0	0	0	126.1
192	S	33.5	Very low	33.1	Very low	120 Å²	120	116.4 Å²	116.4	84%	0.839	77%	0.772	S	S	*	*			trans	-37.5	166.8	178.9	-41.5	0	0	0	0	120
193	S	32.4	Very low	34.1	Very low	117 Å²	117	118.5 Å²	118.5	82%	0.818	78%	0.779	S	S	*	*			cis	-155.3	-159.8	26	56.5	0	0	0	0	111.1
194	S	35.2	Very low	34.2	Very low	108 Å²	108	120.3 Å²	120.3	76%	0.755	78%	0.78	S	S	*	*			cis	-151.8	-116.7	9.3	59.3	0	0	0	0	114.7
195	T	36.7	Very low	34.6	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.724	78%	0.777	S	S	*	*			trans	-148.3	167.8	-165.5	52.3	0	0	0	0	113.8
196	P	39.1	Very low	34.7	Very low	131 Å²	131	117.8 Å²	117.8	85%	0.851	77%	0.769	S	S	*	*				-142.6	-170	111.3	39.3	-24.8	0	0	0	115.4
197	V	33.3	Very low	34.8	Very low	129 Å²	129	118 Å²	118	78%	0.782	77%	0.77	S	S	*	*			trans	-139.5	158.1	-157.8	172	0	0	0	0	114.1
198	S	36.8	Very low	36	Very low	120 Å²	120	117.8 Å²	117.8	84%	0.839	78%	0.776	S	S	*	*			trans	126.9	148	158.3	-56.4	0	0	0	0	113.6
199	G	32.4	Very low	36.1	Very low	68 Å²	68	120.6 Å²	120.6	70%	0.701	78%	0.784	S	S	*	*			cis	124	146.1	-0.4	0	0	0	0	0	112.8
200	C	32.8	Very low	36.4	Very low	128 Å²	128	122.6 Å²	122.6	87%	0.865	78%	0.782	S	S	*	*			cis	-161.2	175.9	-7.1	-79.9	0	0	0	0	109.7
201	S	30.1	Very low	35.9	Very low	127 Å²	127	124.2 Å²	124.2	89%	0.888	79%	0.785	S	S	*	*			trans	-159.1	144.8	169.2	-74.7	0	0	0	0	115
202	S	40.9	Very low	35.9	Very low	110 Å²	110	122.5 Å²	122.5	77%	0.769	79%	0.785	S	S	*	*			trans	-138.5	-174.6	-177.9	-52.4	0	0	0	0	112
203	P	49.2	Very low	35.7	Very low	127 Å²	127	124.3 Å²	124.3	83%	0.825	79%	0.785	S	S	*	*				-141.1	173.1	120.8	38.5	-25.7	0	0	0	116.1
204	N	33.2	Very low	35.7	Very low	141 Å²	141	126 Å²	126	75%	0.754	78%	0.784	S	S	*	*			trans	-90.9	-162.2	-175.9	-65.6	11.2	0	0	0	113.5
205	D	35.3	Very low	36.7	Very low	131 Å²	131	126.2 Å²	126.2	70%	0.701	78%	0.783	S	S	*	*			cis	-161.6	178.3	16.4	-146.2	-118.1	0	0	0	109
206	S	31.3	Very low	36.4	Very low	94 Å²	94	126.2 Å²	126.2	66%	0.657	79%	0.787	S	S	*	*			cis	-154	-178	20.7	-61.2	0	0	0	0	113
207	L	34.7	Very low	36	Very low	161 Å²	161	124.7 Å²	124.7	84%	0.843	79%	0.786	S	S	*	*			trans	-128.7	173.5	163.5	-72.6	172.9	0	0	0	110.7
208	P	50.1	Low	35.7	Very low	128 Å²	128	122.5 Å²	122.5	83%	0.831	79%	0.79	S	S	*	*				-151.5	164.6	104.5	39	-21.4	0	0	0	119
209	N	34	Very low	35.3	Very low	142 Å²	142	120.2 Å²	120.2	76%	0.759	79%	0.785	S	S	*	*			trans	-43.8	173.9	164.3	-85.1	21	0	0	0	118.6
210	E	39.7	Very low	36.2	Very low	146 Å²	146	122.4 Å²	122.4	68%	0.682	79%	0.787	S	S	*	*			cis	-168	178.7	11	-120.8	-91.9	79.8	0	0	113.7
211	N	33.1	Very low	36.1	Very low	146 Å²	146	123.4 Å²	123.4	78%	0.781	78%	0.783	S	S	*	*			trans	90.2	135.8	157.4	-67.1	-69	0	0	0	122.8
212	G	29.4	Very low	36.3	Very low	80 Å²	80	124.6 Å²	124.6	83%	0.825	77%	0.774	S	S	*	*			trans	141.2	110	149.2	0	0	0	0	0	118
213	L	30.8	Very low	35.8	Very low	158 Å²	158	126.4 Å²	126.4	83%	0.827	77%	0.77	S	S	*	*			trans	-94.8	131.5	-175.8	-76.7	156.2	0	0	0	115.6
214	L	31.2	Very low	34.7	Very low	153 Å²	153	124.5 Å²	124.5	80%	0.801	77%	0.765	S	S	*	*			trans	61.2	164.6	139.6	-62.2	173.5	0	0	0	120.7
215	P	56.8	Low	34.5	Very low	113 Å²	113	124.2 Å²	124.2	73%	0.734	76%	0.759	S	S	*	*			cis	-139.1	-178.9	-42.2	39	-22.7	0	0	0	115.1
216	S	31	Very low	34.2	Very low	117 Å²	117	125.7 Å²	125.7	82%	0.818	76%	0.76	S	S	*	*			trans	117.7	151.6	137.9	-154.4	0	0	0	0	120.1
217	A	29.8	Very low	33.9	Very low	100 Å²	100	127.9 Å²	127.9	83%	0.826	76%	0.763	S	S	*	*			trans	70.5	129.3	159.6	0	0	0	0	0	121.8
218	G	27.1	Very low	33.6	Very low	83 Å²	83	126.7 Å²	126.7	86%	0.856	76%	0.757	S	S	*	*			trans	111.1	90.8	142.7	0	0	0	0	0	118.7
219	G	29.1	Very low	32.6	Very low	72 Å²	72	127.3 Å²	127.3	74%	0.742	75%	0.752	S	S	*	*			trans	-118.9	-150.3	145.5	0	0	0	0	0	108.8
220	P	50.8	Low	32.3	Very low	113 Å²	113	131.3 Å²	131.3	73%	0.734	76%	0.757	S	S	*	*			cis	-144.5	-170	-14.6	45.1	-28.3	0	0	0	113.5
221	L	31.5	Very low	31.9	Very low	150 Å²	150	131.6 Å²	131.6	79%	0.785	76%	0.763	S	S	*	*			trans	63.5	168.6	152.6	-68.6	171.8	0	0	0	118.4
222	H	33.3	Very low	31.6	Very low	151 Å²	151	128.4 Å²	128.4	70%	0.699	77%	0.765	S	S	*	*			cis	-166	163.6	-43.4	-153.3	47.7	0	0	0	111.7
223	E	29.5	Very low	31.9	Very low	148 Å²	148	130.6 Å²	130.6	69%	0.692	76%	0.762	S	S	*	*			trans	81.4	162.7	137.2	-124.1	-177.3	144	0	0	123.8
224	A	27.8	Very low	32.1	Very low	87 Å²	87	130.5 Å²	130.5	72%	0.719	76%	0.762	S	S	*	*			trans	71.9	150.6	157.1	0	0	0	0	0	120.1
225	Q	28.7	Very low	31.9	Very low	135 Å²	135	128 Å²	128	63%	0.631	76%	0.757	S	S	*	*			cis	-165.2	149.4	-41.5	-131.8	-175.6	65.4	0	0	109.8
226	K	27.7	Very low	30.7	Very low	163 Å²	163	129 Å²	129	71%	0.709	76%	0.756	S	S	*	*			trans	67.6	134.1	143.3	-91.5	-177.6	-174	156.1	0	124.1
227	L	25.8	Very low	30.5	Very low	140 Å²	140	131.8 Å²	131.8	73%	0.733	75%	0.754	S	S	*	*			trans	91.1	122.2	134.1	-67.4	167.3	0	0	0	123.2
228	L	28.3	Very low	30.4	Very low	135 Å²	135	132.9 Å²	132.9	71%	0.707	75%	0.75	S	S	*	*			trans	74	125.6	131	-68.5	169.5	0	0	0	123.6
229	L	28.6	Very low	30.5	Very low	141 Å²	141	135.6 Å²	135.6	74%	0.738	74%	0.744	S	S	*	*			trans	80.7	115.5	131.8	-78.9	167.9	0	0	0	122.4
230	R	28.6	Very low	30.3	Very low	227 Å²	227	141.3 Å²	141.3	86%	0.857	75%	0.751	S	S	*	*				88.8	150.8	129.6	-125.3	-179.7	-176.7	-174.8	1	120.9
231	D	31.3	Very low	29.3	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	75%	0.753	S	S	*	*			trans	-68.4	153.3	-177.7	-38.2	-92.9	0	0	0	113.4
232	G	27.2	Very low	30.1	Very low	79 Å²	79	141.5 Å²	141.5	81%	0.814	75%	0.754	S	S	*	*			trans	-169.1	68.5	-175.2	0	0	0	0	0	116.2
233	T	34.3	Very low	30.1	Very low	126 Å²	126	139 Å²	139	77%	0.773	75%	0.754	S	S	*	*			trans	-63.4	136.2	-175.9	-56.4	0	0	0	0	116.7
234	L	35.1	Very low	30.2	Very low	155 Å²	155	138.8 Å²	138.8	81%	0.812	76%	0.762	S	S	*	*			trans	64.6	131.1	157.6	-74	169.2	0	0	0	122.3
235	S	28.6	Very low	30.7	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	77%	0.765	S	S	*	*				170.4	140.4	100.6	48	0	0	0	0	116.4
236	N	30.6	Very low	31.4	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	77%	0.772	S	S	*	*			trans	41.9	148.7	148.6	-55.9	-12.8	0	0	0	122.2
237	F	26.6	Very low	31.7	Very low	175 Å²	175	138.7 Å²	138.7	77%	0.768	77%	0.772	S	S	*	*				-167	135.1	55.4	-108.7	-87.6	0	0	0	115.6
238	T	28.3	Very low	32.1	Very low	123 Å²	123	139.9 Å²	139.9	76%	0.755	78%	0.777	S	S	*	*			trans	59.4	157.9	151.4	49	0	0	0	0	120.2
239	I	28.1	Very low	32.5	Very low	141 Å²	141	139.2 Å²	139.2	72%	0.723	78%	0.779	S	S	*	*			cis	-149.2	135.9	38.8	-78	178	0	0	0	113.8
240	Q	25.7	Very low	32.8	Very low	191 Å²	191	140 Å²	140	89%	0.893	78%	0.783	S	S	*	*			trans	51.2	164.2	147.5	-64.4	176.3	-11.7	0	0	125.4
241	N	28.8	Very low	32.9	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	77%	0.77	S	S	*	*			trans	-154.3	154.1	-172.6	179.2	24.6	0	0	0	108.8
242	P	49.8	Very low	33.3	Very low	125 Å²	125	132.6 Å²	132.6	81%	0.812	77%	0.773	S	S	*	*				-148.8	177.4	124.6	37.8	-20.4	0	0	0	116.5
243	S	33.1	Very low	35	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	77%	0.77	S	S	*	*			trans	-115.5	167	-161.6	55.6	0	0	0	0	116.7
244	T	31.1	Very low	34.9	Very low	142 Å²	142	135 Å²	135	87%	0.871	77%	0.773	S	S	*	*			trans	-176.6	165.4	131.5	19.3	0	0	0	0	114.4
245	L	37.4	Very low	35	Very low	147 Å²	147	134.6 Å²	134.6	77%	0.77	77%	0.772	S	S	*	*			trans	-126.6	169.4	175.1	-72.2	172.1	0	0	0	110.1
246	P	45.1	Very low	36.6	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	77%	0.767	S	S	*	*				-133.9	157.9	97.8	39	-30.6	0	0	0	112.8
247	T	32.7	Very low	36.7	Very low	116 Å²	116	138.7 Å²	138.7	71%	0.712	77%	0.774	S	S	*	*			cis	87.2	122.1	15	-48.5	0	0	0	0	116
248	I	34.8	Very low	37.2	Very low	166 Å²	166	134.2 Å²	134.2	85%	0.851	77%	0.77	S	S	*	*			trans	-155.3	168.1	173.3	-134.2	167.2	0	0	0	112
249	T	35.8	Very low	37.5	Very low	120 Å²	120	135.9 Å²	135.9	74%	0.736	77%	0.769	S	S	*	*			trans	-93.4	174.9	-174.2	37.4	0	0	0	0	114.3
250	L	35.7	Very low	37.8	Very low	159 Å²	159	135.3 Å²	135.3	83%	0.832	77%	0.772	S	S	*	*			cis	-128.2	171.5	11.5	-70.5	165.9	0	0	0	111.4
251	G	30.4	Very low	38.2	Very low	56 Å²	56	134.1 Å²	134.1	58%	0.577	77%	0.766	S	S	*	*			cis	138.9	117.9	-12.3	0	0	0	0	0	116.8
252	L	41.2	Very low	38.4	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	77%	0.765	S	S	*	*			trans	76.4	150.4	156.5	-55.3	169.1	0	0	0	119.9
253	P	62.2	Low	37.5	Very low	117 Å²	117	133.1 Å²	133.1	76%	0.76	76%	0.761	S	S	*	*			cis	-117.8	-152.2	-11.9	22	4.7	0	0	0	110.7
254	V	32.7	Very low	37.3	Very low	137 Å²	137	134.1 Å²	134.1	83%	0.83	77%	0.768	S	S	*	*			cis	-141.2	-134.2	6.9	-157.4	0	0	0	0	111
255	N	36.2	Very low	37.2	Very low	147 Å²	147	134.8 Å²	134.8	79%	0.786	77%	0.765	S	S	*	*			trans	-172.3	-178.3	-172	-137.9	-0.1	0	0	0	109.3
256	P	61.6	Low	36.7	Very low	95 Å²	95	138 Å²	138	62%	0.617	77%	0.773	S	S	*	*			cis	-141.7	177.6	-8.5	44	-26	0	0	0	118.7
257	R	34.4	Very low	35.9	Very low	227 Å²	227	140.6 Å²	140.6	86%	0.857	78%	0.777	S	S	*	*			trans	72.3	146.1	164.5	-69.3	178.2	176.4	170.8	-1.3	117.6
258	A	36.3	Very low	35.6	Very low	81 Å²	81	140.3 Å²	140.3	67%	0.669	78%	0.78	S	S	*	*			cis	-172	175.4	-6.4	0	0	0	0	0	110.5
259	E	35	Very low	35.3	Very low	157 Å²	157	142.7 Å²	142.7	73%	0.734	78%	0.778	S	S	*	*			cis	-174	152.9	-41.3	-88.8	133	43	0	0	109.4
260	V	33.2	Very low	34.9	Very low	130 Å²	130	143.7 Å²	143.7	79%	0.788	78%	0.778	S	S	*	*			trans	69.8	119.6	168	173.7	0	0	0	0	118.2
261	E	34.5	Very low	35.6	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	77%	0.77	S	S	*	*				80.5	149.6	59.3	-71.5	-166.2	149.7	0	0	115.5
262	L	33.7	Very low	35.5	Very low	144 Å²	144	144.7 Å²	144.7	75%	0.754	78%	0.781	S	S	*	*			cis	-151.8	-172	8.5	-152.4	75.2	0	0	0	112.7
263	S	29.9	Very low	34.9	Very low	103 Å²	103	143 Å²	143	72%	0.72	78%	0.777	S	S	*	*			trans	-88.4	167.8	-172.8	58.7	0	0	0	0	117.7
264	S	28.7	Very low	33.2	Very low	120 Å²	120	141.4 Å²	141.4	84%	0.839	77%	0.774	S	S	*	*			trans	-169.9	166.5	138.7	-146.8	0	0	0	0	116.5
265	L	29.2	Very low	33	Very low	156 Å²	156	139.8 Å²	139.8	82%	0.817	78%	0.775	S	S	*	*			trans	-94	158	-177.6	-59.2	148.2	0	0	0	113.3
266	K	27.7	Very low	32.5	Very low	216 Å²	216	136.7 Å²	136.7	94%	0.939	78%	0.778	S	S	*	*				174.8	176.8	124.3	-97	165.4	-176.3	177	0	115.4
267	M	27.4	Very low	30.9	Very low	174 Å²	174	135.9 Å²	135.9	86%	0.857	79%	0.787	S	S	*	*			trans	-150.2	123.4	-159.3	166.6	179.1	159.4	0	0	113
268	S	27.8	Very low	31	Very low	110 Å²	110	130.8 Å²	130.8	77%	0.769	79%	0.786	S	S	*	*			trans	-171.9	113.8	168.6	49.9	0	0	0	0	109.4
269	R	27.4	Very low	30.9	Very low	215 Å²	215	132.9 Å²	132.9	81%	0.811	79%	0.793	S	S	*	*				66.6	109.3	72.6	-84.7	-169.3	168.9	-171.6	-1.3	116.5
270	I	28.5	Very low	30.8	Very low	142 Å²	142	131.5 Å²	131.5	73%	0.728	79%	0.794	S	S	*	*				76.6	140.8	127.6	-70.9	171.5	0	0	0	118.2
271	P	50	Low	30.4	Very low	105 Å²	105	134.9 Å²	134.9	68%	0.682	80%	0.799	S	S	*	*			cis	-147.8	-158	-26.3	42.4	-20.7	0	0	0	114.5
272	V	27	Very low	30.3	Very low	131 Å²	131	134.3 Å²	134.3	79%	0.794	80%	0.801	S	S	*	*			trans	71.1	141	146.4	151.9	0	0	0	0	119
273	V	28.9	Very low	30.9	Very low	130 Å²	130	132.5 Å²	132.5	79%	0.788	80%	0.797	S	S	*	*			cis	-165.9	178.9	-20.6	92.9	0	0	0	0	110
274	A	27.7	Very low	30.7	Very low	84 Å²	84	135 Å²	135	69%	0.694	80%	0.802	S	S	*	*			trans	82	101.1	162.6	0	0	0	0	0	121.2
275	A	28	Very low	30.6	Very low	103 Å²	103	134.2 Å²	134.2	85%	0.851	80%	0.796	S	S	*	*				53.3	119.6	115.7	0	0	0	0	0	122.8
276	G	26.2	Very low	30.5	Very low	83 Å²	83	137 Å²	137	86%	0.856	80%	0.796	S	S	*	*				109.9	139.8	115	0	0	0	0	0	118.5
277	G	27.1	Very low	30.5	Very low	78 Å²	78	132.4 Å²	132.4	80%	0.804	78%	0.782	S	S	*	*			trans	107.9	106.9	161	0	0	0	0	0	116.2
278	S	36	Very low	30.6	Very low	119 Å²	119	130 Å²	130	83%	0.832	77%	0.772	S	S	*	*			trans	-68.8	158.3	150.9	-50.8	0	0	0	0	109.5
279	P	34.8	Very low	30.6	Very low	126 Å²	126	132.3 Å²	132.3	82%	0.818	77%	0.771	S	S	*	*				-138.1	148.9	116.6	36.4	-26.7	0	0	0	114.3
280	V	33.9	Very low	30.6	Very low	127 Å²	127	127.1 Å²	127.1	77%	0.77	77%	0.774	S	S	*	*			trans	-92.4	134.8	160.7	171.1	0	0	0	0	107.7
281	F	25.1	Very low	30.5	Very low	201 Å²	201	124.4 Å²	124.4	88%	0.882	78%	0.781	S	S	*	*			trans	-162.3	129.6	148.6	-103.1	-68.1	0	0	0	112.5
282	L	31.8	Very low	29.4	Very low	154 Å²	154	127.8 Å²	127.8	81%	0.806	79%	0.788	S	S	*	*			trans	-98.5	-167.8	155.1	-73.1	168.6	0	0	0	106.9
283	P	46.4	Very low	29.3	Very low	106 Å²	106	129.6 Å²	129.6	69%	0.688	79%	0.79	S	S	*	*			cis	-137.3	-151.8	1	41.5	-19.6	0	0	0	113.5
284	L	24.3	Very low	29.2	Very low	155 Å²	155	129.8 Å²	129.8	81%	0.812	79%	0.786	S	S	*	*			trans	99.2	133.7	168.6	-58.5	164.1	0	0	0	116.2
285	S	28	Very low	29.6	Very low	104 Å²	104	131.5 Å²	131.5	73%	0.727	79%	0.79	S	S	*	*			cis	-175.7	170	-28.4	-117.8	0	0	0	0	110.8
286	R	26.6	Very low	29.6	Very low	214 Å²	214	134.9 Å²	134.9	81%	0.808	79%	0.788	S	S	*	*			trans	80.9	128.1	152.1	-155.2	-177.6	-178.6	159.6	7.4	117.5
287	D	28.7	Very low	29.6	Very low	120 Å²	120	138.6 Å²	138.6	64%	0.642	79%	0.787	S	S	*	*			cis	-128.6	-154.1	-19.5	-82.9	-33.1	0	0	0	105.9
288	D	27.9	Very low	29.9	Very low	122 Å²	122	139.9 Å²	139.9	65%	0.652	78%	0.782	S	S	*	*			cis	-161.2	171.1	4.7	-160.3	11.8	0	0	0	112.8
289	Q	28.5	Very low	29.4	Very low	160 Å²	160	140.9 Å²	140.9	75%	0.748	78%	0.783	S	S	*	*			trans	37.2	94.7	155.4	-82.3	175.9	91	0	0	122.3
290	A	27.1	Very low	29	Very low	106 Å²	106	141.7 Å²	141.7	88%	0.876	78%	0.778	S	S	*	*				57.3	136.4	114.3	0	0	0	0	0	123.4
291	G	26.1	Very low	28.6	Very low	85 Å²	85	143 Å²	143	88%	0.876	78%	0.78	S	S	*	*			trans	127.7	104.6	150.2	0	0	0	0	0	116.2
292	Q	27.5	Very low	28.6	Very low	176 Å²	176	141.1 Å²	141.1	82%	0.822	78%	0.778	S	S	*	*			trans	-120.5	129.9	179	179.5	-173.4	14.3	0	0	110.9
293	M	24.9	Very low	28.3	Very low	168 Å²	168	142.5 Å²	142.5	83%	0.828	78%	0.78	S	S	*	*			trans	-165.1	163.8	155.9	-100.1	-44.9	105.1	0	0	112.7
294	N	27	Very low	27.8	Very low	134 Å²	134	143.3 Å²	143.3	72%	0.717	79%	0.786	S	S	*	*			trans	-81.2	154.7	-170.3	-70.9	-29.5	0	0	0	115.6
295	P	36.7	Very low	27.9	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	79%	0.79	S	S	*	*			trans	-88.2	157.4	166.3	36.6	-34.1	0	0	0	113
296	H	26.6	Very low	27.9	Very low	173 Å²	173	140.6 Å²	140.6	80%	0.801	79%	0.791	S	S	*	*			trans	-146.7	151.6	176.7	-98.8	-68.9	0	0	0	112.2
297	L	27.5	Very low	27.9	Very low	161 Å²	161	138.2 Å²	138.2	84%	0.843	79%	0.793	S	S	*	*			trans	71.5	155.2	168.1	-59	166.8	0	0	0	117.5
298	P	32.5	Very low	27.7	Very low	106 Å²	106	139.4 Å²	139.4	69%	0.688	80%	0.797	S	S	*	*			cis	-135.1	159.5	-40.1	36.7	-22.2	0	0	0	113.7
299	V	26	Very low	27.7	Very low	140 Å²	140	142.9 Å²	142.9	85%	0.848	81%	0.809	S	S	*	*			trans	-109.1	135.2	167.9	177.2	0	0	0	0	109.5
300	I	26.5	Very low	27.6	Very low	142 Å²	142	141 Å²	141	73%	0.728	81%	0.809	S	S	*	*			trans	-98	134.9	-178.6	-63.1	175	0	0	0	110.1	L302	I300-L302 HydrophobicContact CG2-CG 4.42Å
301	I	25	Very low	27.6	Very low	156 Å²	156	144.8 Å²	144.8	80%	0.8	81%	0.813	S	S	*	*			trans	-107.2	138.3	173.6	-60	171.9	0	0	0	108.3
302	L	25.9	Very low	27.5	Very low	160 Å²	160	144.1 Å²	144.1	84%	0.838	81%	0.806	S	S	*	*			trans	-132.5	126.8	175.6	-83.9	164.5	0	0	0	111	I300	I300-L302 HydrophobicContact CG2-CG 4.42Å
303	E	24.8	Very low	27.8	Very low	183 Å²	183	142.4 Å²	142.4	86%	0.855	81%	0.807	S	S	*	*			trans	-85	152	169.9	-68.9	-171.3	148.2	0	0	111.6
304	P	35.3	Very low	28.1	Very low	124 Å²	124	140.5 Å²	140.5	81%	0.805	81%	0.807	S	S	*	*			trans	-93.5	118.3	169.4	34.3	-29.9	0	0	0	112.2
305	S	27.3	Very low	28	Very low	129 Å²	129	137.2 Å²	137.2	90%	0.902	81%	0.805	S	S	*	*			trans	-151.5	123.7	156.5	-84.1	0	0	0	0	108.3
306	G	26.7	Very low	27.7	Very low	72 Å²	72	139.7 Å²	139.7	74%	0.742	81%	0.811	S	S	*	*			trans	-124.5	155.3	-165.7	0	0	0	0	0	114.4
307	L	26.8	Very low	27.7	Very low	165 Å²	165	138.3 Å²	138.3	86%	0.864	81%	0.81	S	S	*	*			trans	-153.9	142.1	142.8	-137.9	87.4	0	0	0	111.1
308	M	26	Very low	27.7	Very low	145 Å²	145	136.8 Å²	136.8	71%	0.714	81%	0.809	S	S	*	*			trans	8.7	126.1	161.7	-55.5	-57.1	139.8	0	0	120.3
309	H	27.7	Very low	27.4	Very low	195 Å²	195	138 Å²	138	90%	0.903	81%	0.814	S	S	*	*				-154.3	151.5	118.4	-106.1	-71.2	0	0	0	110.9
310	T	26.2	Very low	27.7	Very low	121 Å²	121	136.6 Å²	136.6	74%	0.742	81%	0.808	S	S	*	*			trans	-126.4	124.5	-166.9	39.6	0	0	0	0	113.7
311	L	25.6	Very low	27.6	Very low	185 Å²	185	138.4 Å²	138.4	97%	0.969	82%	0.818	S	S	*	*			trans	-152.5	137.5	162.9	-66.7	175.6	0	0	0	106.6
312	G	26.1	Very low	27.7	Very low	71 Å²	71	140 Å²	140	73%	0.732	82%	0.823	S	S	*	*			cis	-175	133.1	-11.7	0	0	0	0	0	108
313	V	33.1	Very low	27.7	Very low	139 Å²	139	142.1 Å²	142.1	84%	0.842	83%	0.825	S	S	*	*			trans	-119.8	145.5	-166.6	-176.5	0	0	0	0	111.6
314	P	31.6	Very low	27.7	Very low	128 Å²	128	140.3 Å²	140.3	83%	0.831	83%	0.826	S	S	*	*			trans	-130.2	127.6	149.8	34.4	-20.8	0	0	0	112.5
315	G	25	Very low	27.3	Very low	66 Å²	66	139.2 Å²	139.2	68%	0.68	82%	0.822	S	S	*	*			trans	174	58.9	-179.5	0	0	0	0	0	118.6
316	L	30.1	Very low	27.3	Very low	172 Å²	172	141.5 Å²	141.5	90%	0.901	82%	0.818	S	S	*	*			trans	74.7	146.5	167.2	-51.2	177.1	0	0	0	118.2
317	D	26.4	Very low	27.3	Very low	145 Å²	145	145.2 Å²	145.2	78%	0.775	82%	0.82	S	S	*	*			trans	-100.1	153	-161.8	-49.4	-93.9	0	0	0	115.5	V319	D317-V319 HydrophobicContact CB-CG2 4.33Å
318	P	27.3	Very low	27.3	Very low	129 Å²	129	143.7 Å²	143.7	84%	0.838	81%	0.813	S	S	*	*			trans	-115.3	132.3	149.7	34.9	-24.7	0	0	0	111.8
319	V	27.1	Very low	27.5	Very low	131 Å²	131	146 Å²	146	79%	0.794	81%	0.814	S	S	*	*			trans	-124.8	140.6	179.1	-171	0	0	0	0	108.7	D317	D317-V319 HydrophobicContact CB-CG2 4.33Å
320	P	32.2	Very low	27.6	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	81%	0.806	S	S	*	*			trans	-107.2	173.7	-143.7	40.6	-37.1	0	0	0	115.2
321	L	24.4	Very low	27.8	Very low	179 Å²	179	142.6 Å²	142.6	94%	0.937	81%	0.805	S	S	*	*			trans	-132.8	151.5	161.8	-79.2	179.3	0	0	0	112.9
322	Q	26.1	Very low	28.8	Very low	190 Å²	190	139.8 Å²	139.8	89%	0.888	80%	0.797	S	S	*	*			trans	-107.1	175	-177.9	-63.3	175.3	-52.6	0	0	111.2
323	F	26.3	Very low	28.8	Very low	204 Å²	204	140.4 Å²	140.4	90%	0.895	80%	0.804	S	S	*	*			trans	-59.6	148.5	170.5	-83.4	-112.9	0	0	0	112.9
324	V	24.3	Very low	28.6	Very low	145 Å²	145	137.2 Å²	137.2	88%	0.879	80%	0.799	S	S	*	*				-176.8	171.4	125.4	146.1	0	0	0	0	109.7
325	S	27.7	Very low	28.6	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	80%	0.804	S	S	*	*			trans	-111.8	168.7	-151.7	-47.4	0	0	0	0	116.7
326	Q	26.6	Very low	28.9	Very low	178 Å²	178	143.8 Å²	143.8	83%	0.832	81%	0.811	S	S	*	*			trans	112.3	143.5	147	-65.7	-165.7	-15.7	0	0	121.7
327	L	26.5	Very low	29	Very low	149 Å²	149	140.3 Å²	140.3	78%	0.78	81%	0.807	S	S	*	*			trans	76.7	90.5	148.4	-106.4	67.5	0	0	0	123.4
328	D	27.9	Very low	29.2	Very low	133 Å²	133	142 Å²	142	71%	0.711	81%	0.81	S	S	*	*				29.3	114.1	114	-145.2	39.4	0	0	0	120.6
329	R	30.1	Very low	29.6	Very low	195 Å²	195	145.4 Å²	145.4	74%	0.736	81%	0.812	S	S	*	*				161.5	138.4	105.3	-92.2	-161.2	167.1	-146.7	-5.3	117.9
330	L	28.3	Very low	29.9	Very low	142 Å²	142	145.3 Å²	145.3	74%	0.743	81%	0.814	S	S	*	*			trans	64.4	154.5	152.2	-59.5	166.1	0	0	0	118.3
331	S	31.6	Very low	29.8	Very low	101 Å²	101	148.7 Å²	148.7	71%	0.706	83%	0.825	S	S	*	*			cis	169.9	171.5	-26.3	-92.9	0	0	0	0	108
332	P	45.5	Very low	30.1	Very low	126 Å²	126	145.7 Å²	145.7	82%	0.818	82%	0.819	S	S	*	*			cis	-136.8	172.4	-33.3	39.5	-22.6	0	0	0	115.5
333	G	27.7	Very low	30.5	Very low	85 Å²	85	148.4 Å²	148.4	88%	0.876	82%	0.821	S	S	*	*			trans	105	141.3	155.5	0	0	0	0	0	117.4
334	G	28.3	Very low	30.7	Very low	71 Å²	71	145 Å²	145	73%	0.732	82%	0.817	S	S	*	*			cis	178.8	174.9	-6.3	0	0	0	0	0	114.3
335	V	31.8	Very low	31.1	Very low	155 Å²	155	150 Å²	150	94%	0.939	82%	0.821	S	S	*	*			trans	78.7	153.2	177.7	-167.1	0	0	0	0	115.9
336	Q	31.5	Very low	31.3	Very low	178 Å²	178	151 Å²	151	83%	0.832	83%	0.827	S	S	*	*			trans	-127.4	159.3	-158	-64.4	177.8	-29.9	0	0	115
337	A	30.8	Very low	31.7	Very low	98 Å²	98	151.6 Å²	151.6	81%	0.81	83%	0.83	S	S	*	*			trans	-145.8	158	148.2	0	0	0	0	0	110.2
338	H	31.5	Very low	32.1	Very low	182 Å²	182	150.4 Å²	150.4	84%	0.843	83%	0.831	S	S	*	*			trans	-83.6	153.6	-157	-60.6	-94	0	0	0	116.9
339	K	34.6	Very low	32.5	Very low	200 Å²	200	151.6 Å²	151.6	87%	0.87	84%	0.837	S	S	*	*			trans	-141	150.8	158.4	-106	-175.5	175.5	177.4	0	110
340	P	33.8	Very low	32.9	Very low	128 Å²	128	148.3 Å²	148.3	83%	0.831	84%	0.841	S	S	*	*			trans	-76	162.6	-175.9	30.7	-35.1	0	0	0	113.8
341	L	30	Very low	33.6	Very low	182 Å²	182	149 Å²	149	95%	0.953	84%	0.84	S	S	*	*			trans	-80.5	144.9	-170.2	-69.7	161.9	0	0	0	113.9
342	S	31.4	Very low	34.3	Very low	117 Å²	117	148 Å²	148	82%	0.818	83%	0.832	S	S	*	*			trans	-144.8	117.6	164.9	56.9	0	0	0	0	112.8
343	R	33.4	Very low	34.2	Very low	246 Å²	246	147.2 Å²	147.2	93%	0.928	83%	0.828	S	S	*	*			trans	-168.7	146.8	165.9	-106.2	167.1	174.1	162.4	-1.9	105.2
344	T	32.5	Very low	35	Very low	134 Å²	134	153.3 Å²	153.3	82%	0.822	82%	0.824	S	S	*	*			cis	-126.8	156.4	34.8	47	0	0	0	0	114.4
345	R	31.3	Very low	35.9	Very low	250 Å²	250	151.5 Å²	151.5	94%	0.943	80%	0.803	S	S	*	*			trans	-123.6	142.4	152.5	-88.4	-170.4	170.1	-150.1	-1	107.2
346	S	32.6	Very low	36.5	Very low	120 Å²	120	149.9 Å²	149.9	84%	0.839	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-101.4	136.7	174.2	34.1	0	0	0	0	110.7
347	E	34	Very low	37.2	Very low	192 Å²	192	147 Å²	147	90%	0.897	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-88.3	147.3	169.1	-76.9	-179.6	117.2	0	0	111
348	P	35.3	Very low	38	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-81.5	150.5	173.9	33.5	-34.1	0	0	0	112.5
349	L	35.7	Very low	38.8	Very low	158 Å²	158	145 Å²	145	83%	0.827	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-70.3	156	-179.9	-73.8	165.6	0	0	0	113.3
350	P	38.5	Very low	39.5	Very low	126 Å²	126	140.1 Å²	140.1	82%	0.818	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-64.5	138.9	-176.3	25.7	-35.3	0	0	0	113.2
351	Q	43.1	Very low	40.4	Very low	157 Å²	157	138.1 Å²	138.1	73%	0.734	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-84.9	153.1	-176.5	-61.8	-173.7	4.1	0	0	113.1	A355	Q351-A355 HydrophobicContact CB-CB 4.22Å
352	S	47.6	Very low	41.3	Very low	78 Å²	78	134.6 Å²	134.6	55%	0.545	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-75.5	155.7	-178.9	73.4	0	0	0	0	113.1	R354 A355	S352-R354 PolarHBondContact O-N 2.81Å; S352-A355 WeakPolarHBondContact O-CB 3.43Å; S352-A355 PolarHBondContact O-N 3.42Å
353	P	42.1	Very low	42.1	Very low	111 Å²	111	134.8 Å²	134.8	72%	0.721	68%	0.683	S	S	*	*	H	α-helix	trans	-57.1	-24	-175.7	-28.2	36.1	0	0	0	115.8	A355 L356 H357	P353-A355 VanDerWaalsContact C-N 3.34Å; P353-L356 PolarHBondContact O-N 3.28Å; P353-H357 PolarHBondContact O-N 2.93Å
354	R	44.4	Very low	42.8	Very low	212 Å²	212	128.8 Å²	128.8	80%	0.8	67%	0.666	S	S	*	*	H	α-helix	trans	-66.3	-32.4	175.1	-96.5	-178.6	166.2	171	-4.8	113.1	S352 N358	S352-R354 PolarHBondContact O-N 2.81Å; R354-N358 PolarHBondContact O-N 2.67Å
355	A	47.2	Very low	43.6	Very low	34 Å²	34	127.5 Å²	127.5	28%	0.281	65%	0.65	S	S	.	*	H	α-helix	trans	-66.8	-45.1	177	0	0	0	0	0	111	Q351 S352 P353 H357 N358 H359	Q351-A355 HydrophobicContact CB-CB 4.22Å; S352-A355 WeakPolarHBondContact O-CB 3.43Å; S352-A355 PolarHBondContact O-N 3.42Å; P353-A355 VanDerWaalsContact C-N 3.34Å; A355-H357 PolarHBondContact O-N 2.71Å; A355-N358 PolarHBondContact O-N 2.72Å; A355-H359 WeakPolarHBondContact O-CB 3.39Å; A355-H359 PolarHBondContact O-N 3.32Å
356	L	44.5	Very low	44.4	Very low	121 Å²	121	119.7 Å²	119.7	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-61	-40.8	176.5	-77.8	166.6	0	0	0	112.7	P353 H359 L360	P353-L356 PolarHBondContact O-N 3.28Å; L356-H359 PolarHBondContact O-N 2.94Å; L356-L360 WeakPolarHBondContact O-CB 3.35Å; L356-L360 PolarHBondContact O-N 3.23Å
357	H	48	Very low	45.2	Very low	116 Å²	116	116.7 Å²	116.7	54%	0.537	61%	0.61	S	S	.	*	H	α-helix	trans	-63.8	-45.3	178.1	-170.8	69.3	0	0	0	112.4	P353 A355 H359 L360 L361	P353-H357 PolarHBondContact O-N 2.93Å; A355-H357 PolarHBondContact O-N 2.71Å; H357-H359 PolarHBondContact O-N 2.97Å; H357-L360 PolarHBondContact O-N 2.9Å; H357-L361 WeakPolarHBondContact O-CG 3.23Å; H357-L361 PolarHBondContact O-N 3.2Å; H357-L361 VanDerWaalsContact O-N 3.09Å
358	N	47.3	Very low	45.9	Very low	110 Å²	110	112.9 Å²	112.9	59%	0.588	59%	0.592	S	S	*	*	H	α-helix	trans	-64.9	-38.9	175.7	-74.1	-0.2	0	0	0	111.9	R354 A355 L361 Q362	R354-N358 PolarHBondContact O-N 2.67Å; A355-N358 PolarHBondContact O-N 2.72Å; N358-L361 PolarHBondContact O-N 2.93Å; N358-Q362 WeakPolarHBondContact O-CB 3.2Å; N358-Q362 PolarHBondContact O-N 3.37Å
359	H	47	Very low	46.7	Very low	130 Å²	130	111.4 Å²	111.4	60%	0.602	58%	0.577	S	S	*	*	H	α-helix	trans	-66.5	-39.3	178	-161.6	63.5	0	0	0	112.2	A355 L356 H357 Q362 Q363	A355-H359 WeakPolarHBondContact O-CB 3.39Å; A355-H359 PolarHBondContact O-N 3.32Å; L356-H359 PolarHBondContact O-N 2.94Å; H357-H359 PolarHBondContact O-N 2.97Å; H359-Q362 PolarHBondContact O-N 3.22Å; H359-Q363 WeakPolarHBondContact O-CB 3.28Å; H359-Q363 PolarHBondContact O-N 3.16Å
360	L	50	Low	47.1	Very low	96 Å²	96	109.1 Å²	109.1	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-41	176.1	-170.9	67	0	0	0	112.2	L356 H357 Q363 Q364	L356-L360 WeakPolarHBondContact O-CB 3.35Å; L356-L360 PolarHBondContact O-N 3.23Å; H357-L360 PolarHBondContact O-N 2.9Å; L360-Q363 PolarHBondContact O-N 2.94Å; L360-Q364 PolarHBondContact O-N 2.67Å
361	L	51.6	Low	47.4	Very low	87 Å²	87	109 Å²	109	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-63.4	-43.4	173.2	-74.8	168.8	0	0	0	111.9	H357 N358 Q363 Q364 H365	H357-L361 WeakPolarHBondContact O-CG 3.23Å; H357-L361 PolarHBondContact O-N 3.2Å; H357-L361 VanDerWaalsContact O-N 3.09Å; N358-L361 PolarHBondContact O-N 2.93Å; L361-Q363 VanDerWaalsContact C-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.1Å; L361-Q364 PolarHBondContact O-N 3.32Å; L361-H365 WeakPolarHBondContact O-CB 3.39Å; L361-H365 PolarHBondContact O-N 3.48Å
362	Q	50.4	Low	47.6	Very low	107 Å²	107	108.4 Å²	108.4	50%	0.5	54%	0.544	S	S	.	.	H	α-helix	trans	-60.8	-40.8	175	-167.9	70.3	69.8	0	0	111.6	N358 H359 H365 N366	N358-Q362 WeakPolarHBondContact O-CB 3.2Å; N358-Q362 PolarHBondContact O-N 3.37Å; H359-Q362 PolarHBondContact O-N 3.22Å; Q362-H365 PolarHBondContact O-N 3.04Å; Q362-N366 VanDerWaalsContact O-CG 3.23Å; Q362-N366 PolarHBondContact O-N 3.23Å; Q362-N366 PolarHBondContact O-OD1 3.46Å
363	Q	47.4	Very low	47.3	Very low	122 Å²	122	108.9 Å²	108.9	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-68.4	-41.3	179.2	-163.3	176.5	31.2	0	0	112.2	H359 L360 L361 N366 A367	H359-Q363 WeakPolarHBondContact O-CB 3.28Å; H359-Q363 PolarHBondContact O-N 3.16Å; L360-Q363 PolarHBondContact O-N 2.94Å; L361-Q363 VanDerWaalsContact C-N 3.31Å; L361-Q363 PolarHBondContact O-N 3.1Å; Q363-N366 PolarHBondContact O-N 3.16Å; Q363-A367 PolarHBondContact O-N 3.37Å
364	Q	48.1	Very low	47.3	Very low	120 Å²	120	110.6 Å²	110.6	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-62.9	-41.3	172.4	-77.5	-171.1	-28.6	0	0	112.4	L360 L361 A367 Q368	L360-Q364 PolarHBondContact O-N 2.67Å; L361-Q364 PolarHBondContact O-N 3.32Å; Q364-A367 PolarHBondContact O-N 3.45Å; Q364-Q368 PolarHBondContact O-N 3.48Å; Q364-Q368 VanDerWaalsContact O-N 3.07Å
365	H	50.6	Low	47.1	Very low	106 Å²	106	106.7 Å²	106.7	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-44.6	177.2	-168.1	65.7	0	0	0	111.6	L361 Q362 A367 Q368 L369	L361-H365 WeakPolarHBondContact O-CB 3.39Å; L361-H365 PolarHBondContact O-N 3.48Å; Q362-H365 PolarHBondContact O-N 3.04Å; H365-A367 VanDerWaalsContact C-N 3.34Å; H365-A367 PolarHBondContact O-N 2.72Å; H365-Q368 PolarHBondContact O-N 3.06Å; H365-L369 PolarHBondContact O-N 3.24Å
366	N	47.1	Very low	47	Very low	87 Å²	87	111.7 Å²	111.7	47%	0.465	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-36.3	177	-68.5	2.8	0	0	0	112.2	Q362 Q363 L369 L370	Q362-N366 VanDerWaalsContact O-CG 3.23Å; Q362-N366 PolarHBondContact O-N 3.23Å; Q362-N366 PolarHBondContact O-OD1 3.46Å; Q363-N366 PolarHBondContact O-N 3.16Å; N366-L369 WeakPolarHBondContact O-CB 3.46Å; N366-L369 PolarHBondContact O-N 3.47Å; N366-L370 PolarHBondContact O-N 3.32Å
367	A	50.1	Low	46.9	Very low	57 Å²	57	110.3 Å²	110.3	47%	0.471	54%	0.542	S	S	.	.	H	α-helix	trans	-63.2	-46.7	174.4	0	0	0	0	0	112.1	Q363 Q364 H365 L369 L370 E371	Q363-A367 PolarHBondContact O-N 3.37Å; Q364-A367 PolarHBondContact O-N 3.45Å; H365-A367 VanDerWaalsContact C-N 3.34Å; H365-A367 PolarHBondContact O-N 2.72Å; A367-L369 PolarHBondContact O-N 2.69Å; A367-L370 PolarHBondContact O-N 3.02Å; A367-E371 PolarHBondContact O-N 3.48Å
368	Q	48	Very low	46.4	Very low	112 Å²	112	111.8 Å²	111.8	52%	0.523	55%	0.548	S	S	.	.	H	α-helix	trans	-66.4	-22.6	175.9	-72.2	-173.1	-9.7	0	0	114	Q364 H365 R372	Q364-Q368 PolarHBondContact O-N 3.48Å; Q364-Q368 VanDerWaalsContact O-N 3.07Å; H365-Q368 PolarHBondContact O-N 3.06Å; Q368-R372 PolarHBondContact O-N 3.4Å; Q368-R372 PolarHBondContact O-NE 3.34Å
369	L	51.5	Low	45.9	Very low	93 Å²	93	113.2 Å²	113.2	49%	0.487	56%	0.555	S	S	.	*	H	α-helix	trans	-74.9	-46.5	172.1	-164.1	74.9	0	0	0	110.7	H365 N366 A367 E371 R372 L373	H365-L369 PolarHBondContact O-N 3.24Å; N366-L369 WeakPolarHBondContact O-CB 3.46Å; N366-L369 PolarHBondContact O-N 3.47Å; A367-L369 PolarHBondContact O-N 2.69Å; L369-E371 VanDerWaalsContact C-N 3.32Å; L369-E371 PolarHBondContact O-N 3.09Å; L369-R372 PolarHBondContact O-N 3.42Å; L369-L373 PolarHBondContact O-N 3.46Å
370	L	44.2	Very low	45.5	Very low	109 Å²	109	109 Å²	109	57%	0.571	55%	0.547	S	S	*	.	H	α-helix	trans	-64.3	-35.8	179.4	-164.2	71.2	0	0	0	112.4	N366 A367 L373 K374	N366-L370 PolarHBondContact O-N 3.32Å; A367-L370 PolarHBondContact O-N 3.02Å; L370-L373 PolarHBondContact O-N 2.86Å; L370-K374 PolarHBondContact O-N 3.07Å
371	E	45.3	Very low	44.8	Very low	124 Å²	124	113 Å²	113	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-68.2	-37.3	175.2	-168.6	161	-137.6	0	0	112.4	A367 L369 K374 Q375	A367-E371 PolarHBondContact O-N 3.48Å; L369-E371 VanDerWaalsContact C-N 3.32Å; L369-E371 PolarHBondContact O-N 3.09Å; E371-K374 PolarHBondContact O-N 3.21Å; E371-Q375 WeakPolarHBondContact O-CG 3.44Å; E371-Q375 PolarHBondContact O-N 3.02Å; E371-Q375 VanDerWaalsContact O-N 3.16Å
372	R	47.2	Very low	44	Very low	145 Å²	145	116 Å²	116	55%	0.547	58%	0.576	S	S	.	*	H	α-helix	trans	-65.7	-39.8	171.3	-111.8	176.8	-72.3	-160.4	-5	112.8	Q368 L369 Q375 Q376	Q368-R372 PolarHBondContact O-N 3.4Å; Q368-R372 PolarHBondContact O-NE 3.34Å; L369-R372 PolarHBondContact O-N 3.42Å; R372-Q375 PolarHBondContact O-N 3.47Å; R372-Q376 PolarHBondContact O-N 2.75Å
373	L	42.1	Very low	43.5	Very low	88 Å²	88	119 Å²	119	46%	0.461	59%	0.592	S	S	.	*	H	α-helix	trans	-62.7	-41.2	174.2	-86.3	154.6	0	0	0	111.9	L369 L370 Q375 Q376 T377	L369-L373 PolarHBondContact O-N 3.46Å; L370-L373 PolarHBondContact O-N 2.86Å; L373-Q375 VanDerWaalsContact C-N 3.32Å; L373-Q375 PolarHBondContact O-N 3.32Å; L373-Q376 PolarHBondContact O-N 3.32Å; L373-T377 PolarHBondContact O-N 3.21Å; L373-T377 PolarHBondContact O-OG1 3.43Å
374	K	41.2	Very low	42.9	Very low	147 Å²	147	117.7 Å²	117.7	64%	0.639	60%	0.597	S	S	*	*	H	α-helix	trans	-58.4	-42.7	172.6	-77.8	-178.4	176.1	-179.5	0	112.2	L370 E371 T377 H378	L370-K374 PolarHBondContact O-N 3.07Å; E371-K374 PolarHBondContact O-N 3.21Å; K374-T377 WeakPolarHBondContact CA-OG1 3.27Å; K374-T377 PolarHBondContact O-N 2.89Å; K374-T377 PolarHBondContact O-OG1 3.28Å; K374-H378 PolarHBondContact O-N 3.1Å
375	Q	40.6	Very low	42.2	Very low	130 Å²	130	121.9 Å²	121.9	61%	0.607	61%	0.613	S	S	*	*	H	α-helix	trans	-63.3	-40.7	176.3	-68.2	172.8	8.9	0	0	112.1	E371 R372 L373 H378	E371-Q375 WeakPolarHBondContact O-CG 3.44Å; E371-Q375 PolarHBondContact O-N 3.02Å; E371-Q375 VanDerWaalsContact O-N 3.16Å; R372-Q375 PolarHBondContact O-N 3.47Å; L373-Q375 VanDerWaalsContact C-N 3.32Å; L373-Q375 PolarHBondContact O-N 3.32Å; Q375-H378 PolarHBondContact O-N 3.06Å
376	Q	45.4	Very low	41.6	Very low	139 Å²	139	122.1 Å²	122.1	65%	0.65	63%	0.627	S	S	*	*	H	α-helix	trans	-64.8	-40.1	175	-73.8	-175.8	-28.5	0	0	113.1	R372 L373 H378 L379 G380	R372-Q376 PolarHBondContact O-N 2.75Å; L373-Q376 PolarHBondContact O-N 3.32Å; Q376-H378 PolarHBondContact O-N 3.47Å; Q376-L379 PolarHBondContact O-N 3.47Å; Q376-L379 VanDerWaalsContact O-N 3.08Å; Q376-G380 PolarHBondContact O-N 3.34Å
377	T	41.6	Very low	40.7	Very low	92 Å²	92	123.5 Å²	123.5	56%	0.564	64%	0.643	S	S	*	*	H	α-helix	trans	-63.7	-20.2	176.3	53.9	0	0	0	0	114	L373 K374	L373-T377 PolarHBondContact O-N 3.21Å; L373-T377 PolarHBondContact O-OG1 3.43Å; K374-T377 WeakPolarHBondContact CA-OG1 3.27Å; K374-T377 PolarHBondContact O-N 2.89Å; K374-T377 PolarHBondContact O-OG1 3.28Å
378	H	37.3	Very low	39.6	Very low	146 Å²	146	130.1 Å²	130.1	68%	0.676	66%	0.664	S	S	*	*	H	α-helix	trans	-78	-22.2	175.5	-153	-64.8	0	0	0	113.3	K374 Q375 Q376	K374-H378 PolarHBondContact O-N 3.1Å; Q375-H378 PolarHBondContact O-N 3.06Å; Q376-H378 PolarHBondContact O-N 3.47Å
379	L	36.7	Very low	39	Very low	140 Å²	140	134 Å²	134	73%	0.733	68%	0.68	S	S	*	*	H	α-helix	trans	-75.8	-42.5	168.4	-110.8	75.5	0	0	0	111.3	Q376 K381 L382	Q376-L379 PolarHBondContact O-N 3.47Å; Q376-L379 VanDerWaalsContact O-N 3.08Å; L379-K381 VanDerWaalsContact C-N 3.29Å; L379-K381 PolarHBondContact O-N 3Å; L379-L382 PolarHBondContact O-N 3.38Å; L379-L382 VanDerWaalsContact O-N 3.1Å
380	G	39.1	Very low	38.1	Very low	42 Å²	42	135.6 Å²	135.6	43%	0.433	70%	0.695	S	S	.	*	H	α-helix	trans	-57.8	-37.3	-176.2	0	0	0	0	0	114	Q376 L382 M383 S384	Q376-G380 PolarHBondContact O-N 3.34Å; G380-L382 PolarHBondContact O-N 2.86Å; G380-L382 VanDerWaalsContact O-N 3.14Å; G380-M383 PolarHBondContact O-N 3.4Å; G380-M383 VanDerWaalsContact O-N 3.17Å; G380-S384 PolarHBondContact O-OG 3.41Å
381	K	35	Very low	37.3	Very low	179 Å²	179	141.5 Å²	141.5	78%	0.778	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-13.8	178.9	-78.1	-171.2	172.8	-175.3	0	115	L379	L379-K381 VanDerWaalsContact C-N 3.29Å; L379-K381 PolarHBondContact O-N 3Å
382	L	35.4	Very low	36.6	Very low	152 Å²	152	143.6 Å²	143.6	80%	0.796	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-9.8	177	-107.6	159.9	0	0	0	113.6	L379 G380	L379-L382 PolarHBondContact O-N 3.38Å; L379-L382 VanDerWaalsContact O-N 3.1Å; G380-L382 PolarHBondContact O-N 2.86Å; G380-L382 VanDerWaalsContact O-N 3.14Å
383	M	39.4	Very low	35.7	Very low	168 Å²	168	144 Å²	144	83%	0.828	73%	0.732	S	S	*	*	S	Bend	trans	-108	4	-177.4	-58.9	-156.1	75.4	0	0	114.5	G380 K385	G380-M383 PolarHBondContact O-N 3.4Å; G380-M383 VanDerWaalsContact O-N 3.17Å; M383-K385 VanDerWaalsContact C-N 3.33Å; M383-K385 PolarHBondContact O-N 3.31Å
384	S	35.2	Very low	35	Very low	96 Å²	96	147.5 Å²	147.5	67%	0.671	75%	0.746	S	S	*	*			trans	-89.2	26.3	-173.9	-43.9	0	0	0	0	114.9	G380	G380-S384 PolarHBondContact O-OG 3.41Å
385	K	33.8	Very low	34.5	Very low	207 Å²	207	148.3 Å²	148.3	90%	0.9	76%	0.756	S	S	*	*	S	Bend	trans	-135.1	46.8	-174.6	-80.3	-160.8	171.6	-168.5	0	115	M383	M383-K385 VanDerWaalsContact C-N 3.33Å; M383-K385 PolarHBondContact O-N 3.31Å
386	S	36.8	Very low	33.9	Very low	112 Å²	112	147.8 Å²	147.8	78%	0.783	76%	0.764	S	S	*	*			trans	-162.5	81	164	58.3	0	0	0	0	112.4
387	S	27.9	Very low	33.2	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	77%	0.766	S	S	*	*			trans	-162	99.8	166	-164.1	0	0	0	0	111.6
388	E	27.4	Very low	32.6	Very low	196 Å²	196	149.9 Å²	149.9	92%	0.916	78%	0.778	S	S	*	*			trans	-118.6	148.7	158.7	-76	-172.7	119.1	0	0	108.6
389	K	36.2	Very low	32.2	Very low	194 Å²	194	150.7 Å²	150.7	84%	0.843	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-101	131.9	-176	-59.8	174.4	-177	173.1	0	110.7
390	P	32.4	Very low	32	Very low	126 Å²	126	152.9 Å²	152.9	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.3	142.4	156	31.6	-31	0	0	0	110.2
391	R	28.1	Very low	31.6	Very low	232 Å²	232	157.9 Å²	157.9	88%	0.875	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.4	151	169.1	-67.2	178.1	176.3	168.2	-1.4	109.8
392	L	29.1	Very low	31.5	Very low	168 Å²	168	154.8 Å²	154.8	88%	0.88	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.1	148.3	161.9	-83.6	101	0	0	0	110.5
393	H	28	Very low	31.4	Very low	155 Å²	155	156.8 Å²	156.8	72%	0.718	82%	0.819	S	S	*	*			trans	-133.6	157.8	158.6	-102.8	-87.8	0	0	0	110.8
394	Q	29.1	Very low	31	Very low	161 Å²	161	156.5 Å²	156.5	75%	0.752	82%	0.821	S	S	*	*			trans	-41.5	148.3	-171.5	-67.2	123.7	-47.9	0	0	117.8
395	I	29.1	Very low	30.7	Very low	163 Å²	163	154.9 Å²	154.9	84%	0.836	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.9	121.6	154.7	-60.4	169.9	0	0	0	107.1
396	P	28.9	Very low	30.4	Very low	119 Å²	119	149.1 Å²	149.1	77%	0.773	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-81.5	139.2	161	-9.3	27.5	0	0	0	110.4
397	S	30.2	Very low	29.9	Very low	99 Å²	99	147.5 Å²	147.5	69%	0.692	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-101.8	145	164.2	50	0	0	0	0	109.6
398	E	29.6	Very low	30	Very low	176 Å²	176	147 Å²	147	82%	0.822	82%	0.822	S	S	*	*			trans	-176.9	127	132	-101	153.2	-147.2	0	0	111.9
399	D	29.4	Very low	29.9	Very low	164 Å²	164	142.8 Å²	142.8	88%	0.877	82%	0.815	S	S	*	*			trans	51.2	167.3	140.5	-61.9	-1.5	0	0	0	123.8
400	M	32.4	Very low	30.4	Very low	185 Å²	185	138.9 Å²	138.9	91%	0.911	81%	0.809	S	S	*	*			trans	-107.4	145.5	-175.8	-96.8	-165.8	66	0	0	112.2
401	D	31.3	Very low	30.2	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	80%	0.801	S	S	*	*			trans	-63.1	159.1	173.7	-60.8	-65.3	0	0	0	114.6
402	S	31.7	Very low	30.2	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	80%	0.797	S	S	*	*			trans	-154.9	127.3	145.4	-74.7	0	0	0	0	110.9
403	E	33.1	Very low	30	Very low	194 Å²	194	132.4 Å²	132.4	91%	0.907	79%	0.789	S	S	*	*			trans	66.5	150.6	167.8	-57.9	-169.4	167.7	0	0	117
404	D	30.5	Very low	29.9	Very low	162 Å²	162	128.6 Å²	128.6	87%	0.866	78%	0.779	S	S	*	*			cis	-164	176	-22.6	175	41.8	0	0	0	107.5
405	G	29.4	Very low	29.8	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	78%	0.78	S	S	*	*			trans	89.4	72.2	150	0	0	0	0	0	117.2
406	G	27.7	Very low	30	Very low	86 Å²	86	129.8 Å²	129.8	89%	0.887	77%	0.774	S	S	*	*			trans	-69.6	-162	-178.3	0	0	0	0	0	118.6
407	G	27.3	Very low	29.9	Very low	78 Å²	78	127.8 Å²	127.8	80%	0.804	76%	0.763	S	S	*	*			trans	156.2	119.5	170.2	0	0	0	0	0	116.3
408	A	28.4	Very low	29.9	Very low	106 Å²	106	134.2 Å²	134.2	88%	0.876	77%	0.772	S	S	*	*			trans	57.9	111.2	151.2	0	0	0	0	0	120.9
409	S	26.2	Very low	29.9	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	77%	0.771	S	S	*	*			trans	-72.8	-173.3	143.7	61.9	0	0	0	0	110
410	P	47	Very low	29.8	Very low	111 Å²	111	134.2 Å²	134.2	72%	0.721	77%	0.767	S	S	*	*			cis	-128.3	-156.2	7.7	28.2	-0.1	0	0	0	111.6
411	T	28.7	Very low	29.5	Very low	105 Å²	105	129.6 Å²	129.6	64%	0.644	76%	0.758	S	S	*	*			cis	-167.9	135.5	25.9	-30.4	0	0	0	0	112.3
412	E	27.4	Very low	29.4	Very low	169 Å²	169	129.5 Å²	129.5	79%	0.79	75%	0.753	S	S	*	*			trans	54.1	170.7	150.9	-72	-176.4	-165	0	0	120.4
413	T	25.7	Very low	29.2	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	75%	0.746	S	S	*	*			cis	-140.8	151.9	5.8	-24.7	0	0	0	0	113.4
414	S	25.8	Very low	29	Very low	74 Å²	74	126.6 Å²	126.6	52%	0.517	74%	0.741	S	S	.	*			trans	-10.3	141	156	173.2	0	0	0	0	119.9
415	Y	27.1	Very low	28.9	Very low	197 Å²	197	129 Å²	129	77%	0.773	74%	0.738	S	S	*	*				-170.5	116.1	103.9	-100.5	-74.2	0	0	0	115
416	Q	31.6	Very low	29	Very low	152 Å²	152	134 Å²	134	71%	0.71	75%	0.745	S	S	*	*			trans	26.5	153.8	133.7	-52.4	-171.2	25.5	0	0	121.8
417	S	27.7	Very low	29	Very low	77 Å²	77	134.8 Å²	134.8	54%	0.538	74%	0.743	S	S	.	*			cis	-166.9	147	15	-135.6	0	0	0	0	114
418	R	29.3	Very low	29.1	Very low	234 Å²	234	139.5 Å²	139.5	88%	0.883	75%	0.745	S	S	*	*			trans	54.6	157.1	144.8	-65.1	170.9	168.5	173.2	-3.6	119.2
419	V	29.1	Very low	29.7	Very low	132 Å²	132	139.9 Å²	139.9	80%	0.8	74%	0.738	S	S	*	*			cis	-141.7	136.5	16.3	174.6	0	0	0	0	106.2
420	R	27.8	Very low	29.9	Very low	209 Å²	209	141.6 Å²	141.6	79%	0.789	74%	0.744	S	S	*	*			cis	76.6	91.6	44.1	-162.8	-175.5	177.6	165.4	2.4	118.5	E422	R420-E422 IonicContact CZ-OE1 3.72Å; R420-E422 VanDerWaalsContact CZ-OE1 3.26Å; R420-E422 IonicContact NE-OE1 2.79Å; R420-E422 PolarHBondContact NE-OE1 3.34Å; R420-E422 IonicContact NH2-OE1 2.7Å; R420-E422 PolarHBondContact NH2-OE1 3.42Å
421	A	27.7	Very low	29.4	Very low	88 Å²	88	140 Å²	140	73%	0.727	75%	0.747	S	S	*	*			trans	-174.6	132.8	138.3	0	0	0	0	0	107.3
422	E	27.5	Very low	30	Very low	145 Å²	145	139.3 Å²	139.3	68%	0.678	75%	0.747	S	S	*	*				68.3	128.9	58.5	-66.9	173.9	-134.8	0	0	113	R420	R420-E422 IonicContact CZ-OE1 3.72Å; R420-E422 VanDerWaalsContact CZ-OE1 3.26Å; R420-E422 IonicContact NE-OE1 2.79Å; R420-E422 PolarHBondContact NE-OE1 3.34Å; R420-E422 IonicContact NH2-OE1 2.7Å; R420-E422 PolarHBondContact NH2-OE1 3.42Å
423	S	27.8	Very low	30.5	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	75%	0.745	S	S	*	*			cis	-163.2	158.2	-5	97.2	0	0	0	0	113.7
424	L	29.1	Very low	31.2	Very low	152 Å²	152	137.5 Å²	137.5	80%	0.796	74%	0.741	S	S	*	*			trans	44.3	118.2	148.2	-58.5	170.8	0	0	0	121.9
425	R	27.8	Very low	31.7	Very low	214 Å²	214	140.3 Å²	140.3	81%	0.808	75%	0.746	S	S	*	*				176.6	172.3	105	-98.5	174.9	-173.7	-85.4	3.2	115.4
426	E	32.3	Very low	32.2	Very low	165 Å²	165	137.6 Å²	137.6	77%	0.771	74%	0.74	S	S	*	*			trans	-64.3	157.2	-169	-58.1	122	125.7	0	0	115.9
427	A	28.1	Very low	32.6	Very low	103 Å²	103	137.5 Å²	137.5	85%	0.851	74%	0.74	S	S	*	*			trans	-141.6	124.6	171.8	0	0	0	0	0	112.3
428	E	29.1	Very low	33.3	Very low	177 Å²	177	140.7 Å²	140.7	83%	0.827	75%	0.746	S	S	*	*			trans	-89.1	151.2	175.5	-82.6	-76.9	133.8	0	0	112.1
429	P	40	Very low	34.1	Very low	114 Å²	114	133.8 Å²	133.8	74%	0.74	73%	0.726	S	S	*	*			trans	-88.7	113.5	-175.4	33.5	-33.4	0	0	0	114.1	G431	P429-G431 PolarHBondContact O-N 3.5Å
430	T	31.1	Very low	34.7	Very low	143 Å²	143	133 Å²	133	88%	0.877	72%	0.717	S	S	*	*			trans	-95.7	91.2	172.6	52.1	0	0	0	0	112.7
431	G	37.8	Very low	35.4	Very low	77 Å²	77	129 Å²	129	79%	0.794	71%	0.711	S	S	*	*			trans	-105	9.1	-171.7	0	0	0	0	0	118.4	P429	P429-G431 PolarHBondContact O-N 3.5Å
432	S	40.5	Very low	36.2	Very low	91 Å²	91	131 Å²	131	64%	0.636	71%	0.705	S	S	*	*			trans	-90.3	-20.6	-165.3	65	0	0	0	0	117.4
433	K	37.8	Very low	36.8	Very low	171 Å²	171	129 Å²	129	74%	0.743	70%	0.695	S	S	*	*	H	α-helix	trans	-77.9	-31.4	-166.2	-72.6	-170.2	174.1	-176.3	0	115.8	H435	K433-H435 PolarHBondContact O-N 2.91Å
434	A	40.2	Very low	37.5	Very low	78 Å²	78	127.2 Å²	127.2	65%	0.645	69%	0.687	S	S	*	*	H	α-helix	trans	-66.2	-26.4	-176.4	0	0	0	0	0	113.4
435	H	37.4	Very low	38.2	Very low	132 Å²	132	125.6 Å²	125.6	61%	0.611	68%	0.678	S	S	*	*	H	α-helix	trans	-78.3	-31.8	-174.6	-158.7	-22.1	0	0	0	113.1	K433 I439	K433-H435 PolarHBondContact O-N 2.91Å; H435-I439 WeakPolarHBondContact O-CG1 3.13Å; H435-I439 PolarHBondContact O-N 2.86Å
436	E	36.3	Very low	39.4	Very low	141 Å²	141	119.8 Å²	119.8	66%	0.659	66%	0.662	S	S	*	*	H	α-helix	trans	-71.3	-42	-178.6	-76.6	-171	116.2	0	0	112.6	Q438 I439 N440	E436-Q438 VanDerWaalsContact C-N 3.33Å; E436-Q438 PolarHBondContact O-N 2.98Å; E436-I439 PolarHBondContact O-N 3.44Å; E436-N440 PolarHBondContact O-N 3.06Å
437	E	39.4	Very low	39.8	Very low	149 Å²	149	117.7 Å²	117.7	70%	0.696	66%	0.656	S	S	*	*	H	α-helix	trans	-62.7	-39.6	179.7	-68.3	-170.2	123.6	0	0	112	N440 L441	E437-N440 PolarHBondContact O-N 2.88Å; E437-L441 PolarHBondContact O-N 3.49Å
438	Q	43.2	Very low	40.7	Very low	145 Å²	145	117.1 Å²	117.1	68%	0.678	64%	0.639	S	S	*	*	H	α-helix	trans	-68.6	-35.6	-179.4	-163.4	168.1	9.4	0	0	112.6	E436 Q442	E436-Q438 VanDerWaalsContact C-N 3.33Å; E436-Q438 PolarHBondContact O-N 2.98Å; Q438-Q442 PolarHBondContact O-N 3.42Å
439	I	45.7	Very low	41.4	Very low	88 Å²	88	115.7 Å²	115.7	45%	0.451	63%	0.632	S	S	.	*	H	α-helix	trans	-66.8	-42.6	172.1	-67.8	170.1	0	0	0	110.5	H435 E436 L441 Q442 H443	H435-I439 WeakPolarHBondContact O-CG1 3.13Å; H435-I439 PolarHBondContact O-N 2.86Å; E436-I439 PolarHBondContact O-N 3.44Å; I439-L441 PolarHBondContact O-N 3.25Å; I439-Q442 PolarHBondContact O-N 3.05Å; I439-H443 PolarHBondContact O-N 2.94Å
440	N	42.2	Very low	41.5	Very low	116 Å²	116	113.2 Å²	113.2	62%	0.62	62%	0.617	S	S	*	*	H	α-helix	trans	-62.8	-41.9	-179.8	-123	-22.2	0	0	0	111.9	E436 E437 Q442 H443 A444	E436-N440 PolarHBondContact O-N 3.06Å; E437-N440 PolarHBondContact O-N 2.88Å; N440-Q442 VanDerWaalsContact C-N 3.3Å; N440-Q442 PolarHBondContact O-N 3.11Å; N440-H443 PolarHBondContact O-N 3.49Å; N440-A444 PolarHBondContact O-N 3.17Å
441	L	43.5	Very low	42.5	Very low	125 Å²	125	111.7 Å²	111.7	65%	0.654	60%	0.603	S	S	*	*	H	α-helix	trans	-58.9	-41.8	175.6	-133.3	77	0	0	0	112	E437 I439 A444 L445	E437-L441 PolarHBondContact O-N 3.49Å; I439-L441 PolarHBondContact O-N 3.25Å; L441-A444 PolarHBondContact O-N 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.35Å; L441-L445 PolarHBondContact O-N 2.88Å
442	Q	43.4	Very low	43.1	Very low	129 Å²	129	112.8 Å²	112.8	60%	0.603	59%	0.59	S	S	*	*	H	α-helix	trans	-71.3	-37.5	-179.4	-158.9	168.4	24.1	0	0	112.1	Q438 I439 N440 I446	Q438-Q442 PolarHBondContact O-N 3.42Å; I439-Q442 PolarHBondContact O-N 3.05Å; N440-Q442 VanDerWaalsContact C-N 3.3Å; N440-Q442 PolarHBondContact O-N 3.11Å; Q442-I446 WeakPolarHBondContact O-CD1 3.29Å; Q442-I446 VanDerWaalsContact O-CG1 3.32Å; Q442-I446 WeakPolarHBondContact O-CG1 3.33Å; Q442-I446 PolarHBondContact O-N 2.83Å
443	H	39.9	Very low	43.3	Very low	103 Å²	103	116.5 Å²	116.5	48%	0.477	59%	0.591	S	S	.	*	H	α-helix	trans	-63.3	-41.5	171.3	-99.7	-160.1	0	0	0	112.8	I439 N440 L445 I446 L447	I439-H443 PolarHBondContact O-N 2.94Å; N440-H443 PolarHBondContact O-N 3.49Å; H443-L445 PolarHBondContact O-N 2.95Å; H443-I446 PolarHBondContact O-N 3.26Å; H443-L447 PolarHBondContact O-N 3.36Å; H443-L447 VanDerWaalsContact O-N 3.11Å
444	A	41.9	Very low	44	Very low	59 Å²	59	114.3 Å²	114.3	49%	0.488	58%	0.584	S	S	.	*	H	α-helix	trans	-62.2	-40.7	178.2	0	0	0	0	0	112.6	N440 L441 N448	N440-A444 PolarHBondContact O-N 3.17Å; L441-A444 PolarHBondContact O-N 3.27Å; A444-N448 PolarHBondContact O-N 2.87Å
445	L	45.6	Very low	44.4	Very low	117 Å²	117	115.9 Å²	115.9	61%	0.613	58%	0.578	S	S	*	*	H	α-helix	trans	-65.6	-40.2	176.8	-73.4	167.6	0	0	0	112.7	L441 H443 N448 Q449	L441-L445 WeakPolarHBondContact O-CG 3.35Å; L441-L445 PolarHBondContact O-N 2.88Å; H443-L445 PolarHBondContact O-N 2.95Å; L445-N448 PolarHBondContact O-N 3.12Å; L445-Q449 PolarHBondContact O-N 3.28Å; L445-Q449 VanDerWaalsContact O-N 3.08Å
446	I	51.3	Low	45.1	Very low	93 Å²	93	115.5 Å²	115.5	48%	0.477	58%	0.576	S	S	.	*	H	α-helix	trans	-65.6	-43.4	178.4	-68.3	165.1	0	0	0	111	Q442 H443 N448 Q449 S450	Q442-I446 WeakPolarHBondContact O-CD1 3.29Å; Q442-I446 VanDerWaalsContact O-CG1 3.32Å; Q442-I446 WeakPolarHBondContact O-CG1 3.33Å; Q442-I446 PolarHBondContact O-N 2.83Å; H443-I446 PolarHBondContact O-N 3.26Å; I446-N448 VanDerWaalsContact C-N 3.35Å; I446-N448 PolarHBondContact O-N 2.88Å; I446-Q449 PolarHBondContact O-N 2.87Å; I446-S450 PolarHBondContact O-N 2.91Å; I446-S450 PolarHBondContact O-OG 3.03Å
447	L	40.9	Very low	45.9	Very low	120 Å²	120	114.2 Å²	114.2	63%	0.628	57%	0.569	S	S	*	*	H	α-helix	trans	-60.7	-43	176.6	-77.1	166.3	0	0	0	112	H443 Q449 S450 L451	H443-L447 PolarHBondContact O-N 3.36Å; H443-L447 VanDerWaalsContact O-N 3.11Å; L447-Q449 PolarHBondContact O-N 3.08Å; L447-S450 WeakPolarHBondContact CA-OG 3.36Å; L447-S450 PolarHBondContact O-N 3.43Å; L447-S450 PolarHBondContact O-OG 3.06Å; L447-L451 PolarHBondContact O-N 3.42Å
448	N	47.8	Very low	46.6	Very low	92 Å²	92	113.1 Å²	113.1	49%	0.492	56%	0.563	S	S	.	*	H	α-helix	trans	-63.2	-40.3	177.2	-162.9	13.4	0	0	0	112	A444 L445 I446 L451 L452	A444-N448 PolarHBondContact O-N 2.87Å; L445-N448 PolarHBondContact O-N 3.12Å; I446-N448 VanDerWaalsContact C-N 3.35Å; I446-N448 PolarHBondContact O-N 2.88Å; N448-L451 PolarHBondContact O-N 2.92Å; N448-L452 PolarHBondContact O-N 3.36Å; N448-L452 VanDerWaalsContact O-N 3.14Å
449	Q	42.8	Very low	47.2	Very low	146 Å²	146	110.8 Å²	110.8	68%	0.682	56%	0.555	S	S	*	*	H	α-helix	trans	-64.3	-39.8	175.2	-173.4	171.9	82.5	0	0	112.5	L445 I446 L447 Y453	L445-Q449 PolarHBondContact O-N 3.28Å; L445-Q449 VanDerWaalsContact O-N 3.08Å; I446-Q449 PolarHBondContact O-N 2.87Å; L447-Q449 PolarHBondContact O-N 3.08Å; Q449-Y453 PolarHBondContact O-N 3.35Å
450	S	44.1	Very low	47.4	Very low	63 Å²	63	112.8 Å²	112.8	44%	0.441	56%	0.563	S	S	.	*	H	α-helix	trans	-65.6	-37.3	174.8	58.4	0	0	0	0	113.2	I446 L447 Y453 E454	I446-S450 PolarHBondContact O-N 2.91Å; I446-S450 PolarHBondContact O-OG 3.03Å; L447-S450 WeakPolarHBondContact CA-OG 3.36Å; L447-S450 PolarHBondContact O-N 3.43Å; L447-S450 PolarHBondContact O-OG 3.06Å; S450-Y453 PolarHBondContact O-N 2.89Å; S450-E454 PolarHBondContact O-N 3.47Å
451	L	50.8	Low	48.1	Very low	110 Å²	110	112.5 Å²	112.5	58%	0.576	56%	0.558	S	S	*	*	H	α-helix	trans	-66	-40.7	178.9	-172.9	67	0	0	0	112.1	L447 N448 E454 Q455	L447-L451 PolarHBondContact O-N 3.42Å; N448-L451 PolarHBondContact O-N 2.92Å; L451-E454 PolarHBondContact O-N 3.2Å; L451-Q455 WeakPolarHBondContact O-CB 3.24Å; L451-Q455 PolarHBondContact O-N 2.59Å
452	L	50.7	Low	48.2	Very low	100 Å²	100	111.8 Å²	111.8	52%	0.524	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-42	174.6	-74.7	165.4	0	0	0	112.2	N448 Q455 Q456	N448-L452 PolarHBondContact O-N 3.36Å; N448-L452 VanDerWaalsContact O-N 3.14Å; L452-Q455 PolarHBondContact O-N 3.4Å; L452-Q456 WeakPolarHBondContact O-CB 3.4Å; L452-Q456 PolarHBondContact O-N 3.04Å
453	Y	44.1	Very low	48.4	Very low	169 Å²	169	110.7 Å²	110.7	66%	0.663	55%	0.547	S	S	*	.	H	α-helix	trans	-63.9	-41	177.1	-177.7	-107.3	0	0	0	112.3	Q449 S450 Q456 K457	Q449-Y453 PolarHBondContact O-N 3.35Å; S450-Y453 PolarHBondContact O-N 2.89Å; Y453-Q456 PolarHBondContact O-N 3.33Å; Y453-K457 PolarHBondContact O-N 2.91Å; Y453-K457 VanDerWaalsContact O-N 3.08Å
454	E	53.2	Low	48.6	Very low	125 Å²	125	111.9 Å²	111.9	58%	0.584	55%	0.553	S	S	*	*	H	α-helix	trans	-70.1	-36.5	178.5	-165.2	149.2	-121.2	0	0	112.3	S450 L451 K457 Q458	S450-E454 PolarHBondContact O-N 3.47Å; L451-E454 PolarHBondContact O-N 3.2Å; E454-K457 WeakPolarHBondContact O-CB 3.33Å; E454-K457 PolarHBondContact O-N 2.9Å; E454-Q458 PolarHBondContact O-N 3.31Å; E454-Q458 VanDerWaalsContact O-N 3.09Å
455	Q	47.7	Very low	48.8	Very low	111 Å²	111	114.9 Å²	114.9	52%	0.519	56%	0.557	S	S	.	*	H	α-helix	trans	-63.4	-43.3	171.3	-174.9	178.4	104.6	0	0	112.4	L451 L452 K457 Q458 L459	L451-Q455 WeakPolarHBondContact O-CB 3.24Å; L451-Q455 PolarHBondContact O-N 2.59Å; L452-Q455 PolarHBondContact O-N 3.4Å; Q455-K457 VanDerWaalsContact C-N 3.29Å; Q455-K457 PolarHBondContact O-N 3.48Å; Q455-Q458 PolarHBondContact O-N 3.07Å; Q455-L459 PolarHBondContact O-N 3.44Å
456	Q	52	Low	48.6	Very low	124 Å²	124	114.2 Å²	114.2	58%	0.579	55%	0.552	S	S	*	*	H	α-helix	trans	-63.4	-36.9	177.3	-167.5	176.5	26.1	0	0	111.9	L452 Y453 L459 Q460	L452-Q456 WeakPolarHBondContact O-CB 3.4Å; L452-Q456 PolarHBondContact O-N 3.04Å; Y453-Q456 PolarHBondContact O-N 3.33Å; Q456-L459 PolarHBondContact O-N 3.24Å; Q456-Q460 PolarHBondContact O-N 2.96Å; Q456-Q460 VanDerWaalsContact O-N 3.17Å
457	K	54.9	Low	48.2	Very low	115 Å²	115	116.6 Å²	116.6	50%	0.5	56%	0.561	S	S	.	*	H	α-helix	trans	-65.2	-40.3	174.4	-173.4	-178.4	176.5	-171.2	0	112.5	Y453 E454 Q455 Q460 Q461	Y453-K457 PolarHBondContact O-N 2.91Å; Y453-K457 VanDerWaalsContact O-N 3.08Å; E454-K457 WeakPolarHBondContact O-CB 3.33Å; E454-K457 PolarHBondContact O-N 2.9Å; Q455-K457 VanDerWaalsContact C-N 3.29Å; Q455-K457 PolarHBondContact O-N 3.48Å; K457-Q460 PolarHBondContact O-N 3.1Å; K457-Q461 PolarHBondContact O-N 2.86Å; K457-Q461 VanDerWaalsContact O-N 3.13Å
458	Q	53.8	Low	48.2	Very low	125 Å²	125	116.1 Å²	116.1	58%	0.584	56%	0.563	S	S	*	*	H	α-helix	trans	-63.5	-39.9	172.9	-76	-175.1	-32.3	0	0	112.3	E454 Q455 Q460 Q461 M462	E454-Q458 PolarHBondContact O-N 3.31Å; E454-Q458 VanDerWaalsContact O-N 3.09Å; Q455-Q458 PolarHBondContact O-N 3.07Å; Q458-Q460 VanDerWaalsContact C-N 3.3Å; Q458-Q460 PolarHBondContact O-N 3.24Å; Q458-Q461 PolarHBondContact O-N 3.25Å; Q458-M462 PolarHBondContact O-N 2.68Å
459	L	54.5	Low	47.8	Very low	97 Å²	97	119 Å²	119	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-64.1	-31.2	176.7	-77.9	164.9	0	0	0	113.4	Q455 Q456 H463	Q455-L459 PolarHBondContact O-N 3.44Å; Q456-L459 PolarHBondContact O-N 3.24Å; L459-H463 PolarHBondContact O-N 2.7Å; L459-H463 PolarHBondContact O-ND1 3.45Å
460	Q	51.6	Low	47.6	Very low	130 Å²	130	115.6 Å²	115.6	61%	0.607	57%	0.574	S	S	*	*	H	α-helix	trans	-73.3	-39.4	171.5	-76.7	-174.2	-16.4	0	0	112.8	Q456 K457 Q458 M462 H463 Q464	Q456-Q460 PolarHBondContact O-N 2.96Å; Q456-Q460 VanDerWaalsContact O-N 3.17Å; K457-Q460 PolarHBondContact O-N 3.1Å; Q458-Q460 VanDerWaalsContact C-N 3.3Å; Q458-Q460 PolarHBondContact O-N 3.24Å; Q460-M462 VanDerWaalsContact C-N 3.33Å; Q460-M462 PolarHBondContact O-N 3.35Å; Q460-H463 PolarHBondContact O-N 3.2Å; Q460-Q464 PolarHBondContact O-N 2.97Å; Q460-Q464 VanDerWaalsContact O-N 3.09Å
461	Q	56.2	Low	47.2	Very low	110 Å²	110	118 Å²	118	51%	0.514	59%	0.586	S	S	.	*	H	α-helix	trans	-64.9	-37.7	174.9	-70.6	-172.5	-51.7	0	0	112	K457 Q458 H463 Q464 Q465	K457-Q461 PolarHBondContact O-N 2.86Å; K457-Q461 VanDerWaalsContact O-N 3.13Å; Q458-Q461 PolarHBondContact O-N 3.25Å; Q461-H463 PolarHBondContact O-N 2.94Å; Q461-Q464 PolarHBondContact O-N 3.2Å; Q461-Q465 WeakPolarHBondContact O-CG 3.48Å; Q461-Q465 PolarHBondContact O-N 3.06Å
462	M	44.4	Very low	46.5	Very low	110 Å²	110	118.1 Å²	118.1	54%	0.542	59%	0.593	S	S	.	*	H	α-helix	trans	-58.5	-42.3	170.7	-85.7	-76.4	-68.3	0	0	112.7	Q458 Q460 Q465 M466	Q458-M462 PolarHBondContact O-N 2.68Å; Q460-M462 VanDerWaalsContact C-N 3.33Å; Q460-M462 PolarHBondContact O-N 3.35Å; M462-Q465 PolarHBondContact O-N 2.96Å; M462-M466 PolarHBondContact O-N 3.45Å
463	H	48.3	Very low	45.6	Very low	106 Å²	106	119.6 Å²	119.6	49%	0.491	61%	0.606	S	S	.	*	H	α-helix	trans	-65.3	-45.9	177	-84.3	84.4	0	0	0	112.4	L459 Q460 Q461 Q465 M466 E467	L459-H463 PolarHBondContact O-N 2.7Å; L459-H463 PolarHBondContact O-ND1 3.45Å; Q460-H463 PolarHBondContact O-N 3.2Å; Q461-H463 PolarHBondContact O-N 2.94Å; H463-Q465 PolarHBondContact O-N 3.2Å; H463-M466 PolarHBondContact O-N 3.01Å; H463-E467 PolarHBondContact O-N 3Å
464	Q	44.3	Very low	44.9	Very low	127 Å²	127	121 Å²	121	59%	0.593	62%	0.616	S	S	*	*	H	α-helix	trans	-63.1	-29.6	176.8	-70	-178.8	-11.9	0	0	112.7	Q460 Q461 T468	Q460-Q464 PolarHBondContact O-N 2.97Å; Q460-Q464 VanDerWaalsContact O-N 3.09Å; Q461-Q464 PolarHBondContact O-N 3.2Å; Q464-T468 PolarHBondContact O-N 3.07Å; Q464-T468 VanDerWaalsContact O-N 3.15Å; Q464-T468 PolarHBondContact O-OG1 3.27Å
465	Q	46.2	Very low	43.8	Very low	122 Å²	122	126.6 Å²	126.6	57%	0.57	63%	0.632	S	S	*	*	H	α-helix	trans	-74	-31.5	172.3	-74.4	-178.3	-8.3	0	0	113.3	Q461 M462 H463 T468 L469	Q461-Q465 WeakPolarHBondContact O-CG 3.48Å; Q461-Q465 PolarHBondContact O-N 3.06Å; M462-Q465 PolarHBondContact O-N 2.96Å; H463-Q465 PolarHBondContact O-N 3.2Å; Q465-T468 WeakPolarHBondContact CA-OG1 3.39Å; Q465-T468 PolarHBondContact O-OG1 2.85Å; Q465-L469 WeakPolarHBondContact O-CD1 3.49Å; Q465-L469 WeakPolarHBondContact O-CG 3.13Å
466	M	42.4	Very low	42.8	Very low	104 Å²	104	125.2 Å²	125.2	51%	0.512	65%	0.647	S	S	.	*	H	α-helix	trans	-69.8	-43.6	169.9	-72.1	-167.3	-63.4	0	0	111.9	M462 H463 T468 L469 A470	M462-M466 PolarHBondContact O-N 3.45Å; H463-M466 PolarHBondContact O-N 3.01Å; M466-T468 VanDerWaalsContact C-N 3.3Å; M466-T468 PolarHBondContact O-N 2.86Å; M466-L469 PolarHBondContact O-N 2.93Å; M466-L469 VanDerWaalsContact O-N 3.1Å; M466-A470 PolarHBondContact O-N 2.8Å
467	E	40.9	Very low	41.7	Very low	143 Å²	143	123.5 Å²	123.5	67%	0.668	66%	0.663	S	S	*	*	H	α-helix	trans	-63	-35.8	179.5	-70.3	-179.7	141.3	0	0	112.3	H463 L469 A470	H463-E467 PolarHBondContact O-N 3Å; E467-L469 VanDerWaalsContact C-N 3.28Å; E467-L469 PolarHBondContact O-N 3.19Å; E467-A470 PolarHBondContact O-N 3.11Å
468	T	42.7	Very low	40.4	Very low	110 Å²	110	121.3 Å²	121.3	68%	0.675	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-8.2	175.8	43.7	0	0	0	0	114.7	Q464 Q465 M466	Q464-T468 PolarHBondContact O-N 3.07Å; Q464-T468 VanDerWaalsContact O-N 3.15Å; Q464-T468 PolarHBondContact O-OG1 3.27Å; Q465-T468 WeakPolarHBondContact CA-OG1 3.39Å; Q465-T468 PolarHBondContact O-OG1 2.85Å; M466-T468 VanDerWaalsContact C-N 3.3Å; M466-T468 PolarHBondContact O-N 2.86Å
469	L	39.1	Very low	39.9	Very low	152 Å²	152	121.8 Å²	121.8	80%	0.796	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-6.3	171.9	-73.4	168.5	0	0	0	113.4	Q465 M466 E467 V471	Q465-L469 WeakPolarHBondContact O-CD1 3.49Å; Q465-L469 WeakPolarHBondContact O-CG 3.13Å; M466-L469 PolarHBondContact O-N 2.93Å; M466-L469 VanDerWaalsContact O-N 3.1Å; E467-L469 VanDerWaalsContact C-N 3.28Å; E467-L469 PolarHBondContact O-N 3.19Å; L469-V471 PolarHBondContact O-N 3.4Å
470	A	37.2	Very low	38.7	Very low	74 Å²	74	121 Å²	121	61%	0.612	70%	0.695	S	S	*	*			trans	-94.8	50.5	-173.1	0	0	0	0	0	114.1	M466 E467	M466-A470 PolarHBondContact O-N 2.8Å; E467-A470 PolarHBondContact O-N 3.11Å
471	V	36.4	Very low	37.6	Very low	114 Å²	114	120.5 Å²	120.5	69%	0.691	70%	0.704	S	S	*	*			trans	-107.4	115	174.8	-178.2	0	0	0	0	110.6	L469 V473	L469-V471 PolarHBondContact O-N 3.4Å; V471-V473 PolarHBondContact O-N 3.4Å
472	P	35.4	Very low	36.4	Very low	112 Å²	112	121.5 Å²	121.5	73%	0.727	72%	0.717	S	S	*	*			trans	-69.7	118.9	176.6	-18	31.6	0	0	0	111.9
473	V	32.3	Very low	36.5	Very low	132 Å²	132	122 Å²	122	80%	0.8	73%	0.729	S	S	*	*			trans	-80.2	119.1	169	175.8	0	0	0	0	109.2	V471	V471-V473 PolarHBondContact O-N 3.4Å
474	F	30.4	Very low	35.5	Very low	199 Å²	199	120.8 Å²	120.8	87%	0.873	75%	0.745	S	S	*	*			trans	-114.6	133.4	165	-107.6	-87.6	0	0	0	111
475	R	29.3	Very low	34.7	Very low	242 Å²	242	118.5 Å²	118.5	91%	0.913	76%	0.756	S	S	*	*			trans	-99.1	144.6	173.3	-77.8	-177.4	167.5	-155.3	-0.6	110.2
476	G	27.8	Very low	33.9	Very low	81 Å²	81	121.5 Å²	121.5	84%	0.835	77%	0.77	S	S	*	*			trans	139.9	114.4	146.8	0	0	0	0	0	116.7
477	G	27.8	Very low	33.4	Very low	88 Å²	88	128.2 Å²	128.2	91%	0.907	79%	0.789	S	S	*	*			trans	88.2	120.2	157.7	0	0	0	0	0	117.1
478	G	26.6	Very low	32.8	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	79%	0.786	S	S	*	*			trans	-115.6	-164.5	159	0	0	0	0	0	110.1
479	P	45	Very low	32.3	Very low	134 Å²	134	127 Å²	127	87%	0.87	79%	0.793	S	S	*	*			cis	-100.4	-146.5	12.7	27.7	-8.2	0	0	0	110.9
480	A	28.7	Very low	31.9	Very low	81 Å²	81	124.4 Å²	124.4	67%	0.669	79%	0.787	S	S	*	*			cis	-159.3	-149.9	13.4	0	0	0	0	0	114.4
481	C	27.7	Very low	31.9	Very low	120 Å²	120	131.9 Å²	131.9	81%	0.811	80%	0.799	S	S	*	*			trans	-43.7	129.4	-177.7	-51.7	0	0	0	0	114.8
482	V	31	Very low	31.6	Very low	130 Å²	130	131.9 Å²	131.9	79%	0.788	80%	0.8	S	S	*	*			cis	69.2	125.6	38.1	-170.1	0	0	0	0	112.4
483	P	47.2	Very low	31.4	Very low	121 Å²	121	136.2 Å²	136.2	79%	0.786	80%	0.801	S	S	*	*			cis	-144.2	178.2	-25.8	41.4	-24	0	0	0	116.1
484	G	27.4	Very low	31.1	Very low	81 Å²	81	135.4 Å²	135.4	84%	0.835	80%	0.802	S	S	*	*			trans	102.8	167.7	131.4	0	0	0	0	0	119.6
485	G	28.2	Very low	31.3	Very low	79 Å²	79	133.8 Å²	133.8	81%	0.814	80%	0.801	S	S	*	*			trans	119.4	87.7	174.2	0	0	0	0	0	115
486	H	29.4	Very low	33	Very low	185 Å²	185	127.8 Å²	127.8	86%	0.856	79%	0.794	S	S	*	*			trans	-90.6	175.8	168.8	-65.7	-84.2	0	0	0	111.9
487	R	30.8	Very low	33	Very low	244 Å²	244	128.9 Å²	128.9	92%	0.921	80%	0.795	S	S	*	*			trans	78.2	152.2	157	-74.9	-171.9	157.5	172	-6.6	116.9
488	A	28.2	Very low	33.5	Very low	73 Å²	73	130.2 Å²	130.2	60%	0.603	79%	0.79	S	S	*	*			cis	-167.7	164.2	-13.4	0	0	0	0	0	112.7
489	L	32.3	Very low	33.5	Very low	156 Å²	156	133.2 Å²	133.2	82%	0.817	80%	0.795	S	S	*	*			trans	40.5	110.8	141.7	-62.3	166.7	0	0	0	118.5
490	S	31.8	Very low	32.8	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	79%	0.786	S	S	*	*				91.2	121.4	61.5	-77.2	0	0	0	0	116
491	R	35.8	Very low	32.9	Very low	232 Å²	232	135 Å²	135	88%	0.875	79%	0.793	S	S	*	*			trans	72.5	153.4	151.9	-68.6	179.2	172.2	177.7	-3.2	116.6
492	T	30.9	Very low	32.9	Very low	114 Å²	114	135.2 Å²	135.2	70%	0.699	79%	0.79	S	S	*	*			cis	-150.7	161	12.7	-17.8	0	0	0	0	112.6
493	R	30.3	Very low	32.8	Very low	202 Å²	202	134.5 Å²	134.5	76%	0.762	79%	0.791	S	S	*	*			trans	21.9	145.1	143.1	-77.5	173.5	172.7	-175.2	-5.4	119.9
494	S	27.5	Very low	32.6	Very low	116 Å²	116	134.4 Å²	134.4	81%	0.811	79%	0.79	S	S	*	*			cis	-162.4	167.4	19.3	32.7	0	0	0	0	114
495	L	33.7	Very low	32.8	Very low	165 Å²	165	140 Å²	140	86%	0.864	80%	0.795	S	S	*	*			trans	-93.8	177.9	171.1	-73.3	170.1	0	0	0	111.7
496	P	65.4	Low	33.2	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	80%	0.795	S	S	*	*			cis	-132.1	176.1	-33.8	34.3	-17.5	0	0	0	113.4
497	A	26.7	Very low	33.2	Very low	104 Å²	104	140.9 Å²	140.9	86%	0.86	79%	0.792	S	S	*	*			trans	-151.3	140.4	152.2	0	0	0	0	0	110.4
498	S	38.6	Very low	33.8	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	79%	0.792	S	S	*	*			trans	-105.8	132.3	-178.2	-54.2	0	0	0	0	111.5
499	T	27.8	Very low	33.7	Very low	133 Å²	133	139.5 Å²	139.5	82%	0.816	80%	0.801	S	S	*	*			trans	-166	125.2	151	25.9	0	0	0	0	112.7
500	S	30.2	Very low	33.8	Very low	98 Å²	98	140 Å²	140	69%	0.685	80%	0.804	S	S	*	*				66.2	134.3	127.1	-51.1	0	0	0	0	123.4
501	L	30	Very low	33.7	Very low	156 Å²	156	141.3 Å²	141.3	82%	0.817	81%	0.807	S	S	*	*			trans	85	118	147.4	-67.4	158.1	0	0	0	120.9
502	T	28.5	Very low	33.9	Very low	123 Å²	123	134.7 Å²	134.7	76%	0.755	80%	0.802	S	S	*	*			trans	18.7	135.8	135.8	58.2	0	0	0	0	118.9
503	S	27.8	Very low	34	Very low	115 Å²	115	136.6 Å²	136.6	80%	0.804	80%	0.804	S	S	*	*				-158.9	180	52.8	59.9	0	0	0	0	112.4
504	P	44.3	Very low	34.4	Very low	119 Å²	119	134.2 Å²	134.2	77%	0.773	81%	0.806	S	S	*	*			trans	-99.5	156.6	-167.2	38.1	-33.3	0	0	0	114.8
505	E	29.6	Very low	34.9	Very low	198 Å²	198	134 Å²	134	93%	0.925	80%	0.799	S	S	*	*			trans	-150.7	152.4	152.4	-137.7	163.4	-139.4	0	0	111.7
506	N	37.9	Very low	35.5	Very low	153 Å²	153	132.2 Å²	132.2	82%	0.818	80%	0.795	S	S	*	*			trans	-97.1	132.8	-169.1	-67.6	-59	0	0	0	112.6
507	T	29.9	Very low	35.2	Very low	131 Å²	131	131.5 Å²	131.5	80%	0.804	79%	0.793	S	S	*	*				-163.5	126.1	128.7	3.7	0	0	0	0	114.2
508	L	42	Very low	36.8	Very low	174 Å²	174	135.3 Å²	135.3	91%	0.911	79%	0.79	S	S	*	*			trans	17	112	146.3	-57	172.9	0	0	0	118.6
509	S	27	Very low	38.2	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	78%	0.78	S	S	*	*			trans	-138.3	146.3	152.8	-171.6	0	0	0	0	109.4	T511	S509-T511 PolarHBondContact O-N 3.19Å
510	L	34.4	Very low	40.9	Very low	167 Å²	167	135.6 Å²	135.6	87%	0.874	77%	0.771	S	S	*	*			trans	-72	121.3	-174.4	-71.2	88.8	0	0	0	110.8	A512	L510-A512 VanDerWaalsContact C-N 3.31Å; L510-A512 PolarHBondContact O-N 2.91Å
511	T	29.7	Very low	44	Very low	122 Å²	122	137.5 Å²	137.5	75%	0.748	77%	0.767	S	S	*	*			trans	-73.3	85.3	168.8	42.7	0	0	0	0	110.5	S509 Q513	S509-T511 PolarHBondContact O-N 3.19Å; T511-Q513 VanDerWaalsContact C-N 3.29Å; T511-Q513 PolarHBondContact O-N 2.72Å
512	A	38.9	Very low	47.2	Very low	93 Å²	93	131.2 Å²	131.2	77%	0.769	74%	0.735	S	S	*	*			trans	-58.3	101.6	148.4	0	0	0	0	0	107	L510 D514	L510-A512 VanDerWaalsContact C-N 3.31Å; L510-A512 PolarHBondContact O-N 2.91Å; A512-D514 VanDerWaalsContact C-N 3.3Å; A512-D514 PolarHBondContact O-N 2.83Å
513	Q	34.1	Very low	50.5	Low	155 Å²	155	125.4 Å²	125.4	72%	0.724	70%	0.699	S	S	*	*			trans	-74.2	88.5	176	-71.2	-172.1	-13.5	0	0	108.9	T511 T515	T511-Q513 VanDerWaalsContact C-N 3.29Å; T511-Q513 PolarHBondContact O-N 2.72Å; Q513-T515 HydrophobicContact CB-CG2 4.11Å; Q513-T515 PolarHBondContact O-N 3.29Å
514	D	37.9	Very low	53.9	Low	152 Å²	152	119.9 Å²	119.9	81%	0.813	66%	0.661	S	S	*	*			trans	-60.8	85	151.3	-91.3	-29.4	0	0	0	107.3	A512 V516	A512-D514 VanDerWaalsContact C-N 3.3Å; A512-D514 PolarHBondContact O-N 2.83Å; D514-V516 PolarHBondContact O-N 2.89Å
515	T	38.1	Very low	56.5	Low	110 Å²	110	114.3 Å²	114.3	68%	0.675	62%	0.624	S	S	*	*			trans	-70.3	78.9	168.9	47.6	0	0	0	0	107.6	Q513 S517	Q513-T515 HydrophobicContact CB-CG2 4.11Å; Q513-T515 PolarHBondContact O-N 3.29Å; T515-S517 PolarHBondContact O-N 3.13Å
516	V	46.2	Very low	59.8	Low	128 Å²	128	104.9 Å²	104.9	78%	0.776	58%	0.58	S	S	*	*			trans	-61.7	87.7	163.4	-178.5	0	0	0	0	106.4	D514 K518	D514-V516 PolarHBondContact O-N 2.89Å; V516-K518 PolarHBondContact O-N 3.29Å
517	S	59.5	Low	62.7	Low	101 Å²	101	99.5 Å²	99.5	71%	0.706	55%	0.549	S	S	*	.			trans	-56.6	113.8	179.1	52	0	0	0	0	107.5	T515	T515-S517 PolarHBondContact O-N 3.13Å
518	K	60.3	Low	65.9	Low	185 Å²	185	94.7 Å²	94.7	80%	0.804	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-53.9	128.3	176.5	-66.1	-178.2	179.5	-179.7	0	107.6	V516 R520	V516-K518 PolarHBondContact O-N 3.29Å; K518-R520 PolarHBondContact O-N 2.92Å
519	P	67.8	Low	68.6	Low	91 Å²	91	89.7 Å²	89.7	59%	0.591	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-56.3	131.6	-178.5	23.8	-33.6	0	0	0	108.9
520	R	84.3	Confident	71.9	Confident	162 Å²	162	86.9 Å²	86.9	61%	0.611	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-74.2	135.3	-177.3	-61.2	172.9	68.3	-179.6	-0.6	108.4	K518 T522 E568	K518-R520 PolarHBondContact O-N 2.92Å; R520-T522 HydrophobicContact CB-CG2 3.91Å; R520-T522 PolarHBondContact O-N 3.36Å; R520-E568 HydrophobicContact CB-CG 4.36Å; R520-E568 VanDerWaalsContact CB-OE1 3.32Å; R520-E568 WeakPolarHBondContact CB-OE1 3.25Å; R520-E568 WeakPolarHBondContact CG-OE1 3.48Å; R520-E568 PolarHBondContact N-OE1 2.83Å
521	F	95.2	Very high	75	Confident	139 Å²	139	78.9 Å²	78.9	61%	0.61	43%	0.43	S	S	*	.	S	Bend	trans	-73.2	80.2	171	-172	-103.3	0	0	0	109.6	G658 L660 K661	F521-G658 WeakPolarHBondContact CD2-O 3.47Å; F521-G658 WeakPolarHBondContact CE2-O 3.47Å; F521-L660 VanDerWaalsContact CE2-C 3.47Å; F521-L660 WeakPolarHBondContact CE2-O 3.29Å; F521-K661 HydrophobicContact CD1-CB 4.24Å; F521-K661 HydrophobicContact CE1-CB 3.9Å; F521-K661 HydrophobicContact CE1-CG 4.21Å; F521-K661 HydrophobicContact CE2-CB 4.37Å; F521-K661 HydrophobicContact CZ-CB 3.97Å; F521-K661 HydrophobicContact CZ-CG 4.44Å
522	T	97.6	Very high	78.2	Confident	24 Å²	24	74.9 Å²	74.9	15%	0.147	40%	0.404	C	S	.	.	S	Bend	trans	-140.8	-171.4	-176.3	-169.7	0	0	0	0	109.3	R520 Q566 E568 K661	R520-T522 HydrophobicContact CB-CG2 3.91Å; R520-T522 PolarHBondContact O-N 3.36Å; T522-Q566 PolarHBondContact OG1-O 3.22Å; T522-E568 HydrophobicContact CG2-CB 4.46Å; T522-E568 HydrophobicContact CG2-CG 3.75Å; T522-K661 PolarHBondContact O-N 2.89Å
523	T	98.7	Very high	80.9	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.8	174.3	-54.1	0	0	0	0	111.4	C567 E568 N662 L862 L863	T523-C567 CarbonylContact O-C 3.59Å; T523-C567 WeakPolarHBondContact O-CA 3.28Å; T523-C567 WeakPolarHBondContact O-CB 3.36Å; T523-E568 PolarHBondContact O-N 3.34Å; T523-N662 CarbonylContact C-O 3.51Å; T523-N662 WeakPolarHBondContact CA-O 3.43Å; T523-N662 VanDerWaalsContact CA-OD1 3.23Å; T523-N662 WeakPolarHBondContact CA-OD1 3.4Å; T523-N662 WeakPolarHBondContact CB-OD1 3.27Å; T523-N662 PolarHBondContact OG1-OD1 2.81Å; T523-L862 HydrophobicContact CG2-CB 3.67Å; T523-L862 HydrophobicContact CG2-CD1 4Å; T523-L862 HydrophobicContact CG2-CG 4.45Å; T523-L862 PolarHBondContact OG1-O 3.35Å; T523-L863 PolarHBondContact OG1-N 2.87Å
524	G	98.6	Very high	83.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.6	169.1	0	0	0	0	0	112.7	E568 N662 G663 F664	G524-E568 WeakPolarHBondContact CA-O 3.5Å; G524-N662 PolarHBondContact N-O 3.02Å; G524-G663 CarbonylContact O-C 3.59Å; G524-G663 WeakPolarHBondContact O-CA 3.49Å; G524-F664 PolarHBondContact O-N 2.85Å
525	L	98.8	Very high	86.5	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.7	168.1	-64.1	177.5	0	0	0	110	W555 L558 R564 C567 E568 I570 F664 V859	L525-W555 HydrophobicContact CB-CZ3 4.08Å; L525-W555 HydrophobicContact CD1-CZ3 4.46Å; L525-L558 HydrophobicContact CD1-CD1 4.26Å; L525-L558 HydrophobicContact CD2-CD1 4.39Å; L525-R564 HydrophobicContact CD1-CB 4.35Å; L525-R564 HydrophobicContact CD1-CG 4.41Å; L525-C567 HydrophobicContact CB-CB 4.44Å; L525-C567 HydrophobicContact CD1-CB 3.7Å; L525-C567 HydrophobicContact CG-CB 3.63Å; L525-E568 PolarHBondContact N-O 2.83Å; L525-I570 PolarHBondContact O-N 2.98Å; L525-F664 WeakPolarHBondContact CA-O 3.39Å; L525-F664 HydrophobicContact CD2-CB 3.82Å; L525-V859 HydrophobicContact CD2-CG1 4.25Å; L525-V859 HydrophobicContact CD2-CG2 3.91Å
526	V	98.6	Very high	89.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.6	173.6	69.1	0	0	0	0	111.6	I570 L651 F664 A665 V666	V526-I570 HydrophobicContact CB-CB 4.18Å; V526-I570 HydrophobicContact CG2-CB 4.43Å; V526-I570 HydrophobicContact CG2-CG2 4.48Å; V526-L651 HydrophobicContact CG1-CB 4.14Å; V526-L651 HydrophobicContact CG1-CD2 4.03Å; V526-F664 PolarHBondContact N-O 3.38Å; V526-A665 HydrophobicContact CG1-CB 3.45Å; V526-A665 VanDerWaalsContact CG1-CB 3.45Å; V526-V666 PolarHBondContact O-N 3.36Å
527	Y	98.6	Very high	91.3	Very high	41 Å²	41	58.4 Å²	58.4	16%	0.161	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	147.3	-178.5	170.6	-97.8	0	0	0	109.6	I551 W555 V666	Y527-I551 HydrophobicContact CD2-CD1 4.39Å; Y527-I551 HydrophobicContact CE2-CB 4.17Å; Y527-I551 HydrophobicContact CE2-CD1 3.85Å; Y527-I551 HydrophobicContact CE2-CG1 4.18Å; Y527-W555 VanDerWaalsContact CB-CZ3 3.5Å; Y527-W555 AromaticContact CD1-CD1 3.93Å; Y527-W555 AromaticContact CD1-CD2 3.68Å; Y527-W555 HydrophobicContact CD1-CD2 3.68Å; Y527-W555 AromaticContact CD1-CE2 3.56Å; Y527-W555 HydrophobicContact CD1-CE3 4.26Å; Y527-W555 AromaticContact CD1-CG 3.87Å; Y527-W555 HydrophobicContact CD1-CG 3.87Å; Y527-W555 AromaticContact CD1-CZ2 3.99Å; Y527-W555 HydrophobicContact CD1-CZ2 3.99Å; Y527-W555 AromaticContact CD1-NE1 3.74Å; Y527-W555 HydrophobicContact CD2-CB 4.1Å; Y527-W555 HydrophobicContact CD2-CD2 4.14Å; Y527-W555 HydrophobicContact CD2-CE3 4.28Å; Y527-W555 HydrophobicContact CD2-CG 4.1Å; Y527-W555 AromaticContact CE1-CD1 3.7Å; Y527-W555 HydrophobicContact CE1-CD2 4.2Å; Y527-W555 AromaticContact CE1-CG 3.9Å; Y527-W555 HydrophobicContact CE1-CG 3.9Å; Y527-W555 AromaticContact CE1-NE1 3.83Å; Y527-W555 HydrophobicContact CE2-CB 3.92Å; Y527-W555 HydrophobicContact CE2-CG 4.12Å; Y527-W555 HydrophobicContact CG-CB 4.46Å; Y527-W555 AromaticContact CG-CD2 3.64Å; Y527-W555 HydrophobicContact CG-CD2 3.64Å; Y527-W555 AromaticContact CG-CE2 3.96Å; Y527-W555 AromaticContact CG-CE3 3.8Å; Y527-W555 HydrophobicContact CG-CE3 3.8Å; Y527-W555 AromaticContact CG-CG 3.97Å; Y527-W555 HydrophobicContact CG-CG 3.97Å; Y527-W555 HydrophobicContact CG-CH2 4.48Å; Y527-W555 HydrophobicContact CG-CZ2 4.34Å; Y527-W555 HydrophobicContact CG-CZ3 4.23Å; Y527-V666 HydrophobicContact CD2-CB 4.15Å; Y527-V666 HydrophobicContact CD2-CG1 4.11Å
528	D	98.3	Very high	92.7	Very high	29 Å²	29	55.5 Å²	55.5	16%	0.155	28%	0.275	C	S	.	.			trans	-149.6	129	174.1	-172.1	-58.1	0	0	0	110.8	Q530 M531 M643	D528-Q530 VanDerWaalsContact CG-NE2 3.34Å; D528-Q530 PolarHBondContact O-N 2.81Å; D528-Q530 VanDerWaalsContact O-N 3.15Å; D528-Q530 WeakPolarHBondContact OD1-CB 3.18Å; D528-Q530 VanDerWaalsContact OD1-CG 3.23Å; D528-Q530 WeakPolarHBondContact OD1-CG 3.43Å; D528-Q530 PolarHBondContact OD1-N 2.78Å; D528-Q530 PolarHBondContact OD1-NE2 3.33Å; D528-Q530 PolarHBondContact OD2-NE2 2.75Å; D528-M531 HydrophobicContact CB-CE 4.28Å; D528-M531 WeakPolarHBondContact O-CB 3.21Å; D528-M531 WeakPolarHBondContact O-CE 3.32Å; D528-M531 PolarHBondContact O-N 2.88Å; D528-M531 VanDerWaalsContact O-N 3.08Å; D528-M643 HydrophobicContact CB-CE 3.65Å; D528-M643 VanDerWaalsContact OD2-CE 3.23Å; D528-M643 WeakPolarHBondContact OD2-CE 3.46Å
529	S	97.7	Very high	93.8	Very high	70 Å²	70	49.6 Å²	49.6	49%	0.49	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-68.4	-10	-175.8	60.4	0	0	0	0	114.7	M531 L532	S529-M531 PolarHBondContact O-N 2.88Å; S529-L532 WeakPolarHBondContact O-CB 3.33Å; S529-L532 PolarHBondContact O-N 3.24Å
530	Q	96.8	Very high	94.7	Very high	54 Å²	54	48.8 Å²	48.8	25%	0.252	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-62.2	-29.2	168.1	-70.3	169.7	92.7	0	0	112.2	D528 L532 K533 T639 M643	D528-Q530 VanDerWaalsContact CG-NE2 3.34Å; D528-Q530 PolarHBondContact O-N 2.81Å; D528-Q530 VanDerWaalsContact O-N 3.15Å; D528-Q530 WeakPolarHBondContact OD1-CB 3.18Å; D528-Q530 VanDerWaalsContact OD1-CG 3.23Å; D528-Q530 WeakPolarHBondContact OD1-CG 3.43Å; D528-Q530 PolarHBondContact OD1-N 2.78Å; D528-Q530 PolarHBondContact OD1-NE2 3.33Å; D528-Q530 PolarHBondContact OD2-NE2 2.75Å; Q530-L532 PolarHBondContact O-N 3.32Å; Q530-K533 WeakPolarHBondContact O-CB 3.48Å; Q530-K533 PolarHBondContact O-N 3.09Å; Q530-K533 VanDerWaalsContact O-N 3.11Å; Q530-T639 HydrophobicContact CB-CG2 4.09Å; Q530-T639 HydrophobicContact CG-CG2 4.49Å; Q530-M643 HydrophobicContact CB-CG 4.07Å; Q530-M643 PolarHBondContact NE2-SD 3.12Å; Q530-M643 VanDerWaalsContact NE2-SD 3.41Å
531	M	98.4	Very high	94.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-67.6	-22.3	177.3	-66.3	-176.8	-65.8	0	0	112.6	D528 S529 K533 I551 M643 A644 V666 V667 R668	D528-M531 HydrophobicContact CB-CE 4.28Å; D528-M531 WeakPolarHBondContact O-CB 3.21Å; D528-M531 WeakPolarHBondContact O-CE 3.32Å; D528-M531 PolarHBondContact O-N 2.88Å; D528-M531 VanDerWaalsContact O-N 3.08Å; S529-M531 PolarHBondContact O-N 2.88Å; M531-K533 PolarHBondContact O-N 2.89Å; M531-I551 HydrophobicContact CB-CD1 3.7Å; M531-I551 HydrophobicContact CE-CD1 4.39Å; M531-M643 HydrophobicContact CG-CB 3.79Å; M531-M643 HydrophobicContact SD-CB 4.32Å; M531-A644 HydrophobicContact SD-CB 4Å; M531-V666 WeakPolarHBondContact CE-O 3.39Å; M531-V667 HydrophobicContact CE-CB 4.36Å; M531-V667 HydrophobicContact CE-CG1 4.08Å; M531-V667 HydrophobicContact SD-CB 3.89Å; M531-V667 HydrophobicContact SD-CG1 3.95Å; M531-R668 HydrophobicContact CB-CG 4.12Å; M531-R668 WeakPolarHBondContact CB-O 3.31Å; M531-R668 WeakPolarHBondContact CG-O 3.09Å; M531-R668 PolarHBondContact O-NH1 3.31Å
532	L	97.6	Very high	94.2	Very high	37 Å²	37	42.4 Å²	42.4	19%	0.194	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-66.1	-25.1	172.1	-55.8	174.7	0	0	0	112.5	S529 Q530 H534 A548 I551 Q552	S529-L532 WeakPolarHBondContact O-CB 3.33Å; S529-L532 PolarHBondContact O-N 3.24Å; Q530-L532 PolarHBondContact O-N 3.32Å; L532-H534 VanDerWaalsContact C-N 3.28Å; L532-H534 PolarHBondContact O-N 3.18Å; L532-A548 HydrophobicContact CB-CB 4.13Å; L532-A548 HydrophobicContact CD2-CB 4.05Å; L532-A548 VanDerWaalsContact CD2-O 3.22Å; L532-A548 WeakPolarHBondContact CD2-O 3.1Å; L532-A548 WeakPolarHBondContact O-CB 3.42Å; L532-I551 HydrophobicContact CD2-CD1 3.69Å; L532-I551 HydrophobicContact CD2-CG1 3.66Å; L532-I551 HydrophobicContact CG-CD1 4.32Å; L532-Q552 HydrophobicContact CD2-CB 4Å
533	K	96.1	Very high	93.6	Very high	116 Å²	116	43.8 Å²	43.8	50%	0.504	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-77.7	-12	-173.3	-58.3	-169	177.7	-172.3	0	113.9	Q530 M531 Q535 H636	Q530-K533 WeakPolarHBondContact O-CB 3.48Å; Q530-K533 PolarHBondContact O-N 3.09Å; Q530-K533 VanDerWaalsContact O-N 3.11Å; M531-K533 PolarHBondContact O-N 2.89Å; K533-Q535 PolarHBondContact O-N 3.25Å; K533-Q535 VanDerWaalsContact O-N 3.09Å; K533-H636 HydrophobicContact CB-CB 3.93Å; K533-H636 WeakPolarHBondContact O-CB 3.5Å; K533-H636 PolarHBondContact O-CD2 2.75Å; K533-H636 VanDerWaalsContact O-CD2 3.32Å
534	H	95.5	Very high	93.3	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.014	26%	0.264	C	S	.	.			trans	-75.3	91.3	168.3	166.4	62.4	0	0	0	109	L532 E546 I631 T637 A640 R668	L532-H534 VanDerWaalsContact C-N 3.28Å; L532-H534 PolarHBondContact O-N 3.18Å; H534-E546 IonicContact CD2-OE2 2.94Å; H534-E546 IonicContact NE2-OE2 3.26Å; H534-I631 VanDerWaalsContact CE1-CD1 3.48Å; H534-I631 WeakPolarHBondContact CE1-CD1 3.32Å; H534-I631 PolarHBondContact CE1-O 3.03Å; H534-I631 VanDerWaalsContact CE1-O 3.27Å; H534-T637 PolarHBondContact CE1-OG1 3Å; H534-T637 PolarHBondContact ND1-OG1 2.85Å; H534-A640 HydrophobicContact CB-CB 3.41Å; H534-A640 VanDerWaalsContact CB-CB 3.41Å; H534-R668 PolarHBondContact CD2-NH2 3.16Å; H534-R668 VanDerWaalsContact CD2-NH2 3.34Å; H534-R668 VanDerWaalsContact O-CZ 3.28Å; H534-R668 PolarHBondContact O-NH1 3.21Å; H534-R668 PolarHBondContact O-NH2 3.43Å
535	Q	94.1	Very high	93	Very high	70 Å²	70	46.7 Å²	46.7	33%	0.327	28%	0.278	S	S	.	.			trans	-143.5	144.4	-177.1	-168.3	-177.2	9.6	0	0	109	K533 N541 N633	K533-Q535 PolarHBondContact O-N 3.25Å; K533-Q535 VanDerWaalsContact O-N 3.09Å; Q535-N541 PolarHBondContact NE2-ND2 3.15Å; Q535-N541 PolarHBondContact NE2-OD1 2.88Å; Q535-N633 WeakPolarHBondContact O-CB 3.41Å; Q535-N633 PolarHBondContact O-ND2 2.81Å
536	C	93.3	Very high	92.9	Very high	12 Å²	12	47 Å²	47	8%	0.081	28%	0.28	C	S	.	.			trans	-66.5	142.2	-178.3	-165.3	0	0	0	0	111.5	C538 G539 H544 I631	C536-C538 PolarHBondContact O-N 3.41Å; C536-G539 PolarHBondContact O-N 3.07Å; C536-H544 VanDerWaalsContact CB-CD2 3.45Å; C536-H544 WeakPolarHBondContact CB-CD2 3.5Å; C536-H544 WeakPolarHBondContact CB-NE2 3.32Å; C536-H544 PolarHBondContact SG-NE2 3.44Å; C536-I631 HydrophobicContact CB-CB 4.17Å; C536-I631 HydrophobicContact CB-CD1 4.26Å; C536-I631 HydrophobicContact CB-CG1 4.27Å; C536-I631 HydrophobicContact CB-CG2 4.13Å
537	T	90.8	Very high	92.7	Very high	91 Å²	91	48.6 Å²	48.6	56%	0.558	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.2	-175.7	51.6	0	0	0	0	114	G539	T537-G539 VanDerWaalsContact C-N 3.25Å; T537-G539 PolarHBondContact O-N 2.8Å
538	C	90.3	Very high	92.6	Very high	41 Å²	41	47.1 Å²	47.1	28%	0.277	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.6	170.7	61.5	0	0	0	0	113.1	C536 D540 C621	C536-C538 PolarHBondContact O-N 3.41Å; C538-D540 PolarHBondContact O-N 3.01Å; C538-D540 PolarHBondContact SG-O 2.87Å; C538-C621 HydrophobicContact CB-CB 3.88Å; C538-C621 WeakPolarHBondContact CB-O 3.47Å
539	G	83.9	Confident	92.5	Very high	61 Å²	61	46.4 Å²	46.4	63%	0.629	28%	0.283	S	S	*	.			trans	78.4	-5.8	-176.4	0	0	0	0	0	115.5	C536 T537	C536-G539 PolarHBondContact O-N 3.07Å; T537-G539 VanDerWaalsContact C-N 3.25Å; T537-G539 PolarHBondContact O-N 2.8Å
540	D	86.7	Confident	92.6	Very high	74 Å²	74	43 Å²	43	40%	0.396	26%	0.259	S	S	.	.			trans	-94.5	122.6	174.8	-171.7	-1.1	0	0	0	110.6	C538 S542 H544	C538-D540 PolarHBondContact O-N 3.01Å; C538-D540 PolarHBondContact SG-O 2.87Å; D540-S542 VanDerWaalsContact CG-OG 3.26Å; D540-S542 WeakPolarHBondContact OD1-CB 3.38Å; D540-S542 PolarHBondContact OD1-N 3.24Å; D540-S542 PolarHBondContact OD1-OG 3.22Å; D540-S542 PolarHBondContact OD2-OG 3.31Å; D540-S542 VanDerWaalsContact OD2-OG 3.12Å; D540-H544 PolarHBondContact O-CD2 3.23Å
541	N	83.3	Confident	92.6	Very high	60 Å²	60	40.5 Å²	40.5	32%	0.321	25%	0.247	S	C	.	.	S	Bend	trans	-89.5	-17.9	174	-72.9	-20.8	0	0	0	112.4	Q535 S543 H544 H547	Q535-N541 PolarHBondContact NE2-ND2 3.15Å; Q535-N541 PolarHBondContact NE2-OD1 2.88Å; N541-S543 PolarHBondContact O-N 3.08Å; N541-H544 PolarHBondContact O-N 3.03Å; N541-H544 VanDerWaalsContact O-N 3.1Å; N541-H547 HydrophobicContact CB-CB 4.3Å
542	S	84.6	Confident	92.6	Very high	107 Å²	107	45.3 Å²	45.3	75%	0.748	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-24.5	-177.6	71.4	0	0	0	0	112.7	D540 H544	D540-S542 VanDerWaalsContact CG-OG 3.26Å; D540-S542 WeakPolarHBondContact OD1-CB 3.38Å; D540-S542 PolarHBondContact OD1-N 3.24Å; D540-S542 PolarHBondContact OD1-OG 3.22Å; D540-S542 PolarHBondContact OD2-OG 3.31Å; D540-S542 VanDerWaalsContact OD2-OG 3.12Å; S542-H544 VanDerWaalsContact C-N 3.32Å
543	S	85.9	Confident	92.7	Very high	52 Å²	52	45.3 Å²	45.3	36%	0.364	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.8	172	67	0	0	0	0	114.5	N541	N541-S543 PolarHBondContact O-N 3.08Å
544	H	91.8	Very high	92.8	Very high	17 Å²	17	39.8 Å²	39.8	8%	0.079	25%	0.249	C	C	.	.			trans	-137	94.5	-171.8	-66.3	-51.5	0	0	0	112.2	C536 D540 N541 S542 E546 C621	C536-H544 VanDerWaalsContact CB-CD2 3.45Å; C536-H544 WeakPolarHBondContact CB-CD2 3.5Å; C536-H544 WeakPolarHBondContact CB-NE2 3.32Å; C536-H544 PolarHBondContact SG-NE2 3.44Å; D540-H544 PolarHBondContact O-CD2 3.23Å; N541-H544 PolarHBondContact O-N 3.03Å; N541-H544 VanDerWaalsContact O-N 3.1Å; S542-H544 VanDerWaalsContact C-N 3.32Å; H544-E546 VanDerWaalsContact C-N 3.28Å; H544-E546 PolarHBondContact O-N 2.75Å; H544-C621 PolarHBondContact NE2-SG 2.6Å
545	P	92.9	Very high	93	Very high	44 Å²	44	41 Å²	41	29%	0.286	25%	0.254	S	S	.	.	S	Bend	trans	-58	-34.4	179.4	-26.5	35.8	0	0	0	114	H547 L813 H846	P545-H547 PolarHBondContact O-N 2.89Å; P545-L813 HydrophobicContact CB-CD1 4.28Å; P545-L813 HydrophobicContact CG-CD1 4.19Å; P545-H846 HydrophobicContact CB-CB 4.27Å; P545-H846 WeakPolarHBondContact CB-ND1 3.13Å; P545-H846 PolarHBondContact O-ND1 3.44Å
546	E	95.1	Very high	93.2	Very high	8 Å²	8	40 Å²	40	4%	0.037	25%	0.254	C	S	.	.	S	Bend	trans	-86.3	87.7	170.7	-148.9	-55.7	102.9	0	0	110.1	H534 H544 R550 R668 P670 F682	H534-E546 IonicContact CD2-OE2 2.94Å; H534-E546 IonicContact NE2-OE2 3.26Å; H544-E546 VanDerWaalsContact C-N 3.28Å; H544-E546 PolarHBondContact O-N 2.75Å; E546-R550 WeakPolarHBondContact OE1-CD 3.27Å; E546-R550 IonicContact OE1-CZ 3.04Å; E546-R550 IonicContact OE1-NE 3.23Å; E546-R550 IonicContact OE1-NH1 3.41Å; E546-R550 PolarHBondContact OE1-NH1 3.43Å; E546-R668 VanDerWaalsContact CD-NE 3.29Å; E546-R668 PolarHBondContact O-NH2 2.92Å; E546-R668 IonicContact OE1-CZ 3.44Å; E546-R668 IonicContact OE1-NE 2.75Å; E546-R668 PolarHBondContact OE1-NE 2.83Å; E546-R668 IonicContact OE1-NH2 2.78Å; E546-R668 IonicContact OE2-CZ 2.75Å; E546-R668 IonicContact OE2-NE 2.72Å; E546-R668 PolarHBondContact OE2-NE 2.96Å; E546-R668 IonicContact OE2-NH2 3.22Å; E546-R668 PolarHBondContact OE2-NH2 3.29Å; E546-P670 HydrophobicContact CG-CG 4.39Å; E546-F682 HydrophobicContact CB-CB 4Å; E546-F682 HydrophobicContact CB-CD1 3.71Å; E546-F682 HydrophobicContact CB-CD2 4.12Å; E546-F682 HydrophobicContact CB-CE1 4.22Å; E546-F682 HydrophobicContact CB-CG 3.66Å; E546-F682 HydrophobicContact CG-CB 3.92Å; E546-F682 HydrophobicContact CG-CD2 4.42Å; E546-F682 HydrophobicContact CG-CG 4.06Å
547	H	95.4	Very high	93.4	Very high	34 Å²	34	41.3 Å²	41.3	16%	0.157	26%	0.257	C	S	.	.			trans	-125	158	179.9	74	108.5	0	0	0	113.1	N541 P545 G549 R550	N541-H547 HydrophobicContact CB-CB 4.3Å; P545-H547 PolarHBondContact O-N 2.89Å; H547-G549 PolarHBondContact ND1-N 3.04Å; H547-G549 PolarHBondContact O-N 2.81Å; H547-R550 WeakPolarHBondContact O-CG 3.38Å; H547-R550 PolarHBondContact O-N 2.79Å
548	A	96.4	Very high	93.8	Very high	9 Å²	9	37 Å²	37	7%	0.074	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.8	-176.5	0	0	0	0	0	115.1	L532 R550 Q552	L532-A548 HydrophobicContact CB-CB 4.13Å; L532-A548 HydrophobicContact CD2-CB 4.05Å; L532-A548 VanDerWaalsContact CD2-O 3.22Å; L532-A548 WeakPolarHBondContact CD2-O 3.1Å; L532-A548 WeakPolarHBondContact O-CB 3.42Å; A548-R550 PolarHBondContact O-N 2.77Å; A548-Q552 PolarHBondContact O-N 2.82Å
549	G	96.8	Very high	94.2	Very high	14 Å²	14	40.2 Å²	40.2	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-26.4	178.1	0	0	0	0	0	113.8	H547 Q552 S553	H547-G549 PolarHBondContact ND1-N 3.04Å; H547-G549 PolarHBondContact O-N 2.81Å; G549-Q552 PolarHBondContact O-N 3.35Å; G549-S553 WeakPolarHBondContact O-CB 3.46Å; G549-S553 PolarHBondContact O-N 3.22Å; G549-S553 PolarHBondContact O-OG 2.99Å
550	R	98.3	Very high	94.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.2	-64.9	180	-65.4	171.9	66.4	-120.7	-4.7	112.1	E546 H547 A548 Q552 S553 I554 E843 G844 G845 L848 I851	E546-R550 WeakPolarHBondContact OE1-CD 3.27Å; E546-R550 IonicContact OE1-CZ 3.04Å; E546-R550 IonicContact OE1-NE 3.23Å; E546-R550 IonicContact OE1-NH1 3.41Å; E546-R550 PolarHBondContact OE1-NH1 3.43Å; H547-R550 WeakPolarHBondContact O-CG 3.38Å; H547-R550 PolarHBondContact O-N 2.79Å; A548-R550 PolarHBondContact O-N 2.77Å; R550-Q552 VanDerWaalsContact C-N 3.26Å; R550-Q552 PolarHBondContact O-N 3.03Å; R550-S553 PolarHBondContact O-N 2.8Å; R550-I554 WeakPolarHBondContact O-CG1 3.47Å; R550-I554 PolarHBondContact O-N 2.84Å; R550-I554 VanDerWaalsContact O-N 3.17Å; R550-E843 PolarHBondContact NH1-O 3.2Å; R550-E843 PolarHBondContact NH2-O 3.39Å; R550-G844 PolarHBondContact NH2-O 3.1Å; R550-G845 PolarHBondContact NE-O 3.35Å; R550-G845 PolarHBondContact NH2-O 3.39Å; R550-L848 HydrophobicContact CG-CD2 4.22Å; R550-I851 HydrophobicContact CB-CD1 3.77Å; R550-I851 HydrophobicContact CG-CD1 3.93Å
551	I	98.6	Very high	95.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-27.6	178.9	59.2	161	0	0	0	113	Y527 M531 L532 W555 V666 V667 R668 L842	Y527-I551 HydrophobicContact CD2-CD1 4.39Å; Y527-I551 HydrophobicContact CE2-CB 4.17Å; Y527-I551 HydrophobicContact CE2-CD1 3.85Å; Y527-I551 HydrophobicContact CE2-CG1 4.18Å; M531-I551 HydrophobicContact CB-CD1 3.7Å; M531-I551 HydrophobicContact CE-CD1 4.39Å; L532-I551 HydrophobicContact CD2-CD1 3.69Å; L532-I551 HydrophobicContact CD2-CG1 3.66Å; L532-I551 HydrophobicContact CG-CD1 4.32Å; I551-W555 VanDerWaalsContact O-CB 3.29Å; I551-W555 WeakPolarHBondContact O-CB 3.26Å; I551-W555 PolarHBondContact O-N 3.24Å; I551-V666 HydrophobicContact CB-CG1 3.86Å; I551-V666 HydrophobicContact CG2-CG1 3.99Å; I551-V667 WeakPolarHBondContact CG2-O 3.38Å; I551-R668 HydrophobicContact CD1-CG 3.71Å; I551-R668 HydrophobicContact CG1-CG 3.96Å; I551-R668 HydrophobicContact CG2-CB 4.09Å; I551-R668 HydrophobicContact CG2-CG 4Å; I551-L842 HydrophobicContact CG2-CD2 3.77Å
552	Q	98.5	Very high	96.1	Very high	102 Å²	102	46.7 Å²	46.7	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-69	-46.8	178.3	-173.1	175.7	-3.9	0	0	111.1	L532 A548 G549 R550 W555 S556	L532-Q552 HydrophobicContact CD2-CB 4Å; A548-Q552 PolarHBondContact O-N 2.82Å; G549-Q552 PolarHBondContact O-N 3.35Å; R550-Q552 VanDerWaalsContact C-N 3.26Å; R550-Q552 PolarHBondContact O-N 3.03Å; Q552-W555 PolarHBondContact O-N 3.19Å; Q552-S556 PolarHBondContact O-N 3.33Å; Q552-S556 PolarHBondContact O-OG 3.38Å
553	S	98.6	Very high	96.7	Very high	37 Å²	37	41.9 Å²	41.9	26%	0.259	22%	0.221	S	C	.	.	H	α-helix	trans	-64.5	-43.5	177.8	-61.1	0	0	0	0	111.5	G549 R550 W555 S556 R557 C852	G549-S553 WeakPolarHBondContact O-CB 3.46Å; G549-S553 PolarHBondContact O-N 3.22Å; G549-S553 PolarHBondContact O-OG 2.99Å; R550-S553 PolarHBondContact O-N 2.8Å; S553-W555 PolarHBondContact O-N 2.89Å; S553-S556 PolarHBondContact O-N 2.96Å; S553-R557 WeakPolarHBondContact O-CB 3.41Å; S553-R557 PolarHBondContact O-N 3.17Å; S553-C852 VanDerWaalsContact CB-SG 3.51Å
554	I	98.8	Very high	97.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-47.5	175.7	-67	164.4	0	0	0	110.5	R550 S556 R557 L558 V666 L842 I851 C852	R550-I554 WeakPolarHBondContact O-CG1 3.47Å; R550-I554 PolarHBondContact O-N 2.84Å; R550-I554 VanDerWaalsContact O-N 3.17Å; I554-S556 PolarHBondContact O-N 2.9Å; I554-R557 PolarHBondContact O-N 3.33Å; I554-L558 HydrophobicContact CG2-CD1 4.02Å; I554-L558 HydrophobicContact CG2-CG 4.37Å; I554-L558 WeakPolarHBondContact O-CG 3.38Å; I554-L558 PolarHBondContact O-N 3.47Å; I554-V666 HydrophobicContact CB-CG1 4.01Å; I554-V666 HydrophobicContact CG2-CG1 3.73Å; I554-V666 HydrophobicContact CG2-CG2 4.2Å; I554-L842 HydrophobicContact CD1-CD1 4.08Å; I554-L842 HydrophobicContact CD1-CD2 3.58Å; I554-I851 HydrophobicContact CD1-CB 4.21Å; I554-I851 HydrophobicContact CD1-CD1 4.04Å; I554-I851 HydrophobicContact CD1-CG1 3.97Å; I554-I851 HydrophobicContact CG1-CD1 4.38Å; I554-I851 HydrophobicContact CG1-CG1 4.02Å; I554-C852 PolarHBondContact N-SG 3.21Å
555	W	98.6	Very high	97.5	Very high	29 Å²	29	45.6 Å²	45.6	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-65.1	-39.2	-179.9	-169.9	-107.5	0	0	0	112.9	L525 Y527 I551 Q552 S553 Q559 R564 V666	L525-W555 HydrophobicContact CB-CZ3 4.08Å; L525-W555 HydrophobicContact CD1-CZ3 4.46Å; Y527-W555 VanDerWaalsContact CB-CZ3 3.5Å; Y527-W555 AromaticContact CD1-CD1 3.93Å; Y527-W555 AromaticContact CD1-CD2 3.68Å; Y527-W555 HydrophobicContact CD1-CD2 3.68Å; Y527-W555 AromaticContact CD1-CE2 3.56Å; Y527-W555 HydrophobicContact CD1-CE3 4.26Å; Y527-W555 AromaticContact CD1-CG 3.87Å; Y527-W555 HydrophobicContact CD1-CG 3.87Å; Y527-W555 AromaticContact CD1-CZ2 3.99Å; Y527-W555 HydrophobicContact CD1-CZ2 3.99Å; Y527-W555 AromaticContact CD1-NE1 3.74Å; Y527-W555 HydrophobicContact CD2-CB 4.1Å; Y527-W555 HydrophobicContact CD2-CD2 4.14Å; Y527-W555 HydrophobicContact CD2-CE3 4.28Å; Y527-W555 HydrophobicContact CD2-CG 4.1Å; Y527-W555 AromaticContact CE1-CD1 3.7Å; Y527-W555 HydrophobicContact CE1-CD2 4.2Å; Y527-W555 AromaticContact CE1-CG 3.9Å; Y527-W555 HydrophobicContact CE1-CG 3.9Å; Y527-W555 AromaticContact CE1-NE1 3.83Å; Y527-W555 HydrophobicContact CE2-CB 3.92Å; Y527-W555 HydrophobicContact CE2-CG 4.12Å; Y527-W555 HydrophobicContact CG-CB 4.46Å; Y527-W555 AromaticContact CG-CD2 3.64Å; Y527-W555 HydrophobicContact CG-CD2 3.64Å; Y527-W555 AromaticContact CG-CE2 3.96Å; Y527-W555 AromaticContact CG-CE3 3.8Å; Y527-W555 HydrophobicContact CG-CE3 3.8Å; Y527-W555 AromaticContact CG-CG 3.97Å; Y527-W555 HydrophobicContact CG-CG 3.97Å; Y527-W555 HydrophobicContact CG-CH2 4.48Å; Y527-W555 HydrophobicContact CG-CZ2 4.34Å; Y527-W555 HydrophobicContact CG-CZ3 4.23Å; I551-W555 VanDerWaalsContact O-CB 3.29Å; I551-W555 WeakPolarHBondContact O-CB 3.26Å; I551-W555 PolarHBondContact O-N 3.24Å; Q552-W555 PolarHBondContact O-N 3.19Å; S553-W555 PolarHBondContact O-N 2.89Å; W555-Q559 WeakPolarHBondContact O-CB 3.13Å; W555-Q559 PolarHBondContact O-N 3.39Å; W555-R564 HydrophobicContact CH2-CG 4.41Å; W555-V666 HydrophobicContact CE3-CG2 4.14Å; W555-V666 HydrophobicContact CZ3-CG2 4.49Å
556	S	98.6	Very high	97.7	Very high	48 Å²	48	47.7 Å²	47.7	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-60.6	-49	171.1	-67.8	0	0	0	0	111.3	Q552 S553 I554 L558 Q559 E560	Q552-S556 PolarHBondContact O-N 3.33Å; Q552-S556 PolarHBondContact O-OG 3.38Å; S553-S556 PolarHBondContact O-N 2.96Å; I554-S556 PolarHBondContact O-N 2.9Å; S556-L558 PolarHBondContact O-N 3.46Å; S556-Q559 CarbonylContact O-C 3.51Å; S556-Q559 WeakPolarHBondContact O-CA 3.42Å; S556-Q559 WeakPolarHBondContact O-CB 2.81Å; S556-Q559 PolarHBondContact O-N 3.4Å; S556-E560 WeakPolarHBondContact O-CB 3.28Å; S556-E560 VanDerWaalsContact O-CG 3.31Å; S556-E560 WeakPolarHBondContact O-CG 3.46Å; S556-E560 PolarHBondContact O-N 3.03Å
557	R	98.7	Very high	97.8	Very high	40 Å²	40	48 Å²	48	15%	0.151	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-49.5	-179.8	-175	71.8	81.5	76.2	3.6	112.1	S553 I554 Q559 E560 R561 C852 D853 E856	S553-R557 WeakPolarHBondContact O-CB 3.41Å; S553-R557 PolarHBondContact O-N 3.17Å; I554-R557 PolarHBondContact O-N 3.33Å; R557-Q559 PolarHBondContact O-N 2.95Å; R557-E560 PolarHBondContact O-N 2.75Å; R557-R561 HydrophobicContact CG-CG 4.26Å; R557-R561 WeakPolarHBondContact O-CB 3.2Å; R557-R561 VanDerWaalsContact O-CG 3.32Å; R557-R561 WeakPolarHBondContact O-CG 3.26Å; R557-R561 PolarHBondContact O-N 3.2Å; R557-C852 HydrophobicContact CB-CB 4.19Å; R557-C852 HydrophobicContact CG-CB 4.22Å; R557-D853 IonicContact CZ-OD1 3.26Å; R557-D853 IonicContact NH1-OD1 2.74Å; R557-D853 PolarHBondContact NH1-OD1 3.46Å; R557-D853 IonicContact NH2-OD1 2.74Å; R557-D853 PolarHBondContact NH2-OD1 2.95Å; R557-E856 WeakPolarHBondContact CD-OE2 3.36Å; R557-E856 HydrophobicContact CG-CB 4.43Å; R557-E856 WeakPolarHBondContact CG-OE2 3.23Å; R557-E856 IonicContact CZ-OE2 2.81Å; R557-E856 IonicContact NE-OE2 3.65Å; R557-E856 IonicContact NH1-OE2 3.85Å; R557-E856 PolarHBondContact NH1-OE2 3.33Å
558	L	98.6	Very high	98	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-27.9	178.4	-66	178.4	0	0	0	112.3	L525 I554 S556 L563 R564 V666 V859	L525-L558 HydrophobicContact CD1-CD1 4.26Å; L525-L558 HydrophobicContact CD2-CD1 4.39Å; I554-L558 HydrophobicContact CG2-CD1 4.02Å; I554-L558 HydrophobicContact CG2-CG 4.37Å; I554-L558 WeakPolarHBondContact O-CG 3.38Å; I554-L558 PolarHBondContact O-N 3.47Å; S556-L558 PolarHBondContact O-N 3.46Å; L558-L563 HydrophobicContact CD2-CB 4.41Å; L558-L563 HydrophobicContact CD2-CD1 3.86Å; L558-L563 PolarHBondContact O-N 3Å; L558-R564 WeakPolarHBondContact O-CB 3.47Å; L558-R564 PolarHBondContact O-N 2.98Å; L558-V666 HydrophobicContact CD1-CG2 4.24Å; L558-V859 HydrophobicContact CD1-CG2 4.12Å; L558-V859 HydrophobicContact CD2-CB 3.87Å; L558-V859 HydrophobicContact CD2-CG1 4.12Å; L558-V859 HydrophobicContact CD2-CG2 3.89Å
559	Q	98.2	Very high	98	Very high	109 Å²	109	51.4 Å²	51.4	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-79.4	-45.7	173	-177.6	171.7	-53.8	0	0	112.8	W555 S556 R557 R561 G562 R564	W555-Q559 WeakPolarHBondContact O-CB 3.13Å; W555-Q559 PolarHBondContact O-N 3.39Å; S556-Q559 CarbonylContact O-C 3.51Å; S556-Q559 WeakPolarHBondContact O-CA 3.42Å; S556-Q559 WeakPolarHBondContact O-CB 2.81Å; S556-Q559 PolarHBondContact O-N 3.4Å; R557-Q559 PolarHBondContact O-N 2.95Å; Q559-R561 VanDerWaalsContact C-N 3.29Å; Q559-R561 PolarHBondContact O-N 2.95Å; Q559-G562 PolarHBondContact O-N 2.95Å; Q559-R564 HydrophobicContact CB-CB 4.48Å
560	E	98.1	Very high	98	Very high	150 Å²	150	51.3 Å²	51.3	70%	0.701	27%	0.274	S	S	*	.	H	α-helix	trans	-62	-35.2	179.5	-73.7	163.8	-161.6	0	0	112.4	S556 R557 G562	S556-E560 WeakPolarHBondContact O-CB 3.28Å; S556-E560 VanDerWaalsContact O-CG 3.31Å; S556-E560 WeakPolarHBondContact O-CG 3.46Å; S556-E560 PolarHBondContact O-N 3.03Å; R557-E560 PolarHBondContact O-N 2.75Å; E560-G562 VanDerWaalsContact C-N 3.27Å; E560-G562 PolarHBondContact O-N 3.25Å
561	R	97.8	Very high	98	Very high	143 Å²	143	61.8 Å²	61.8	54%	0.54	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.4	173.9	-62.7	-59.5	-153	-145.1	0.7	114.4	R557 Q559 L563 E856	R557-R561 HydrophobicContact CG-CG 4.26Å; R557-R561 WeakPolarHBondContact O-CB 3.2Å; R557-R561 VanDerWaalsContact O-CG 3.32Å; R557-R561 WeakPolarHBondContact O-CG 3.26Å; R557-R561 PolarHBondContact O-N 3.2Å; Q559-R561 VanDerWaalsContact C-N 3.29Å; Q559-R561 PolarHBondContact O-N 2.95Å; R561-L563 HydrophobicContact CB-CD1 4.35Å; R561-L563 HydrophobicContact CB-CG 4.03Å; R561-L563 PolarHBondContact O-N 2.82Å; R561-L563 VanDerWaalsContact O-N 3.09Å; R561-E856 HydrophobicContact CG-CG 4.23Å; R561-E856 WeakPolarHBondContact CG-OE2 3.38Å; R561-E856 IonicContact CZ-OE1 3.98Å; R561-E856 IonicContact CZ-OE2 2.9Å; R561-E856 IonicContact NE-OE1 3.26Å; R561-E856 PolarHBondContact NE-OE1 3.27Å; R561-E856 IonicContact NE-OE2 2.71Å; R561-E856 PolarHBondContact NE-OE2 3.47Å; R561-E856 IonicContact NH2-OE1 3.93Å; R561-E856 PolarHBondContact NH2-OE1 3.02Å; R561-E856 IonicContact NH2-OE2 2.83Å; R561-E856 PolarHBondContact NH2-OE2 3.27Å
562	G	97.6	Very high	97.9	Very high	37 Å²	37	62.1 Å²	62.1	38%	0.381	32%	0.317	S	S	.	.	S	Bend	trans	70.9	-5.6	-177.1	0	0	0	0	0	115.6	Q559 E560 R564 G565	Q559-G562 PolarHBondContact O-N 2.95Å; E560-G562 VanDerWaalsContact C-N 3.27Å; E560-G562 PolarHBondContact O-N 3.25Å; G562-R564 VanDerWaalsContact C-N 3.26Å; G562-R564 PolarHBondContact O-N 2.76Å; G562-G565 WeakPolarHBondContact O-CA 3.34Å; G562-G565 PolarHBondContact O-N 2.97Å
563	L	97.9	Very high	97.8	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-53.8	-42.8	177.9	-61.4	179.6	0	0	0	111.6	L558 R561 G565 Q566 C567 E856 V859 L863 M865	L558-L563 HydrophobicContact CD2-CB 4.41Å; L558-L563 HydrophobicContact CD2-CD1 3.86Å; L558-L563 PolarHBondContact O-N 3Å; R561-L563 HydrophobicContact CB-CD1 4.35Å; R561-L563 HydrophobicContact CB-CG 4.03Å; R561-L563 PolarHBondContact O-N 2.82Å; R561-L563 VanDerWaalsContact O-N 3.09Å; L563-G565 PolarHBondContact O-N 2.89Å; L563-G565 VanDerWaalsContact O-N 3.13Å; L563-Q566 WeakPolarHBondContact O-CB 3.44Å; L563-Q566 PolarHBondContact O-N 2.87Å; L563-C567 PolarHBondContact O-N 3.26Å; L563-C567 PolarHBondContact O-SG 2.78Å; L563-C567 VanDerWaalsContact O-SG 3.4Å; L563-E856 HydrophobicContact CD1-CG 3.95Å; L563-V859 HydrophobicContact CB-CG1 4.12Å; L563-V859 HydrophobicContact CD1-CB 4.4Å; L563-V859 HydrophobicContact CD1-CG1 4.27Å; L563-L863 HydrophobicContact CB-CD1 4.4Å; L563-L863 HydrophobicContact CD2-CD1 4.02Å; L563-M865 HydrophobicContact CD2-CE 4.17Å; L563-M865 HydrophobicContact CD2-SD 3.82Å
564	R	97.3	Very high	97.8	Very high	81 Å²	81	62.7 Å²	62.7	31%	0.306	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-55.2	-30.1	174.9	-175	-175.5	171.1	-136.5	-12.6	113.3	L525 W555 L558 Q559 G562 Q566	L525-R564 HydrophobicContact CD1-CB 4.35Å; L525-R564 HydrophobicContact CD1-CG 4.41Å; W555-R564 HydrophobicContact CH2-CG 4.41Å; L558-R564 WeakPolarHBondContact O-CB 3.47Å; L558-R564 PolarHBondContact O-N 2.98Å; Q559-R564 HydrophobicContact CB-CB 4.48Å; G562-R564 VanDerWaalsContact C-N 3.26Å; G562-R564 PolarHBondContact O-N 2.76Å; R564-Q566 VanDerWaalsContact C-N 3.32Å
565	G	96.5	Very high	97.8	Very high	67 Å²	67	62.7 Å²	62.7	69%	0.691	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-79.1	-11.2	177.2	0	0	0	0	0	114.6	G562 L563	G562-G565 WeakPolarHBondContact O-CA 3.34Å; G562-G565 PolarHBondContact O-N 2.97Å; L563-G565 PolarHBondContact O-N 2.89Å; L563-G565 VanDerWaalsContact O-N 3.13Å
566	Q	97.3	Very high	97.7	Very high	87 Å²	87	64.5 Å²	64.5	41%	0.407	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-18.6	175.3	-56.7	-171.7	79.4	0	0	112.5	T522 L563 R564 L863 M865	T522-Q566 PolarHBondContact OG1-O 3.22Å; L563-Q566 WeakPolarHBondContact O-CB 3.44Å; L563-Q566 PolarHBondContact O-N 2.87Å; R564-Q566 VanDerWaalsContact C-N 3.32Å; Q566-L863 HydrophobicContact CB-CD1 3.94Å; Q566-L863 HydrophobicContact CB-CD2 3.89Å; Q566-M865 PolarHBondContact NE2-SD 3.03Å
567	C	98.1	Very high	97.6	Very high	14 Å²	14	64.9 Å²	64.9	10%	0.095	32%	0.321	C	S	.	.	S	Bend	trans	-91.2	158.3	176.8	-58.7	0	0	0	0	113	T523 L525 L563	T523-C567 CarbonylContact O-C 3.59Å; T523-C567 WeakPolarHBondContact O-CA 3.28Å; T523-C567 WeakPolarHBondContact O-CB 3.36Å; L525-C567 HydrophobicContact CB-CB 4.44Å; L525-C567 HydrophobicContact CD1-CB 3.7Å; L525-C567 HydrophobicContact CG-CB 3.63Å; L563-C567 PolarHBondContact O-N 3.26Å; L563-C567 PolarHBondContact O-SG 2.78Å; L563-C567 VanDerWaalsContact O-SG 3.4Å
568	E	98	Very high	97.5	Very high	50 Å²	50	68 Å²	68	23%	0.234	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.6	166.5	-74.4	-68.1	171.2	0	0	110.4	R520 T522 T523 G524 L525 I570 L660	R520-E568 HydrophobicContact CB-CG 4.36Å; R520-E568 VanDerWaalsContact CB-OE1 3.32Å; R520-E568 WeakPolarHBondContact CB-OE1 3.25Å; R520-E568 WeakPolarHBondContact CG-OE1 3.48Å; R520-E568 PolarHBondContact N-OE1 2.83Å; T522-E568 HydrophobicContact CG2-CB 4.46Å; T522-E568 HydrophobicContact CG2-CG 3.75Å; T523-E568 PolarHBondContact O-N 3.34Å; G524-E568 WeakPolarHBondContact CA-O 3.5Å; L525-E568 PolarHBondContact N-O 2.83Å; E568-I570 HydrophobicContact CB-CD1 4.07Å; E568-I570 PolarHBondContact O-N 3.36Å; E568-L660 HydrophobicContact CB-CD2 3.84Å; E568-L660 HydrophobicContact CG-CD2 4.1Å
569	S	97.1	Very high	97.5	Very high	66 Å²	66	68.6 Å²	68.6	46%	0.462	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	94.1	-177.2	-169.8	0	0	0	0	110.4
570	I	97.5	Very high	97.6	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.2	-177.1	-50.2	-51.1	0	0	0	110.5	L525 V526 E568 G572 E650 L651 L660	L525-I570 PolarHBondContact O-N 2.98Å; V526-I570 HydrophobicContact CB-CB 4.18Å; V526-I570 HydrophobicContact CG2-CB 4.43Å; V526-I570 HydrophobicContact CG2-CG2 4.48Å; E568-I570 HydrophobicContact CB-CD1 4.07Å; E568-I570 PolarHBondContact O-N 3.36Å; I570-G572 PolarHBondContact O-N 3.22Å; I570-E650 HydrophobicContact CG2-CG 4Å; I570-L651 HydrophobicContact CG1-CD1 4.12Å; I570-L660 HydrophobicContact CD1-CD1 3.78Å; I570-L660 HydrophobicContact CD1-CD2 4.22Å; I570-L660 HydrophobicContact CG1-CD1 3.93Å
571	R	97.1	Very high	97.6	Very high	219 Å²	219	60.3 Å²	60.3	83%	0.826	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	112	177	-176.2	178.4	-178.4	175.6	2.6	110.2
572	G	96.1	Very high	97.6	Very high	8 Å²	8	54.4 Å²	54.4	8%	0.082	28%	0.282	C	S	.	.			trans	-62.3	161.3	173.8	0	0	0	0	0	113.6	I570 S647	I570-G572 PolarHBondContact O-N 3.22Å; G572-S647 WeakPolarHBondContact CA-OG 3.33Å
573	R	98.1	Very high	97.7	Very high	76 Å²	76	53.3 Å²	53.3	29%	0.287	27%	0.268	S	S	.	.			trans	-140.4	167.1	176.9	62.1	178.3	177.9	86	-6.6	111.1	E579 M643 G646 E650	R573-E579 IonicContact CZ-OE1 3.92Å; R573-E579 VanDerWaalsContact CZ-OE1 3.26Å; R573-E579 IonicContact CZ-OE2 3.81Å; R573-E579 VanDerWaalsContact NH1-CD 3.3Å; R573-E579 IonicContact NH1-OE1 3.32Å; R573-E579 PolarHBondContact NH1-OE1 3.01Å; R573-E579 IonicContact NH1-OE2 3.54Å; R573-E579 PolarHBondContact NH1-OE2 2.82Å; R573-E579 IonicContact NH2-OE1 3.71Å; R573-E579 PolarHBondContact NH2-OE1 3.28Å; R573-M643 VanDerWaalsContact C-SD 3.56Å; R573-G646 WeakPolarHBondContact CG-O 3.44Å; R573-G646 CarbonylContact O-C 3.53Å; R573-G646 VanDerWaalsContact O-C 3.26Å; R573-G646 VanDerWaalsContact O-CA 3.24Å; R573-G646 WeakPolarHBondContact O-CA 3.21Å; R573-E650 WeakPolarHBondContact CD-OE2 3.4Å; R573-E650 HydrophobicContact CG-CB 4.41Å; R573-E650 IonicContact CZ-OE2 3.76Å; R573-E650 IonicContact NE-OE2 3.19Å; R573-E650 PolarHBondContact NE-OE2 2.89Å
574	K	98.4	Very high	97.7	Very high	75 Å²	75	53.2 Å²	53.2	33%	0.326	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-77.7	131.3	169.2	-61.8	-174.5	-173.8	-176.9	0	108.8	N576 T639 R642 M643	K574-N576 PolarHBondContact O-N 3.01Å; K574-T639 PolarHBondContact NZ-OG1 2.82Å; K574-R642 CarbonylContact C-O 3.53Å; K574-R642 WeakPolarHBondContact CA-O 3.31Å; K574-R642 HydrophobicContact CB-CB 4.28Å; K574-M643 HydrophobicContact CB-SD 4.34Å; K574-M643 HydrophobicContact CD-SD 4.22Å; K574-M643 HydrophobicContact CG-CG 3.91Å; K574-M643 HydrophobicContact CG-SD 3.29Å; K574-M643 WeakPolarHBondContact CG-SD 3.32Å
575	A	98.5	Very high	97.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-55.3	134.8	162.8	0	0	0	0	0	108.7	E579 L580 R642 A645	A575-E579 VanDerWaalsContact CA-OE2 3.3Å; A575-E579 WeakPolarHBondContact CA-OE2 3.42Å; A575-E579 HydrophobicContact CB-CB 4.42Å; A575-L580 HydrophobicContact CB-CD2 3.71Å; A575-L580 HydrophobicContact CB-CG 4.01Å; A575-R642 PolarHBondContact N-O 3.48Å; A575-R642 PolarHBondContact O-NE 3.31Å; A575-R642 PolarHBondContact O-NH2 3.05Å; A575-A645 HydrophobicContact CB-CB 4.1Å
576	N	96.8	Very high	97.5	Very high	67 Å²	67	53.8 Å²	53.8	36%	0.358	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-76.8	171.5	171.3	78	53.2	0	0	0	109.8	K574 E578 E579 L580	K574-N576 PolarHBondContact O-N 3.01Å; N576-E578 WeakPolarHBondContact OD1-CA 3.29Å; N576-E578 VanDerWaalsContact OD1-CB 3.25Å; N576-E578 WeakPolarHBondContact OD1-CB 3.07Å; N576-E578 PolarHBondContact OD1-N 3.08Å; N576-E579 PolarHBondContact N-OE2 3.31Å; N576-E579 WeakPolarHBondContact ND2-CG 3.18Å; N576-E579 PolarHBondContact ND2-OE2 3.33Å; N576-E579 VanDerWaalsContact ND2-OE2 3.12Å; N576-E579 PolarHBondContact OD1-N 2.82Å; N576-L580 WeakPolarHBondContact O-CG 3.3Å; N576-L580 PolarHBondContact O-N 3.22Å
577	L	96.1	Very high	97.2	Very high	56 Å²	56	54.6 Å²	54.6	29%	0.293	26%	0.259	S	S	.	.	H	α-helix	trans	-74	-25.9	-174.2	-56.2	-174.7	0	0	0	113.3	L580 Q581 V589 T594	L577-L580 HydrophobicContact CD2-CD1 4.06Å; L577-Q581 VanDerWaalsContact O-CB 3.27Å; L577-Q581 WeakPolarHBondContact O-CB 3.23Å; L577-Q581 WeakPolarHBondContact O-CG 3.2Å; L577-Q581 PolarHBondContact O-N 2.94Å; L577-V589 HydrophobicContact CB-CG1 4.13Å; L577-V589 HydrophobicContact CD2-CG1 3.92Å; L577-T594 HydrophobicContact CD1-CG2 4.17Å; L577-T594 HydrophobicContact CD2-CG2 4.42Å
578	E	97.3	Very high	97	Very high	106 Å²	106	54 Å²	54	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-69.4	-42.9	174.3	-175.6	-164.3	134.6	0	0	110.9	N576 L580 Q581 S582 K698	N576-E578 WeakPolarHBondContact OD1-CA 3.29Å; N576-E578 VanDerWaalsContact OD1-CB 3.25Å; N576-E578 WeakPolarHBondContact OD1-CB 3.07Å; N576-E578 PolarHBondContact OD1-N 3.08Å; E578-L580 PolarHBondContact O-N 2.81Å; E578-Q581 CarbonylContact O-C 3.52Å; E578-Q581 WeakPolarHBondContact O-CA 3.04Å; E578-Q581 PolarHBondContact O-N 2.78Å; E578-Q581 VanDerWaalsContact O-N 3.09Å; E578-S582 PolarHBondContact O-N 3.2Å; E578-S582 VanDerWaalsContact O-N 3.07Å; E578-K698 IonicContact OE1-NZ 3.88Å; E578-K698 PolarHBondContact OE1-NZ 3.21Å
579	E	98.5	Very high	96.9	Very high	11 Å²	11	51.7 Å²	51.7	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-47.8	174.9	-72	170.1	140.2	0	0	110.9	R573 A575 N576 Q581 S582 I690 Q694	R573-E579 IonicContact CZ-OE1 3.92Å; R573-E579 VanDerWaalsContact CZ-OE1 3.26Å; R573-E579 IonicContact CZ-OE2 3.81Å; R573-E579 VanDerWaalsContact NH1-CD 3.3Å; R573-E579 IonicContact NH1-OE1 3.32Å; R573-E579 PolarHBondContact NH1-OE1 3.01Å; R573-E579 IonicContact NH1-OE2 3.54Å; R573-E579 PolarHBondContact NH1-OE2 2.82Å; R573-E579 IonicContact NH2-OE1 3.71Å; R573-E579 PolarHBondContact NH2-OE1 3.28Å; A575-E579 VanDerWaalsContact CA-OE2 3.3Å; A575-E579 WeakPolarHBondContact CA-OE2 3.42Å; A575-E579 HydrophobicContact CB-CB 4.42Å; N576-E579 PolarHBondContact N-OE2 3.31Å; N576-E579 WeakPolarHBondContact ND2-CG 3.18Å; N576-E579 PolarHBondContact ND2-OE2 3.33Å; N576-E579 VanDerWaalsContact ND2-OE2 3.12Å; N576-E579 PolarHBondContact OD1-N 2.82Å; E579-Q581 VanDerWaalsContact C-N 3.3Å; E579-Q581 PolarHBondContact O-N 3.01Å; E579-S582 WeakPolarHBondContact O-CB 3.44Å; E579-S582 PolarHBondContact O-N 3.03Å; E579-S582 PolarHBondContact O-OG 3.37Å; E579-I690 HydrophobicContact CB-CG2 4.45Å; E579-I690 WeakPolarHBondContact O-CG2 3.48Å; E579-Q694 HydrophobicContact CB-CG 4.37Å; E579-Q694 HydrophobicContact CG-CG 4.11Å
580	L	98.6	Very high	96.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-35.2	175.4	-58	169.2	0	0	0	112	A575 N576 L577 E578 S582 V583 H584 V589 R642 A645 F685 I690	A575-L580 HydrophobicContact CB-CD2 3.71Å; A575-L580 HydrophobicContact CB-CG 4.01Å; N576-L580 WeakPolarHBondContact O-CG 3.3Å; N576-L580 PolarHBondContact O-N 3.22Å; L577-L580 HydrophobicContact CD2-CD1 4.06Å; E578-L580 PolarHBondContact O-N 2.81Å; L580-S582 PolarHBondContact O-N 3.15Å; L580-V583 PolarHBondContact O-N 2.69Å; L580-H584 PolarHBondContact O-N 3.08Å; L580-V589 HydrophobicContact CB-CB 4.42Å; L580-V589 HydrophobicContact CB-CG1 3.8Å; L580-V589 HydrophobicContact CB-CG2 3.72Å; L580-V589 HydrophobicContact CD1-CG1 3.93Å; L580-R642 HydrophobicContact CD1-CG 3.89Å; L580-A645 HydrophobicContact CD2-CB 4.28Å; L580-F685 HydrophobicContact CB-CE1 4.36Å; L580-F685 HydrophobicContact CD1-CE1 4.2Å; L580-F685 HydrophobicContact CD1-CE2 4.13Å; L580-F685 HydrophobicContact CD1-CZ 3.89Å; L580-F685 HydrophobicContact CD2-CB 4.21Å; L580-F685 HydrophobicContact CD2-CD1 3.88Å; L580-F685 HydrophobicContact CD2-CD2 3.93Å; L580-F685 HydrophobicContact CD2-CE1 4.16Å; L580-F685 HydrophobicContact CD2-CE2 4.25Å; L580-F685 HydrophobicContact CD2-CG 3.75Å; L580-F685 HydrophobicContact CD2-CZ 4.36Å; L580-F685 HydrophobicContact CG-CE1 4.46Å; L580-I690 HydrophobicContact CD2-CD1 3.87Å
581	Q	98.4	Very high	96.2	Very high	85 Å²	85	49 Å²	49	40%	0.397	23%	0.225	S	C	.	.	H	α-helix	trans	-73.5	-8.5	178.4	-77.7	169.8	-0.1	0	0	114.3	L577 E578 E579 V583 H584 V589	L577-Q581 VanDerWaalsContact O-CB 3.27Å; L577-Q581 WeakPolarHBondContact O-CB 3.23Å; L577-Q581 WeakPolarHBondContact O-CG 3.2Å; L577-Q581 PolarHBondContact O-N 2.94Å; E578-Q581 CarbonylContact O-C 3.52Å; E578-Q581 WeakPolarHBondContact O-CA 3.04Å; E578-Q581 PolarHBondContact O-N 2.78Å; E578-Q581 VanDerWaalsContact O-N 3.09Å; E579-Q581 VanDerWaalsContact C-N 3.3Å; E579-Q581 PolarHBondContact O-N 3.01Å; Q581-V583 PolarHBondContact O-N 3.38Å; Q581-H584 WeakPolarHBondContact CA-O 3.47Å; Q581-V589 HydrophobicContact CG-CB 4.07Å; Q581-V589 HydrophobicContact CG-CG1 4.1Å; Q581-V589 HydrophobicContact CG-CG2 3.88Å
582	S	98.4	Very high	96	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.133	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10.2	170.4	71.7	0	0	0	0	113.9	E578 E579 L580 Q694	E578-S582 PolarHBondContact O-N 3.2Å; E578-S582 VanDerWaalsContact O-N 3.07Å; E579-S582 WeakPolarHBondContact O-CB 3.44Å; E579-S582 PolarHBondContact O-N 3.03Å; E579-S582 PolarHBondContact O-OG 3.37Å; L580-S582 PolarHBondContact O-N 3.15Å; S582-Q694 PolarHBondContact OG-NE2 3.12Å
583	V	98.6	Very high	95.8	Very high	15 Å²	15	38.5 Å²	38.5	9%	0.091	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-49.2	176.4	173.5	0	0	0	0	111.7	L580 Q581 P676 A689 I690 K693 V720	L580-V583 PolarHBondContact O-N 2.69Å; Q581-V583 PolarHBondContact O-N 3.38Å; V583-P676 WeakPolarHBondContact O-CB 3.38Å; V583-A689 HydrophobicContact CG1-CB 4.45Å; V583-A689 HydrophobicContact CG2-CB 4.06Å; V583-I690 HydrophobicContact CB-CG1 3.85Å; V583-I690 HydrophobicContact CG2-CB 4.31Å; V583-I690 HydrophobicContact CG2-CG1 3.61Å; V583-K693 HydrophobicContact CG2-CB 4.31Å; V583-K693 HydrophobicContact CG2-CG 3.87Å; V583-V720 HydrophobicContact CG1-CG1 4.13Å; V583-V720 HydrophobicContact CG1-CG2 3.62Å; V583-V720 HydrophobicContact CG2-CG1 4.1Å
584	H	98.6	Very high	95.3	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	17%	0.173	C	C	.	.	S	Bend	trans	-104.6	143.4	-171.2	-49.8	-90.2	0	0	0	112.7	L580 Q581 H588 V589 A674 D675 P676 F685 N686	L580-H584 PolarHBondContact O-N 3.08Å; Q581-H584 WeakPolarHBondContact CA-O 3.47Å; H584-H588 HydrophobicContact CB-CB 4.38Å; H584-H588 AromaticContact CG-CD2 3.87Å; H584-H588 AromaticContact ND1-NE2 3.83Å; H584-V589 HydrophobicContact CB-CG2 3.79Å; H584-V589 WeakPolarHBondContact O-CG2 3.45Å; H584-A674 PolarHBondContact CE1-O 2.79Å; H584-D675 PolarHBondContact CE1-O 3.08Å; H584-D675 PolarHBondContact ND1-O 3.39Å; H584-P676 CarbonylContact C-O 3.59Å; H584-P676 WeakPolarHBondContact CA-O 3.46Å; H584-F685 AromaticContact CD2-CD1 3.65Å; H584-F685 AromaticContact NE2-CD1 3.91Å; H584-N686 PolarHBondContact CE1-N 3.2Å; H584-N686 PolarHBondContact NE2-N 3.01Å
585	T	97.3	Very high	94.3	Very high	66 Å²	66	34.4 Å²	34.4	41%	0.405	17%	0.171	S	C	.	.			trans	-52.6	148.6	178	56.4	0	0	0	0	113.1	R587 H588 V589 P676	T585-R587 PolarHBondContact O-N 2.87Å; T585-H588 PolarHBondContact O-N 3.32Å; T585-H588 WeakPolarHBondContact OG1-CB 3.43Å; T585-H588 PolarHBondContact OG1-N 3.24Å; T585-V589 WeakPolarHBondContact O-CG2 3.46Å; T585-V589 PolarHBondContact O-N 2.64Å; T585-P676 WeakPolarHBondContact CG2-O 3.15Å; T585-P676 PolarHBondContact N-O 2.99Å; T585-P676 PolarHBondContact OG1-O 3.06Å; T585-P676 VanDerWaalsContact OG1-O 3.07Å
586	E	93.7	Very high	92.8	Very high	93 Å²	93	35.6 Å²	35.6	44%	0.435	18%	0.178	S	C	.	.	H	α-helix	trans	-48.3	-43.1	176.8	-179.2	-174.7	-162.5	0	0	111.3	V589 L590 K606	E586-V589 PolarHBondContact O-N 2.77Å; E586-L590 HydrophobicContact CG-CD1 3.8Å; E586-L590 HydrophobicContact CG-CG 4.14Å; E586-L590 WeakPolarHBondContact O-CB 3.44Å; E586-L590 VanDerWaalsContact O-CG 3.28Å; E586-L590 WeakPolarHBondContact O-CG 3.36Å; E586-L590 PolarHBondContact O-N 2.86Å; E586-K606 IonicContact OE1-NZ 2.71Å; E586-K606 PolarHBondContact OE1-NZ 3.42Å; E586-K606 IonicContact OE2-NZ 3.05Å; E586-K606 PolarHBondContact OE2-NZ 3.34Å
587	R	90.3	Very high	91.3	Very high	104 Å²	104	38.2 Å²	38.2	39%	0.392	19%	0.192	S	C	.	.	H	α-helix	trans	-59.3	-51.4	179.4	-179.9	179.6	171.9	170.8	-0.5	112.2	T585 L590 L591 I610 M615	T585-R587 PolarHBondContact O-N 2.87Å; R587-L590 PolarHBondContact O-N 3.01Å; R587-L591 WeakPolarHBondContact O-CB 3.47Å; R587-L591 PolarHBondContact O-N 3.1Å; R587-I610 HydrophobicContact CG-CG1 4.48Å; R587-M615 PolarHBondContact NH2-SD 3.1Å
588	H	94	Very high	89.7	Confident	3 Å²	3	39.5 Å²	39.5	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-45.2	-179.9	177.8	107.8	0	0	0	110.6	H584 T585 L590 L591 Y592 S677 Y684 F685	H584-H588 HydrophobicContact CB-CB 4.38Å; H584-H588 AromaticContact CG-CD2 3.87Å; H584-H588 AromaticContact ND1-NE2 3.83Å; T585-H588 PolarHBondContact O-N 3.32Å; T585-H588 WeakPolarHBondContact OG1-CB 3.43Å; T585-H588 PolarHBondContact OG1-N 3.24Å; H588-L590 PolarHBondContact O-N 3.46Å; H588-L591 PolarHBondContact O-N 3.27Å; H588-L591 VanDerWaalsContact O-N 3.17Å; H588-Y592 AromaticContact CD2-CD2 3.93Å; H588-Y592 AromaticContact CE1-CD2 3.59Å; H588-Y592 AromaticContact CE1-CE2 3.84Å; H588-Y592 AromaticContact CG-CD2 3.87Å; H588-Y592 AromaticContact ND1-CD2 3.66Å; H588-Y592 AromaticContact ND1-CE2 3.65Å; H588-Y592 AromaticContact NE2-CD2 3.72Å; H588-Y592 WeakPolarHBondContact O-CD2 3.42Å; H588-Y592 PolarHBondContact O-N 2.87Å; H588-S677 PolarHBondContact ND1-O 2.79Å; H588-Y684 PolarHBondContact NE2-O 3.47Å; H588-F685 AromaticContact CD2-CE1 3.63Å; H588-F685 AromaticContact NE2-CD1 3.84Å; H588-F685 AromaticContact NE2-CE1 3.73Å
589	V	95.4	Very high	88.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.2	-38.2	178	175.5	0	0	0	0	112.7	L577 L580 Q581 H584 T585 E586 G593 F685	L577-V589 HydrophobicContact CB-CG1 4.13Å; L577-V589 HydrophobicContact CD2-CG1 3.92Å; L580-V589 HydrophobicContact CB-CB 4.42Å; L580-V589 HydrophobicContact CB-CG1 3.8Å; L580-V589 HydrophobicContact CB-CG2 3.72Å; L580-V589 HydrophobicContact CD1-CG1 3.93Å; Q581-V589 HydrophobicContact CG-CB 4.07Å; Q581-V589 HydrophobicContact CG-CG1 4.1Å; Q581-V589 HydrophobicContact CG-CG2 3.88Å; H584-V589 HydrophobicContact CB-CG2 3.79Å; H584-V589 WeakPolarHBondContact O-CG2 3.45Å; T585-V589 WeakPolarHBondContact O-CG2 3.46Å; T585-V589 PolarHBondContact O-N 2.64Å; E586-V589 PolarHBondContact O-N 2.77Å; V589-G593 WeakPolarHBondContact O-CA 3.29Å; V589-G593 PolarHBondContact O-N 2.84Å; V589-F685 HydrophobicContact CG2-CE1 4.2Å
590	L	90.8	Very high	86.3	Confident	17 Å²	17	40.2 Å²	40.2	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-41	173.3	-72.9	176.9	0	0	0	111.9	E586 R587 H588 T594 L602 I610	E586-L590 HydrophobicContact CG-CD1 3.8Å; E586-L590 HydrophobicContact CG-CG 4.14Å; E586-L590 WeakPolarHBondContact O-CB 3.44Å; E586-L590 VanDerWaalsContact O-CG 3.28Å; E586-L590 WeakPolarHBondContact O-CG 3.36Å; E586-L590 PolarHBondContact O-N 2.86Å; R587-L590 PolarHBondContact O-N 3.01Å; H588-L590 PolarHBondContact O-N 3.46Å; L590-T594 HydrophobicContact CD2-CG2 4.13Å; L590-T594 PolarHBondContact O-OG1 3.28Å; L590-L602 HydrophobicContact CD2-CD1 3.99Å; L590-L602 HydrophobicContact CD2-CD2 4.38Å; L590-I610 HydrophobicContact CB-CD1 4.41Å; L590-I610 HydrophobicContact CD1-CD1 4.36Å
591	L	88.6	Confident	84.4	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-69.7	-44.5	-176.7	-179.7	57.8	0	0	0	113	R587 H588 R599 I610 M615 F616	R587-L591 WeakPolarHBondContact O-CB 3.47Å; R587-L591 PolarHBondContact O-N 3.1Å; H588-L591 PolarHBondContact O-N 3.27Å; H588-L591 VanDerWaalsContact O-N 3.17Å; L591-R599 PolarHBondContact O-NH2 2.79Å; L591-I610 HydrophobicContact CD1-CG2 4Å; L591-M615 HydrophobicContact CD2-CB 4.43Å; L591-M615 HydrophobicContact CD2-CE 3.58Å; L591-M615 HydrophobicContact CD2-SD 3.44Å; L591-M615 WeakPolarHBondContact CD2-SD 3.31Å; L591-F616 HydrophobicContact CD1-CE2 4.42Å; L591-F616 HydrophobicContact CD1-CZ 4.4Å
592	Y	92.6	Very high	82.6	Confident	6 Å²	6	47 Å²	47	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-102.8	-25.1	-176.8	-54.9	-62.5	0	0	0	113.2	H588 F616 V626 W632 S638 P679 Y684	H588-Y592 AromaticContact CD2-CD2 3.93Å; H588-Y592 AromaticContact CE1-CD2 3.59Å; H588-Y592 AromaticContact CE1-CE2 3.84Å; H588-Y592 AromaticContact CG-CD2 3.87Å; H588-Y592 AromaticContact ND1-CD2 3.66Å; H588-Y592 AromaticContact ND1-CE2 3.65Å; H588-Y592 AromaticContact NE2-CD2 3.72Å; H588-Y592 WeakPolarHBondContact O-CD2 3.42Å; H588-Y592 PolarHBondContact O-N 2.87Å; Y592-F616 HydrophobicContact CE1-CE1 4.01Å; Y592-F616 HydrophobicContact CE1-CZ 4.12Å; Y592-V626 HydrophobicContact CE1-CG1 3.7Å; Y592-W632 HydrophobicContact CD1-CE3 4.17Å; Y592-W632 HydrophobicContact CD1-CH2 4.21Å; Y592-W632 AromaticContact CD1-CZ3 3.73Å; Y592-W632 HydrophobicContact CD1-CZ3 3.73Å; Y592-S638 VanDerWaalsContact O-CA 3.28Å; Y592-S638 WeakPolarHBondContact O-CA 3.25Å; Y592-S638 WeakPolarHBondContact O-CB 3.37Å; Y592-S638 PolarHBondContact O-OG 3.27Å; Y592-P679 HydrophobicContact CD2-CG 4.45Å; Y592-P679 HydrophobicContact CE1-CG 4.25Å; Y592-P679 HydrophobicContact CE2-CG 3.73Å; Y592-Y684 AromaticContact CD1-CD1 3.95Å; Y592-Y684 HydrophobicContact CD1-CD1 3.95Å; Y592-Y684 AromaticContact CD1-CE1 3.77Å; Y592-Y684 HydrophobicContact CD1-CE1 3.77Å; Y592-Y684 HydrophobicContact CE1-CE1 4.1Å; Y592-Y684 AromaticContact CG-CD1 3.99Å; Y592-Y684 HydrophobicContact CG-CD1 3.99Å; Y592-Y684 HydrophobicContact CG-CE1 4.29Å
593	G	92.3	Very high	80.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-91	-4.1	-176.2	0	0	0	0	0	115.4	V589 R642	V589-G593 WeakPolarHBondContact O-CA 3.29Å; V589-G593 PolarHBondContact O-N 2.84Å; G593-R642 WeakPolarHBondContact O-CD 3.4Å; G593-R642 PolarHBondContact O-NH1 3.49Å
594	T	88	Confident	78.6	Confident	12 Å²	12	55.9 Å²	55.9	7%	0.074	28%	0.281	C	S	.	.	S	Bend	trans	-121.6	142.6	176.2	75.4	0	0	0	0	112.5	L577 L590 R599 L602 S638	L577-T594 HydrophobicContact CD1-CG2 4.17Å; L577-T594 HydrophobicContact CD2-CG2 4.42Å; L590-T594 HydrophobicContact CD2-CG2 4.13Å; L590-T594 PolarHBondContact O-OG1 3.28Å; T594-R599 PolarHBondContact O-NE 3.04Å; T594-R599 PolarHBondContact O-NH2 3.42Å; T594-R599 WeakPolarHBondContact OG1-CG 3.45Å; T594-R599 PolarHBondContact OG1-NE 3.43Å; T594-L602 HydrophobicContact CG2-CD1 4.48Å; T594-S638 PolarHBondContact N-OG 3.28Å; T594-S638 PolarHBondContact O-OG 3.25Å
595	N	77.8	Confident	76.8	Confident	53 Å²	53	66.1 Å²	66.1	28%	0.283	32%	0.32	S	S	.	.			trans	-70.5	139	172.7	177.9	-79	0	0	0	110.7	L597 N598 R599	N595-L597 VanDerWaalsContact C-N 3.27Å; N595-L597 PolarHBondContact O-N 3.23Å; N595-L597 VanDerWaalsContact O-N 3.14Å; N595-L597 WeakPolarHBondContact OD1-CB 3.42Å; N595-L597 PolarHBondContact OD1-N 2.66Å; N595-N598 WeakPolarHBondContact O-CA 3.35Å; N595-N598 PolarHBondContact O-N 2.8Å; N595-R599 PolarHBondContact O-N 2.86Å
596	P	67.1	Low	74.9	Confident	25 Å²	25	68 Å²	68	16%	0.162	32%	0.322	C	S	.	.	H	α-helix	trans	-49.1	-38.5	179.5	-26.6	29.5	0	0	0	115.6	N598 R599 L600 E634	P596-N598 PolarHBondContact O-N 3.32Å; P596-R599 WeakPolarHBondContact O-CA 3.38Å; P596-R599 WeakPolarHBondContact O-CB 3.31Å; P596-R599 PolarHBondContact O-N 3.44Å; P596-L600 PolarHBondContact O-N 3.19Å; P596-L600 VanDerWaalsContact O-N 3.1Å; P596-E634 HydrophobicContact CG-CG 3.97Å; P596-E634 WeakPolarHBondContact CG-OE1 3.49Å
597	L	64.8	Low	73.1	Confident	122 Å²	122	64.1 Å²	64.1	64%	0.639	31%	0.305	S	S	*	.	H	α-helix	trans	-68.8	-19.5	178.9	-59.1	176.9	0	0	0	113.2	N595	N595-L597 VanDerWaalsContact C-N 3.27Å; N595-L597 PolarHBondContact O-N 3.23Å; N595-L597 VanDerWaalsContact O-N 3.14Å; N595-L597 WeakPolarHBondContact OD1-CB 3.42Å; N595-L597 PolarHBondContact OD1-N 2.66Å
598	N	63	Low	71.3	Confident	83 Å²	83	62 Å²	62	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-94.6	-23.3	170.1	-71.2	-23.6	0	0	0	112.1	N595 P596 L600 K601 L602	N595-N598 WeakPolarHBondContact O-CA 3.35Å; N595-N598 PolarHBondContact O-N 2.8Å; P596-N598 PolarHBondContact O-N 3.32Å; N598-L600 VanDerWaalsContact C-N 3.28Å; N598-L600 PolarHBondContact O-N 3.32Å; N598-K601 PolarHBondContact O-N 3.06Å; N598-K601 PolarHBondContact OD1-NZ 3.37Å; N598-L602 PolarHBondContact O-N 2.79Å
599	R	64.6	Low	69.5	Low	14 Å²	14	64.2 Å²	64.2	5%	0.053	33%	0.333	C	S	.	.	H	α-helix	trans	-56.9	-44.9	165.6	-63.5	-179	-151.6	157.1	10.5	110.2	L591 T594 N595 P596 K601 L602 L607	L591-R599 PolarHBondContact O-NH2 2.79Å; T594-R599 PolarHBondContact O-NE 3.04Å; T594-R599 PolarHBondContact O-NH2 3.42Å; T594-R599 WeakPolarHBondContact OG1-CG 3.45Å; T594-R599 PolarHBondContact OG1-NE 3.43Å; N595-R599 PolarHBondContact O-N 2.86Å; P596-R599 WeakPolarHBondContact O-CA 3.38Å; P596-R599 WeakPolarHBondContact O-CB 3.31Å; P596-R599 PolarHBondContact O-N 3.44Å; R599-K601 PolarHBondContact O-N 2.95Å; R599-L602 WeakPolarHBondContact O-CB 3.47Å; R599-L602 PolarHBondContact O-N 3Å; R599-L607 VanDerWaalsContact C-CD2 3.48Å; R599-L607 HydrophobicContact CB-CD1 4.06Å; R599-L607 HydrophobicContact CB-CD2 4.2Å; R599-L607 HydrophobicContact CB-CG 4.49Å; R599-L607 WeakPolarHBondContact O-CD1 3.48Å; R599-L607 WeakPolarHBondContact O-CD2 3.49Å
600	L	59.1	Low	67.6	Low	118 Å²	118	65.1 Å²	65.1	62%	0.618	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-3.3	174.5	-63.4	175.1	0	0	0	115.3	P596 N598 L607	P596-L600 PolarHBondContact O-N 3.19Å; P596-L600 VanDerWaalsContact O-N 3.1Å; N598-L600 VanDerWaalsContact C-N 3.28Å; N598-L600 PolarHBondContact O-N 3.32Å; L600-L607 HydrophobicContact CD2-CD2 4.36Å
601	K	59.2	Low	65.8	Low	160 Å²	160	69.2 Å²	69.2	70%	0.696	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-9.9	173	-58.1	174	-169.6	159.5	0	113.2	N598 R599	N598-K601 PolarHBondContact O-N 3.06Å; N598-K601 PolarHBondContact OD1-NZ 3.37Å; R599-K601 PolarHBondContact O-N 2.95Å
602	L	61.1	Low	63.9	Low	66 Å²	66	73.8 Å²	73.8	35%	0.346	39%	0.391	S	S	.	.	S	Bend	trans	-78.3	153.2	169	-80	148.4	0	0	0	109	L590 T594 N598 R599 N604 L607	L590-L602 HydrophobicContact CD2-CD1 3.99Å; L590-L602 HydrophobicContact CD2-CD2 4.38Å; T594-L602 HydrophobicContact CG2-CD1 4.48Å; N598-L602 PolarHBondContact O-N 2.79Å; R599-L602 WeakPolarHBondContact O-CB 3.47Å; R599-L602 PolarHBondContact O-N 3Å; L602-N604 PolarHBondContact O-N 3.43Å; L602-N604 VanDerWaalsContact O-N 3.14Å; L602-L607 HydrophobicContact CB-CD1 3.93Å
603	D	57.8	Low	62.1	Low	103 Å²	103	78.8 Å²	78.8	55%	0.551	42%	0.415	S	S	*	.			trans	-53.7	121.1	-172.7	-176.9	-6.2	0	0	0	111.6	R605 K606 L607	D603-R605 PolarHBondContact O-N 2.75Å; D603-R605 PolarHBondContact OD1-N 3.35Å; D603-R605 VanDerWaalsContact OD1-N 3.12Å; D603-K606 PolarHBondContact O-N 2.92Å; D603-L607 PolarHBondContact O-N 2.84Å; D603-L607 VanDerWaalsContact O-N 3.15Å
604	N	55.5	Low	60.3	Low	118 Å²	118	90.5 Å²	90.5	63%	0.631	46%	0.459	S	S	*	.	H	α-helix	trans	-49.7	-28.6	-178.4	-78.2	-13.8	0	0	0	113	L602 L607 A608	L602-N604 PolarHBondContact O-N 3.43Å; L602-N604 VanDerWaalsContact O-N 3.14Å; N604-L607 PolarHBondContact O-N 2.94Å; N604-A608 PolarHBondContact O-N 3.44Å
605	R	60.5	Low	59.5	Low	220 Å²	220	92.4 Å²	92.4	83%	0.83	47%	0.468	S	S	*	.	H	α-helix	trans	-68	-37.6	176.3	-68.8	-179.9	172.2	-175.7	-1.3	113.5	D603	D603-R605 PolarHBondContact O-N 2.75Å; D603-R605 PolarHBondContact OD1-N 3.35Å; D603-R605 VanDerWaalsContact OD1-N 3.12Å
606	K	56.7	Low	59.9	Low	105 Å²	105	92.8 Å²	92.8	46%	0.457	47%	0.467	S	S	.	.	H	α-helix	trans	-72.1	-37.2	170.5	-70.1	-158.1	178.5	-161.4	0	110.7	E586 D603 I610	E586-K606 IonicContact OE1-NZ 2.71Å; E586-K606 PolarHBondContact OE1-NZ 3.42Å; E586-K606 IonicContact OE2-NZ 3.05Å; E586-K606 PolarHBondContact OE2-NZ 3.34Å; D603-K606 PolarHBondContact O-N 2.92Å; K606-I610 WeakPolarHBondContact O-CG1 3.36Å
607	L	55.9	Low	60.9	Low	12 Å²	12	94.5 Å²	94.5	6%	0.063	48%	0.477	C	S	.	.	H	α-helix	trans	-67.8	-39	-176.5	-121.9	73.2	0	0	0	114.4	R599 L600 L602 D603 N604 G609 I610 L611	R599-L607 VanDerWaalsContact C-CD2 3.48Å; R599-L607 HydrophobicContact CB-CD1 4.06Å; R599-L607 HydrophobicContact CB-CD2 4.2Å; R599-L607 HydrophobicContact CB-CG 4.49Å; R599-L607 WeakPolarHBondContact O-CD1 3.48Å; R599-L607 WeakPolarHBondContact O-CD2 3.49Å; L600-L607 HydrophobicContact CD2-CD2 4.36Å; L602-L607 HydrophobicContact CB-CD1 3.93Å; D603-L607 PolarHBondContact O-N 2.84Å; D603-L607 VanDerWaalsContact O-N 3.15Å; N604-L607 PolarHBondContact O-N 2.94Å; L607-G609 VanDerWaalsContact C-N 3.29Å; L607-G609 PolarHBondContact O-N 3.3Å; L607-I610 PolarHBondContact O-N 3.07Å; L607-L611 HydrophobicContact CB-CD1 4.48Å; L607-L611 HydrophobicContact CD2-CD1 3.78Å; L607-L611 HydrophobicContact CG-CD1 4.02Å; L607-L611 HydrophobicContact CG-CG 4.31Å; L607-L611 PolarHBondContact O-N 2.91Å
608	A	53.4	Low	62.1	Low	58 Å²	58	96.6 Å²	96.6	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-57.7	-39.4	-175.9	0	0	0	0	0	113	N604 S612	N604-A608 PolarHBondContact O-N 3.44Å; A608-S612 WeakPolarHBondContact O-CB 3.41Å; A608-S612 PolarHBondContact O-N 2.82Å; A608-S612 PolarHBondContact O-OG 2.83Å
609	G	55.6	Low	63.4	Low	50 Å²	50	92.9 Å²	92.9	52%	0.515	47%	0.466	S	S	.	.	H	α-helix	trans	-72.3	-31.3	175.8	0	0	0	0	0	113.9	L607	L607-G609 VanDerWaalsContact C-N 3.29Å; L607-G609 PolarHBondContact O-N 3.3Å
610	I	55.5	Low	64.6	Low	20 Å²	20	98.4 Å²	98.4	10%	0.103	50%	0.503	C	S	.	.	H	α-helix	trans	-78	-41.5	-179	-63.2	171.9	0	0	0	111.1	R587 L590 L591 K606 L607	R587-I610 HydrophobicContact CG-CG1 4.48Å; L590-I610 HydrophobicContact CB-CD1 4.41Å; L590-I610 HydrophobicContact CD1-CD1 4.36Å; L591-I610 HydrophobicContact CD1-CG2 4Å; K606-I610 WeakPolarHBondContact O-CG1 3.36Å; L607-I610 PolarHBondContact O-N 3.07Å
611	L	51.9	Low	66.2	Low	102 Å²	102	94.8 Å²	94.8	53%	0.534	49%	0.487	S	S	.	.	H	α-helix	trans	-80.7	-12.5	-177.1	-64.9	179.6	0	0	0	114.3	L607 Q613	L607-L611 HydrophobicContact CB-CD1 4.48Å; L607-L611 HydrophobicContact CD2-CD1 3.78Å; L607-L611 HydrophobicContact CG-CD1 4.02Å; L607-L611 HydrophobicContact CG-CG 4.31Å; L607-L611 PolarHBondContact O-N 2.91Å; L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 3.04Å
612	S	49.9	Very low	67.7	Low	102 Å²	102	89.7 Å²	89.7	71%	0.713	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.6	-178.3	-65.1	0	0	0	0	114.4	A608	A608-S612 WeakPolarHBondContact O-CB 3.41Å; A608-S612 PolarHBondContact O-N 2.82Å; A608-S612 PolarHBondContact O-OG 2.83Å
613	Q	54.8	Low	69.1	Low	111 Å²	111	86.6 Å²	86.6	52%	0.519	46%	0.464	S	S	.	.	S	Bend	trans	-109	134.8	177.7	-69.7	-172.3	-26.4	0	0	111.2	L611 M615	L611-Q613 VanDerWaalsContact C-N 3.3Å; L611-Q613 PolarHBondContact O-N 3.04Å; Q613-M615 HydrophobicContact CB-CG 3.83Å; Q613-M615 HydrophobicContact CB-SD 4.38Å; Q613-M615 PolarHBondContact O-N 2.92Å
614	R	54.6	Low	70.8	Confident	247 Å²	247	84.3 Å²	84.3	93%	0.932	45%	0.454	S	S	*	.			trans	-74.2	74.3	173.3	-67.5	-178.5	178.4	177.3	-1.1	109.9	F616	R614-F616 VanDerWaalsContact C-N 3.28Å
615	M	71.3	Confident	72.5	Confident	51 Å²	51	78.7 Å²	78.7	25%	0.251	42%	0.424	S	S	.	.			trans	-88.6	9.2	179.9	-60.2	-169.3	70.9	0	0	113.7	R587 L591 Q613	R587-M615 PolarHBondContact NH2-SD 3.1Å; L591-M615 HydrophobicContact CD2-CB 4.43Å; L591-M615 HydrophobicContact CD2-CE 3.58Å; L591-M615 HydrophobicContact CD2-SD 3.44Å; L591-M615 WeakPolarHBondContact CD2-SD 3.31Å; Q613-M615 HydrophobicContact CB-CG 3.83Å; Q613-M615 HydrophobicContact CB-SD 4.38Å; Q613-M615 PolarHBondContact O-N 2.92Å
616	F	85.2	Confident	73.9	Confident	61 Å²	61	69.4 Å²	69.4	27%	0.268	39%	0.391	S	S	.	.			trans	-130.6	136.7	172.4	-61.3	-66.9	0	0	0	109.4	L591 Y592 R614 V624 G625 V626 W632	L591-F616 HydrophobicContact CD1-CE2 4.42Å; L591-F616 HydrophobicContact CD1-CZ 4.4Å; Y592-F616 HydrophobicContact CE1-CE1 4.01Å; Y592-F616 HydrophobicContact CE1-CZ 4.12Å; R614-F616 VanDerWaalsContact C-N 3.28Å; F616-V624 HydrophobicContact CB-CG1 3.85Å; F616-V624 HydrophobicContact CD1-CG1 4.49Å; F616-V624 HydrophobicContact CG-CG1 4.38Å; F616-G625 CarbonylContact C-O 3.53Å; F616-G625 WeakPolarHBondContact CA-O 3.15Å; F616-V626 HydrophobicContact CD1-CG1 3.72Å; F616-V626 HydrophobicContact CE1-CG1 3.61Å; F616-W632 HydrophobicContact CD1-CB 3.96Å; F616-W632 AromaticContact CD1-CD1 3.7Å; F616-W632 HydrophobicContact CD1-CD2 4.33Å; F616-W632 AromaticContact CD1-CG 3.71Å; F616-W632 HydrophobicContact CD1-CG 3.71Å; F616-W632 HydrophobicContact CE1-CB 3.96Å; F616-W632 AromaticContact CE1-CD1 3.46Å; F616-W632 VanDerWaalsContact CE1-CD1 3.46Å; F616-W632 AromaticContact CE1-CD2 3.47Å; F616-W632 HydrophobicContact CE1-CD2 3.47Å; F616-W632 VanDerWaalsContact CE1-CD2 3.47Å; F616-W632 AromaticContact CE1-CE2 3.73Å; F616-W632 HydrophobicContact CE1-CE3 4.12Å; F616-W632 AromaticContact CE1-CG 3.34Å; F616-W632 HydrophobicContact CE1-CG 3.34Å; F616-W632 AromaticContact CE1-NE1 3.66Å; F616-W632 AromaticContact CZ-CD1 3.91Å; F616-W632 AromaticContact CZ-CD2 3.94Å; F616-W632 HydrophobicContact CZ-CD2 3.94Å; F616-W632 AromaticContact CZ-CE2 3.68Å; F616-W632 HydrophobicContact CZ-CG 4.1Å; F616-W632 HydrophobicContact CZ-CZ2 4.2Å; F616-W632 AromaticContact CZ-NE1 3.63Å
617	V	87.9	Confident	75.5	Confident	62 Å²	62	66.2 Å²	66.2	38%	0.376	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	154.8	178.9	-64.2	0	0	0	0	110.6	L619 V624 G625 D627	V617-L619 HydrophobicContact CG2-CD2 4.47Å; V617-V624 WeakPolarHBondContact O-CA 3.33Å; V617-G625 PolarHBondContact N-O 3.37Å; V617-G625 PolarHBondContact O-N 2.91Å; V617-D627 WeakPolarHBondContact CG2-O 3.48Å
618	M	89.9	Confident	76.9	Confident	165 Å²	165	71.9 Å²	71.9	81%	0.813	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.9	168	-177.2	178.1	-70	0	0	108.3
619	L	91.5	Very high	78.5	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.031	40%	0.4	C	S	.	.			trans	-76.5	154.1	-179.5	-64.3	173.7	0	0	0	111	V617 C621 G622 G623 V624 D627 I631	V617-L619 HydrophobicContact CG2-CD2 4.47Å; L619-C621 VanDerWaalsContact CB-SG 3.6Å; L619-C621 PolarHBondContact O-N 2.81Å; L619-C621 VanDerWaalsContact O-N 3.09Å; L619-G622 PolarHBondContact O-N 3.24Å; L619-G623 PolarHBondContact N-O 2.79Å; L619-V624 WeakPolarHBondContact CD1-O 3.46Å; L619-D627 WeakPolarHBondContact CD2-O 3.23Å; L619-I631 HydrophobicContact CD1-CB 4.28Å; L619-I631 HydrophobicContact CD1-CG2 3.78Å
620	P	90	Very high	80.2	Confident	129 Å²	129	69.2 Å²	69.2	84%	0.838	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.8	175.4	-27.1	35.7	0	0	0	114.5	G622	P620-G622 PolarHBondContact O-N 2.81Å
621	C	92	Very high	82	Confident	43 Å²	43	68.7 Å²	68.7	29%	0.291	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	1.7	174.6	63.4	0	0	0	0	114.5	C538 H544 L619 G623	C538-C621 HydrophobicContact CB-CB 3.88Å; C538-C621 WeakPolarHBondContact CB-O 3.47Å; H544-C621 PolarHBondContact NE2-SG 2.6Å; L619-C621 VanDerWaalsContact CB-SG 3.6Å; L619-C621 PolarHBondContact O-N 2.81Å; L619-C621 VanDerWaalsContact O-N 3.09Å; C621-G623 VanDerWaalsContact C-N 3.26Å; C621-G623 PolarHBondContact O-N 2.82Å
622	G	90.6	Very high	84	Confident	53 Å²	53	64.2 Å²	64.2	55%	0.546	35%	0.349	S	S	.	.	S	Bend	trans	79.3	4.9	-172.9	0	0	0	0	0	114.4	L619 P620	L619-G622 PolarHBondContact O-N 3.24Å; P620-G622 PolarHBondContact O-N 2.81Å
623	G	91.4	Very high	86	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.			trans	-77	-174.7	170.8	0	0	0	0	0	113.7	L619 C621	L619-G623 PolarHBondContact N-O 2.79Å; C621-G623 VanDerWaalsContact C-N 3.26Å; C621-G623 PolarHBondContact O-N 2.82Å
624	V	91.9	Very high	87.5	Confident	56 Å²	56	59.5 Å²	59.5	34%	0.339	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.1	169.5	-178.5	0	0	0	0	108.3	F616 V617 L619 W632	F616-V624 HydrophobicContact CB-CG1 3.85Å; F616-V624 HydrophobicContact CD1-CG1 4.49Å; F616-V624 HydrophobicContact CG-CG1 4.38Å; V617-V624 WeakPolarHBondContact O-CA 3.33Å; L619-V624 WeakPolarHBondContact CD1-O 3.46Å; V624-W632 HydrophobicContact CG1-CB 4.4Å; V624-W632 PolarHBondContact O-N 3.14Å
625	G	92.4	Very high	89.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	176	176.5	0	0	0	0	0	111.5	F616 V617 T630	F616-G625 CarbonylContact C-O 3.53Å; F616-G625 WeakPolarHBondContact CA-O 3.15Å; V617-G625 PolarHBondContact N-O 3.37Å; V617-G625 PolarHBondContact O-N 2.91Å; G625-T630 VanDerWaalsContact CA-O 3.28Å; G625-T630 WeakPolarHBondContact CA-O 3.25Å
626	V	90.6	Very high	90.2	Very high	24 Å²	24	52.1 Å²	52.1	15%	0.145	30%	0.3	C	S	.	.	S	Bend	trans	-91.7	-33.9	166.9	-69.7	0	0	0	0	111.4	Y592 F616 T630 P679 Y684	Y592-V626 HydrophobicContact CE1-CG1 3.7Å; F616-V626 HydrophobicContact CD1-CG1 3.72Å; F616-V626 HydrophobicContact CE1-CG1 3.61Å; V626-T630 HydrophobicContact CG2-CG2 3.51Å; V626-T630 PolarHBondContact N-O 3.47Å; V626-P679 HydrophobicContact CB-CG 4.18Å; V626-P679 HydrophobicContact CG1-CG 4.22Å; V626-P679 HydrophobicContact CG2-CB 4.23Å; V626-P679 HydrophobicContact CG2-CG 3.81Å; V626-Y684 HydrophobicContact CG1-CE1 4.08Å; V626-Y684 HydrophobicContact CG2-CE1 4.32Å
627	D	88.6	Confident	90.7	Very high	39 Å²	39	49.2 Å²	49.2	21%	0.209	29%	0.287	C	S	.	.	S	Bend	trans	-130.4	-149.2	172.3	52.8	34.8	0	0	0	108.6	V617 L619 D629 T630	V617-D627 WeakPolarHBondContact CG2-O 3.48Å; L619-D627 WeakPolarHBondContact CD2-O 3.23Å; D627-D629 PolarHBondContact OD1-N 2.89Å; D627-T630 WeakPolarHBondContact OD1-CA 3.39Å; D627-T630 WeakPolarHBondContact OD1-CB 3.32Å; D627-T630 PolarHBondContact OD1-N 3.29Å; D627-T630 PolarHBondContact OD1-OG1 3.14Å; D627-T630 WeakPolarHBondContact OD2-CB 3.36Å; D627-T630 PolarHBondContact OD2-OG1 3.06Å
628	N	85.8	Confident	91	Very high	130 Å²	130	46.6 Å²	46.6	70%	0.695	27%	0.272	S	S	*	.	S	Bend	trans	-87.5	-18.6	-178.4	-68.7	-44.4	0	0	0	114.3
629	D	86.9	Confident	91.4	Very high	52 Å²	52	40.7 Å²	40.7	28%	0.278	25%	0.245	S	C	.	.	S	Bend	trans	-120.4	-39.7	-165.6	48.5	-74.2	0	0	0	112	D627 I631 G681 F682	D627-D629 PolarHBondContact OD1-N 2.89Å; D629-I631 PolarHBondContact O-N 3.31Å; D629-G681 WeakPolarHBondContact OD2-CA 3.48Å; D629-G681 PolarHBondContact OD2-N 3.5Å; D629-F682 HydrophobicContact CB-CD1 4.38Å; D629-F682 HydrophobicContact CB-CE1 3.86Å; D629-F682 HydrophobicContact CB-CZ 4.44Å; D629-F682 WeakPolarHBondContact O-CD1 3.46Å
630	T	91.9	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-81.4	91.8	-179.6	-50.1	0	0	0	0	111.2	G625 V626 D627 G681 F682 Y684	G625-T630 VanDerWaalsContact CA-O 3.28Å; G625-T630 WeakPolarHBondContact CA-O 3.25Å; V626-T630 HydrophobicContact CG2-CG2 3.51Å; V626-T630 PolarHBondContact N-O 3.47Å; D627-T630 WeakPolarHBondContact OD1-CA 3.39Å; D627-T630 WeakPolarHBondContact OD1-CB 3.32Å; D627-T630 PolarHBondContact OD1-N 3.29Å; D627-T630 PolarHBondContact OD1-OG1 3.14Å; D627-T630 WeakPolarHBondContact OD2-CB 3.36Å; D627-T630 PolarHBondContact OD2-OG1 3.06Å; T630-G681 PolarHBondContact OG1-N 2.9Å; T630-F682 WeakPolarHBondContact OG1-CA 3.23Å; T630-F682 PolarHBondContact OG1-N 2.89Å; T630-Y684 HydrophobicContact CG2-CD2 4.09Å; T630-Y684 HydrophobicContact CG2-CE1 4.23Å; T630-Y684 HydrophobicContact CG2-CE2 3.43Å; T630-Y684 VanDerWaalsContact CG2-CE2 3.43Å; T630-Y684 PolarHBondContact O-OH 2.86Å
631	I	94	Very high	92	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.051	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-71.6	141.9	-175.4	72.7	89.7	0	0	0	113.4	H534 C536 L619 D629 Y684	H534-I631 VanDerWaalsContact CE1-CD1 3.48Å; H534-I631 WeakPolarHBondContact CE1-CD1 3.32Å; H534-I631 PolarHBondContact CE1-O 3.03Å; H534-I631 VanDerWaalsContact CE1-O 3.27Å; C536-I631 HydrophobicContact CB-CB 4.17Å; C536-I631 HydrophobicContact CB-CD1 4.26Å; C536-I631 HydrophobicContact CB-CG1 4.27Å; C536-I631 HydrophobicContact CB-CG2 4.13Å; L619-I631 HydrophobicContact CD1-CB 4.28Å; L619-I631 HydrophobicContact CD1-CG2 3.78Å; D629-I631 PolarHBondContact O-N 3.31Å; I631-Y684 PolarHBondContact O-OH 3.3Å; I631-Y684 VanDerWaalsContact O-OH 3.05Å
632	W	93.1	Very high	92.4	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.027	20%	0.2	C	C	.	.			trans	-119.2	105.3	178.7	-179.2	-101.3	0	0	0	112.4	Y592 F616 V624 E634 T637 Y684	Y592-W632 HydrophobicContact CD1-CE3 4.17Å; Y592-W632 HydrophobicContact CD1-CH2 4.21Å; Y592-W632 AromaticContact CD1-CZ3 3.73Å; Y592-W632 HydrophobicContact CD1-CZ3 3.73Å; F616-W632 HydrophobicContact CD1-CB 3.96Å; F616-W632 AromaticContact CD1-CD1 3.7Å; F616-W632 HydrophobicContact CD1-CD2 4.33Å; F616-W632 AromaticContact CD1-CG 3.71Å; F616-W632 HydrophobicContact CD1-CG 3.71Å; F616-W632 HydrophobicContact CE1-CB 3.96Å; F616-W632 AromaticContact CE1-CD1 3.46Å; F616-W632 VanDerWaalsContact CE1-CD1 3.46Å; F616-W632 AromaticContact CE1-CD2 3.47Å; F616-W632 HydrophobicContact CE1-CD2 3.47Å; F616-W632 VanDerWaalsContact CE1-CD2 3.47Å; F616-W632 AromaticContact CE1-CE2 3.73Å; F616-W632 HydrophobicContact CE1-CE3 4.12Å; F616-W632 AromaticContact CE1-CG 3.34Å; F616-W632 HydrophobicContact CE1-CG 3.34Å; F616-W632 AromaticContact CE1-NE1 3.66Å; F616-W632 AromaticContact CZ-CD1 3.91Å; F616-W632 AromaticContact CZ-CD2 3.94Å; F616-W632 HydrophobicContact CZ-CD2 3.94Å; F616-W632 AromaticContact CZ-CE2 3.68Å; F616-W632 HydrophobicContact CZ-CG 4.1Å; F616-W632 HydrophobicContact CZ-CZ2 4.2Å; F616-W632 AromaticContact CZ-NE1 3.63Å; V624-W632 HydrophobicContact CG1-CB 4.4Å; V624-W632 PolarHBondContact O-N 3.14Å; W632-E634 PolarHBondContact NE1-OE2 2.96Å; W632-T637 HydrophobicContact CE3-CG2 3.52Å; W632-T637 HydrophobicContact CZ3-CG2 3.53Å; W632-Y684 AromaticContact CE3-CE1 3.71Å; W632-Y684 HydrophobicContact CE3-CE1 3.71Å; W632-Y684 AromaticContact CE3-CZ 3.73Å; W632-Y684 HydrophobicContact CZ3-CD1 4.43Å; W632-Y684 HydrophobicContact CZ3-CE1 4.02Å
633	N	92.3	Very high	92.7	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	18%	0.175	C	C	.	.			trans	-90.8	103.6	167.1	-172.4	-55.6	0	0	0	109.4	Q535 S635 H636 T637	Q535-N633 WeakPolarHBondContact O-CB 3.41Å; Q535-N633 PolarHBondContact O-ND2 2.81Å; N633-S635 PolarHBondContact O-N 2.82Å; N633-S635 PolarHBondContact OD1-N 2.94Å; N633-S635 VanDerWaalsContact OD1-N 3.16Å; N633-H636 HydrophobicContact CB-CB 4.37Å; N633-H636 PolarHBondContact O-N 2.79Å; N633-H636 PolarHBondContact OD1-N 3.34Å; N633-T637 PolarHBondContact N-OG1 2.74Å; N633-T637 PolarHBondContact O-N 2.95Å
634	E	86.6	Confident	93.1	Very high	93 Å²	93	32.5 Å²	32.5	44%	0.435	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-31.7	-178.2	-174.5	73.2	158	0	0	114.7	P596 W632	P596-E634 HydrophobicContact CG-CG 3.97Å; P596-E634 WeakPolarHBondContact CG-OE1 3.49Å; W632-E634 PolarHBondContact NE1-OE2 2.96Å
635	S	88.6	Confident	93.4	Very high	75 Å²	75	29.9 Å²	29.9	52%	0.524	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-23.6	179.7	-68.1	0	0	0	0	113.8	N633	N633-S635 PolarHBondContact O-N 2.82Å; N633-S635 PolarHBondContact OD1-N 2.94Å; N633-S635 VanDerWaalsContact OD1-N 3.16Å
636	H	93.7	Very high	93.7	Very high	69 Å²	69	29.9 Å²	29.9	32%	0.319	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-33.5	-159.1	-62.8	-24.4	0	0	0	116	K533 N633 S638 T639 A640	K533-H636 HydrophobicContact CB-CB 3.93Å; K533-H636 WeakPolarHBondContact O-CB 3.5Å; K533-H636 PolarHBondContact O-CD2 2.75Å; K533-H636 VanDerWaalsContact O-CD2 3.32Å; N633-H636 HydrophobicContact CB-CB 4.37Å; N633-H636 PolarHBondContact O-N 2.79Å; N633-H636 PolarHBondContact OD1-N 3.34Å; H636-S638 VanDerWaalsContact C-N 3.32Å; H636-S638 PolarHBondContact O-N 3.47Å; H636-T639 PolarHBondContact O-N 3.04Å; H636-A640 PolarHBondContact O-N 3.11Å
637	T	95.1	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-53.7	-50.2	-179.6	-63.2	0	0	0	0	110.8	H534 W632 N633 T639 A640 S641 Y684	H534-T637 PolarHBondContact CE1-OG1 3Å; H534-T637 PolarHBondContact ND1-OG1 2.85Å; W632-T637 HydrophobicContact CE3-CG2 3.52Å; W632-T637 HydrophobicContact CZ3-CG2 3.53Å; N633-T637 PolarHBondContact N-OG1 2.74Å; N633-T637 PolarHBondContact O-N 2.95Å; T637-T639 PolarHBondContact O-N 3.42Å; T637-A640 PolarHBondContact O-N 3.1Å; T637-S641 PolarHBondContact O-N 2.8Å; T637-S641 PolarHBondContact O-OG 3.25Å; T637-S641 VanDerWaalsContact O-OG 3.09Å; T637-Y684 HydrophobicContact CG2-CD1 4.45Å; T637-Y684 HydrophobicContact CG2-CD2 3.62Å; T637-Y684 HydrophobicContact CG2-CE1 4.34Å; T637-Y684 HydrophobicContact CG2-CE2 3.44Å; T637-Y684 VanDerWaalsContact CG2-CE2 3.44Å; T637-Y684 HydrophobicContact CG2-CG 4.12Å
638	S	95.1	Very high	94.6	Very high	7 Å²	7	27 Å²	27	5%	0.049	14%	0.143	C	C	.	.	H	α-helix	trans	-55	-26.7	177.6	-167	0	0	0	0	115.1	Y592 T594 H636 R642	Y592-S638 VanDerWaalsContact O-CA 3.28Å; Y592-S638 WeakPolarHBondContact O-CA 3.25Å; Y592-S638 WeakPolarHBondContact O-CB 3.37Å; Y592-S638 PolarHBondContact O-OG 3.27Å; T594-S638 PolarHBondContact N-OG 3.28Å; T594-S638 PolarHBondContact O-OG 3.25Å; H636-S638 VanDerWaalsContact C-N 3.32Å; H636-S638 PolarHBondContact O-N 3.47Å; S638-R642 WeakPolarHBondContact O-CD 3.32Å; S638-R642 VanDerWaalsContact O-CG 3.31Å; S638-R642 WeakPolarHBondContact O-CG 3.49Å
639	T	96.6	Very high	95.2	Very high	40 Å²	40	20.8 Å²	20.8	25%	0.245	11%	0.109	C	C	.	.	H	α-helix	trans	-85.4	-41.8	173.1	-92.2	0	0	0	0	111.9	Q530 K574 H636 T637 M643	Q530-T639 HydrophobicContact CB-CG2 4.09Å; Q530-T639 HydrophobicContact CG-CG2 4.49Å; K574-T639 PolarHBondContact NZ-OG1 2.82Å; H636-T639 PolarHBondContact O-N 3.04Å; T637-T639 PolarHBondContact O-N 3.42Å; T639-M643 WeakPolarHBondContact O-CB 3.42Å; T639-M643 VanDerWaalsContact O-CG 3.32Å; T639-M643 WeakPolarHBondContact O-CG 3.41Å; T639-M643 PolarHBondContact O-N 2.84Å
640	A	98.1	Very high	95.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-53.7	-179.1	0	0	0	0	0	112.1	H534 H636 T637 R642 M643 A644	H534-A640 HydrophobicContact CB-CB 3.41Å; H534-A640 VanDerWaalsContact CB-CB 3.41Å; H636-A640 PolarHBondContact O-N 3.11Å; T637-A640 PolarHBondContact O-N 3.1Å; A640-R642 PolarHBondContact O-N 3.37Å; A640-R642 VanDerWaalsContact O-N 3.16Å; A640-M643 CarbonylContact O-C 3.55Å; A640-M643 WeakPolarHBondContact O-CA 3.49Å; A640-M643 WeakPolarHBondContact O-CB 3.46Å; A640-M643 PolarHBondContact O-N 2.76Å; A640-A644 PolarHBondContact O-N 3.43Å
641	S	97.9	Very high	96.1	Very high	3 Å²	3	20 Å²	20	2%	0.021	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-31.8	-179.3	-37.8	0	0	0	0	112.1	T637 A645 P669 Y684	T637-S641 PolarHBondContact O-N 2.8Å; T637-S641 PolarHBondContact O-OG 3.25Å; T637-S641 VanDerWaalsContact O-OG 3.09Å; S641-A645 PolarHBondContact O-N 3.38Å; S641-P669 VanDerWaalsContact OG-CG 3.27Å; S641-P669 WeakPolarHBondContact OG-CG 3.39Å; S641-Y684 WeakPolarHBondContact OG-CB 3.33Å
642	R	98.4	Very high	96.4	Very high	52 Å²	52	19.6 Å²	19.6	20%	0.196	10%	0.102	C	C	.	.	H	α-helix	trans	-75.9	-32.7	172.7	-71.5	-174.9	56.3	-166.6	-3.6	113.5	K574 A575 L580 G593 S638 A640 G646 F685	K574-R642 CarbonylContact C-O 3.53Å; K574-R642 WeakPolarHBondContact CA-O 3.31Å; K574-R642 HydrophobicContact CB-CB 4.28Å; A575-R642 PolarHBondContact N-O 3.48Å; A575-R642 PolarHBondContact O-NE 3.31Å; A575-R642 PolarHBondContact O-NH2 3.05Å; L580-R642 HydrophobicContact CD1-CG 3.89Å; G593-R642 WeakPolarHBondContact O-CD 3.4Å; G593-R642 PolarHBondContact O-NH1 3.49Å; S638-R642 WeakPolarHBondContact O-CD 3.32Å; S638-R642 VanDerWaalsContact O-CG 3.31Å; S638-R642 WeakPolarHBondContact O-CG 3.49Å; A640-R642 PolarHBondContact O-N 3.37Å; A640-R642 VanDerWaalsContact O-N 3.16Å; R642-G646 PolarHBondContact O-N 3.36Å; R642-G646 VanDerWaalsContact O-N 3.08Å; R642-F685 HydrophobicContact CG-CD2 4.38Å; R642-F685 HydrophobicContact CG-CE2 3.98Å
643	M	98.7	Very high	96.6	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.02	11%	0.108	C	C	.	.	H	α-helix	trans	-68.4	-37.1	171.3	-77.3	-59.3	-43.1	0	0	111.5	D528 Q530 M531 R573 K574 T639 A640 S647	D528-M643 HydrophobicContact CB-CE 3.65Å; D528-M643 VanDerWaalsContact OD2-CE 3.23Å; D528-M643 WeakPolarHBondContact OD2-CE 3.46Å; Q530-M643 HydrophobicContact CB-CG 4.07Å; Q530-M643 PolarHBondContact NE2-SD 3.12Å; Q530-M643 VanDerWaalsContact NE2-SD 3.41Å; M531-M643 HydrophobicContact CG-CB 3.79Å; M531-M643 HydrophobicContact SD-CB 4.32Å; R573-M643 VanDerWaalsContact C-SD 3.56Å; K574-M643 HydrophobicContact CB-SD 4.34Å; K574-M643 HydrophobicContact CD-SD 4.22Å; K574-M643 HydrophobicContact CG-CG 3.91Å; K574-M643 HydrophobicContact CG-SD 3.29Å; K574-M643 WeakPolarHBondContact CG-SD 3.32Å; T639-M643 WeakPolarHBondContact O-CB 3.42Å; T639-M643 VanDerWaalsContact O-CG 3.32Å; T639-M643 WeakPolarHBondContact O-CG 3.41Å; T639-M643 PolarHBondContact O-N 2.84Å; A640-M643 CarbonylContact O-C 3.55Å; A640-M643 WeakPolarHBondContact O-CA 3.49Å; A640-M643 WeakPolarHBondContact O-CB 3.46Å; A640-M643 PolarHBondContact O-N 2.76Å; M643-S647 WeakPolarHBondContact O-CB 3.47Å; M643-S647 PolarHBondContact O-N 2.92Å; M643-S647 PolarHBondContact O-OG 3.41Å
644	A	98.8	Very high	96.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-63.3	175	0	0	0	0	0	110.8	M531 A640 G646 S647 V648 V667	M531-A644 HydrophobicContact SD-CB 4Å; A640-A644 PolarHBondContact O-N 3.43Å; A644-G646 VanDerWaalsContact C-N 3.33Å; A644-G646 PolarHBondContact O-N 2.95Å; A644-S647 WeakPolarHBondContact O-CB 3.34Å; A644-S647 PolarHBondContact O-N 3.26Å; A644-V648 PolarHBondContact O-N 3.44Å; A644-V667 HydrophobicContact CB-CB 3.96Å; A644-V667 HydrophobicContact CB-CG1 4.47Å
645	A	98.8	Very high	97.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-55.9	-45	-179.9	0	0	0	0	0	112.7	A575 L580 S641 S647 V648 V649 S687 I690	A575-A645 HydrophobicContact CB-CB 4.1Å; L580-A645 HydrophobicContact CD2-CB 4.28Å; S641-A645 PolarHBondContact O-N 3.38Å; A645-S647 VanDerWaalsContact C-N 3.29Å; A645-S647 PolarHBondContact O-N 3.47Å; A645-V648 PolarHBondContact O-N 3.11Å; A645-V649 VanDerWaalsContact O-CG2 3.25Å; A645-V649 WeakPolarHBondContact O-CG2 3.23Å; A645-V649 PolarHBondContact O-N 3.17Å; A645-S687 WeakPolarHBondContact CA-OG 3.16Å; A645-S687 PolarHBondContact N-OG 3.37Å; A645-I690 HydrophobicContact CB-CD1 4.07Å
646	G	98.8	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.4	-20.8	179.1	0	0	0	0	0	114.6	R573 R642 A644 E650	R573-G646 WeakPolarHBondContact CG-O 3.44Å; R573-G646 CarbonylContact O-C 3.53Å; R573-G646 VanDerWaalsContact O-C 3.26Å; R573-G646 VanDerWaalsContact O-CA 3.24Å; R573-G646 WeakPolarHBondContact O-CA 3.21Å; R642-G646 PolarHBondContact O-N 3.36Å; R642-G646 VanDerWaalsContact O-N 3.08Å; A644-G646 VanDerWaalsContact C-N 3.33Å; A644-G646 PolarHBondContact O-N 2.95Å; G646-E650 VanDerWaalsContact O-CB 3.31Å; G646-E650 WeakPolarHBondContact O-CB 3.33Å; G646-E650 PolarHBondContact O-N 3.11Å
647	S	98.9	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-78.6	-41.9	172.6	-64.2	0	0	0	0	111.8	G572 M643 A644 A645 E650 L651	G572-S647 WeakPolarHBondContact CA-OG 3.33Å; M643-S647 WeakPolarHBondContact O-CB 3.47Å; M643-S647 PolarHBondContact O-N 2.92Å; M643-S647 PolarHBondContact O-OG 3.41Å; A644-S647 WeakPolarHBondContact O-CB 3.34Å; A644-S647 PolarHBondContact O-N 3.26Å; A645-S647 VanDerWaalsContact C-N 3.29Å; A645-S647 PolarHBondContact O-N 3.47Å; S647-E650 PolarHBondContact O-N 2.98Å; S647-L651 PolarHBondContact O-N 3.09Å
648	V	98.9	Very high	98.2	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-46.2	174.2	-176.9	0	0	0	0	110.3	A644 A645 E650 L651 S652 A665 V667 A691 A841	A644-V648 PolarHBondContact O-N 3.44Å; A645-V648 PolarHBondContact O-N 3.11Å; V648-E650 PolarHBondContact O-N 3.38Å; V648-L651 PolarHBondContact O-N 2.82Å; V648-S652 WeakPolarHBondContact O-CB 3.23Å; V648-S652 PolarHBondContact O-N 3.2Å; V648-S652 PolarHBondContact O-OG 3.31Å; V648-S652 VanDerWaalsContact O-OG 3.13Å; V648-A665 HydrophobicContact CG2-CB 3.99Å; V648-V667 HydrophobicContact CG2-CG1 4.26Å; V648-V667 HydrophobicContact CG2-CG2 4.06Å; V648-A691 HydrophobicContact CG1-CB 3.9Å; V648-A841 HydrophobicContact CG1-CB 4.08Å; V648-A841 HydrophobicContact CG2-CB 3.77Å
649	V	98.9	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.4	-46.2	174.8	175.2	0	0	0	0	111.7	A645 L651 S652 F653 I690 A691 Q694	A645-V649 VanDerWaalsContact O-CG2 3.25Å; A645-V649 WeakPolarHBondContact O-CG2 3.23Å; A645-V649 PolarHBondContact O-N 3.17Å; V649-L651 PolarHBondContact O-N 3.16Å; V649-S652 PolarHBondContact O-N 2.79Å; V649-F653 HydrophobicContact CG1-CD2 3.92Å; V649-F653 HydrophobicContact CG1-CE2 3.88Å; V649-F653 VanDerWaalsContact O-CD2 3.23Å; V649-F653 WeakPolarHBondContact O-CD2 3.4Å; V649-F653 PolarHBondContact O-N 2.91Å; V649-I690 HydrophobicContact CG2-CG2 3.81Å; V649-A691 HydrophobicContact CG2-CB 4.24Å; V649-Q694 HydrophobicContact CG1-CB 4.41Å; V649-Q694 HydrophobicContact CG1-CG 4.5Å
650	E	98.8	Very high	98.4	Very high	37 Å²	37	22 Å²	22	17%	0.173	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-41.9	179.6	-175.7	65.9	-156.9	0	0	112.4	I570 R573 G646 S647 V648 R654	I570-E650 HydrophobicContact CG2-CG 4Å; R573-E650 WeakPolarHBondContact CD-OE2 3.4Å; R573-E650 HydrophobicContact CG-CB 4.41Å; R573-E650 IonicContact CZ-OE2 3.76Å; R573-E650 IonicContact NE-OE2 3.19Å; R573-E650 PolarHBondContact NE-OE2 2.89Å; G646-E650 VanDerWaalsContact O-CB 3.31Å; G646-E650 WeakPolarHBondContact O-CB 3.33Å; G646-E650 PolarHBondContact O-N 3.11Å; S647-E650 PolarHBondContact O-N 2.98Å; V648-E650 PolarHBondContact O-N 3.38Å; E650-R654 WeakPolarHBondContact O-CG 3.44Å; E650-R654 PolarHBondContact O-N 3.1Å; E650-R654 IonicContact OE1-CZ 3.38Å; E650-R654 VanDerWaalsContact OE1-CZ 3.26Å; E650-R654 IonicContact OE1-NE 3.54Å; E650-R654 PolarHBondContact OE1-NE 2.74Å; E650-R654 IonicContact OE1-NH2 3.97Å; E650-R654 PolarHBondContact OE1-NH2 2.92Å
651	L	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.4	-47.9	177.6	-176.8	62.2	0	0	0	111.6	V526 I570 S647 V648 V649 F653 R654 V655 L660 A665 I839	V526-L651 HydrophobicContact CG1-CB 4.14Å; V526-L651 HydrophobicContact CG1-CD2 4.03Å; I570-L651 HydrophobicContact CG1-CD1 4.12Å; S647-L651 PolarHBondContact O-N 3.09Å; V648-L651 PolarHBondContact O-N 2.82Å; V649-L651 PolarHBondContact O-N 3.16Å; L651-F653 VanDerWaalsContact C-N 3.32Å; L651-F653 PolarHBondContact O-N 2.91Å; L651-R654 PolarHBondContact O-N 3.16Å; L651-R654 VanDerWaalsContact O-N 3.14Å; L651-V655 PolarHBondContact O-N 2.98Å; L651-L660 HydrophobicContact CD1-CD1 3.79Å; L651-A665 HydrophobicContact CD2-CB 4.06Å; L651-I839 HydrophobicContact CD2-CG2 3.7Å; L651-I839 HydrophobicContact CG-CG2 3.94Å
652	S	98.8	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-38.2	179.4	-65.8	0	0	0	0	112.8	V648 V649 R654 A656	V648-S652 WeakPolarHBondContact O-CB 3.23Å; V648-S652 PolarHBondContact O-N 3.2Å; V648-S652 PolarHBondContact O-OG 3.31Å; V648-S652 VanDerWaalsContact O-OG 3.13Å; V649-S652 PolarHBondContact O-N 2.79Å; S652-R654 PolarHBondContact O-N 2.8Å; S652-A656 WeakPolarHBondContact O-CB 3.39Å; S652-A656 PolarHBondContact O-N 2.83Å
653	F	98.6	Very high	98.5	Very high	33 Å²	33	22.1 Å²	22.1	15%	0.145	11%	0.112	C	C	.	.	H	α-helix	trans	-65.4	-38.3	175.6	-90.5	-119.3	0	0	0	112.6	V649 L651 K657 Q694 L695 K698 L699	V649-F653 HydrophobicContact CG1-CD2 3.92Å; V649-F653 HydrophobicContact CG1-CE2 3.88Å; V649-F653 VanDerWaalsContact O-CD2 3.23Å; V649-F653 WeakPolarHBondContact O-CD2 3.4Å; V649-F653 PolarHBondContact O-N 2.91Å; L651-F653 VanDerWaalsContact C-N 3.32Å; L651-F653 PolarHBondContact O-N 2.91Å; F653-K657 WeakPolarHBondContact O-CB 3.4Å; F653-K657 WeakPolarHBondContact O-CD 3.14Å; F653-K657 WeakPolarHBondContact O-CG 3.36Å; F653-K657 PolarHBondContact O-N 2.9Å; F653-K657 VanDerWaalsContact O-N 3.14Å; F653-Q694 HydrophobicContact CE2-CB 3.66Å; F653-Q694 HydrophobicContact CZ-CB 3.92Å; F653-Q694 WeakPolarHBondContact CZ-O 3.4Å; F653-L695 HydrophobicContact CD2-CD2 4Å; F653-L695 HydrophobicContact CE2-CD2 4.09Å; F653-K698 HydrophobicContact CE1-CB 3.85Å; F653-K698 HydrophobicContact CE1-CG 4.4Å; F653-K698 HydrophobicContact CZ-CB 3.74Å; F653-K698 HydrophobicContact CZ-CG 3.98Å; F653-L699 HydrophobicContact CD1-CD1 4.04Å; F653-L699 HydrophobicContact CD1-CG 4.31Å; F653-L699 HydrophobicContact CE1-CD1 4.24Å; F653-L699 HydrophobicContact CE1-CG 4.06Å; F653-L699 HydrophobicContact CG-CD1 4.35Å
654	R	98.6	Very high	98.5	Very high	71 Å²	71	21.9 Å²	21.9	27%	0.268	11%	0.111	S	C	.	.	H	α-helix	trans	-69.9	-41.6	179.5	-69.6	174.7	-176.6	-114.3	-1	111.8	E650 L651 S652 G658 E659 L660	E650-R654 WeakPolarHBondContact O-CG 3.44Å; E650-R654 PolarHBondContact O-N 3.1Å; E650-R654 IonicContact OE1-CZ 3.38Å; E650-R654 VanDerWaalsContact OE1-CZ 3.26Å; E650-R654 IonicContact OE1-NE 3.54Å; E650-R654 PolarHBondContact OE1-NE 2.74Å; E650-R654 IonicContact OE1-NH2 3.97Å; E650-R654 PolarHBondContact OE1-NH2 2.92Å; L651-R654 PolarHBondContact O-N 3.16Å; L651-R654 VanDerWaalsContact O-N 3.14Å; S652-R654 PolarHBondContact O-N 2.8Å; R654-G658 PolarHBondContact O-N 3.34Å; R654-E659 HydrophobicContact CB-CB 4.11Å; R654-E659 WeakPolarHBondContact O-CA 3.36Å; R654-E659 WeakPolarHBondContact O-CB 3.37Å; R654-E659 PolarHBondContact O-N 2.66Å; R654-L660 HydrophobicContact CB-CD1 3.58Å; R654-L660 HydrophobicContact CB-CG 4.01Å; R654-L660 HydrophobicContact CG-CD1 4.49Å; R654-L660 PolarHBondContact O-N 3.43Å
655	V	98.7	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.8	-44.6	175.1	174.9	0	0	0	0	111.3	L651 K657 G658 L660 R837 I839	L651-V655 PolarHBondContact O-N 2.98Å; V655-K657 VanDerWaalsContact C-N 3.29Å; V655-K657 PolarHBondContact O-N 2.71Å; V655-G658 PolarHBondContact O-N 2.92Å; V655-L660 HydrophobicContact CG2-CB 3.86Å; V655-L660 HydrophobicContact CG2-CD1 4.35Å; V655-R837 HydrophobicContact CG1-CB 3.97Å; V655-R837 HydrophobicContact CG1-CG 4.28Å; V655-I839 HydrophobicContact CB-CD1 3.86Å; V655-I839 HydrophobicContact CB-CG1 3.81Å; V655-I839 HydrophobicContact CG1-CD1 3.72Å; V655-I839 HydrophobicContact CG1-CG1 3.94Å; V655-I839 HydrophobicContact CG2-CD1 4.48Å; V655-I839 HydrophobicContact CG2-CG1 3.88Å
656	A	98.3	Very high	98.5	Very high	24 Å²	24	21.9 Å²	21.9	20%	0.198	11%	0.11	C	C	.	.	H	α-helix	trans	-61.7	-33.7	179.2	0	0	0	0	0	113.4	S652 L695 L699 V796	S652-A656 WeakPolarHBondContact O-CB 3.39Å; S652-A656 PolarHBondContact O-N 2.83Å; A656-L695 HydrophobicContact CB-CD2 3.58Å; A656-L699 HydrophobicContact CB-CD1 3.91Å; A656-V796 HydrophobicContact CB-CG2 4.18Å
657	K	97.5	Very high	98.5	Very high	117 Å²	117	22 Å²	22	51%	0.509	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-8.3	174.5	-68.2	167.9	178.5	173.6	0	114.8	F653 V655 E659 L699	F653-K657 WeakPolarHBondContact O-CB 3.4Å; F653-K657 WeakPolarHBondContact O-CD 3.14Å; F653-K657 WeakPolarHBondContact O-CG 3.36Å; F653-K657 PolarHBondContact O-N 2.9Å; F653-K657 VanDerWaalsContact O-N 3.14Å; V655-K657 VanDerWaalsContact C-N 3.29Å; V655-K657 PolarHBondContact O-N 2.71Å; K657-E659 VanDerWaalsContact C-N 3.32Å; K657-E659 HydrophobicContact CB-CG 4.11Å; K657-E659 HydrophobicContact CD-CG 4.31Å; K657-E659 WeakPolarHBondContact CD-OE1 3.42Å; K657-E659 IonicContact NZ-OE1 2.84Å; K657-E659 PolarHBondContact NZ-OE1 2.9Å; K657-L699 HydrophobicContact CG-CD1 4.24Å
658	G	96.6	Very high	98.5	Very high	37 Å²	37	22 Å²	22	38%	0.381	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	18.9	-171.3	0	0	0	0	0	114.9	F521 R654 V655 L660	F521-G658 WeakPolarHBondContact CD2-O 3.47Å; F521-G658 WeakPolarHBondContact CE2-O 3.47Å; R654-G658 PolarHBondContact O-N 3.34Å; V655-G658 PolarHBondContact O-N 2.92Å; G658-L660 PolarHBondContact O-N 3.46Å
659	E	97.5	Very high	98.5	Very high	76 Å²	76	22 Å²	22	36%	0.355	11%	0.111	S	C	.	.	S	Bend	trans	-67.9	-23.2	166.3	-59.8	178.8	-148.4	0	0	111	R654 K657	R654-E659 HydrophobicContact CB-CB 4.11Å; R654-E659 WeakPolarHBondContact O-CA 3.36Å; R654-E659 WeakPolarHBondContact O-CB 3.37Å; R654-E659 PolarHBondContact O-N 2.66Å; K657-E659 VanDerWaalsContact C-N 3.32Å; K657-E659 HydrophobicContact CB-CG 4.11Å; K657-E659 HydrophobicContact CD-CG 4.31Å; K657-E659 WeakPolarHBondContact CD-OE1 3.42Å; K657-E659 IonicContact NZ-OE1 2.84Å; K657-E659 PolarHBondContact NZ-OE1 2.9Å
660	L	98.3	Very high	98.4	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-136.7	157.9	176	-64.8	169.7	0	0	0	109.8	F521 E568 I570 L651 R654 V655 G658	F521-L660 VanDerWaalsContact CE2-C 3.47Å; F521-L660 WeakPolarHBondContact CE2-O 3.29Å; E568-L660 HydrophobicContact CB-CD2 3.84Å; E568-L660 HydrophobicContact CG-CD2 4.1Å; I570-L660 HydrophobicContact CD1-CD1 3.78Å; I570-L660 HydrophobicContact CD1-CD2 4.22Å; I570-L660 HydrophobicContact CG1-CD1 3.93Å; L651-L660 HydrophobicContact CD1-CD1 3.79Å; R654-L660 HydrophobicContact CB-CD1 3.58Å; R654-L660 HydrophobicContact CB-CG 4.01Å; R654-L660 HydrophobicContact CG-CD1 4.49Å; R654-L660 PolarHBondContact O-N 3.43Å; V655-L660 HydrophobicContact CG2-CB 3.86Å; V655-L660 HydrophobicContact CG2-CD1 4.35Å; G658-L660 PolarHBondContact O-N 3.46Å
661	K	98	Very high	98.4	Very high	58 Å²	58	20.5 Å²	20.5	25%	0.252	11%	0.105	S	C	.	.	S	Bend	trans	-72.1	-52.8	175.7	177.8	-166	172.2	-164	0	111.4	F521 T522 L862	F521-K661 HydrophobicContact CD1-CB 4.24Å; F521-K661 HydrophobicContact CE1-CB 3.9Å; F521-K661 HydrophobicContact CE1-CG 4.21Å; F521-K661 HydrophobicContact CE2-CB 4.37Å; F521-K661 HydrophobicContact CZ-CB 3.97Å; F521-K661 HydrophobicContact CZ-CG 4.44Å; T522-K661 PolarHBondContact O-N 2.89Å; K661-L862 PolarHBondContact NZ-O 2.94Å
662	N	98.8	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-178	-172.1	56.7	10.9	0	0	0	108.9	T523 G524 L838 L862	T523-N662 CarbonylContact C-O 3.51Å; T523-N662 WeakPolarHBondContact CA-O 3.43Å; T523-N662 VanDerWaalsContact CA-OD1 3.23Å; T523-N662 WeakPolarHBondContact CA-OD1 3.4Å; T523-N662 WeakPolarHBondContact CB-OD1 3.27Å; T523-N662 PolarHBondContact OG1-OD1 2.81Å; G524-N662 PolarHBondContact N-O 3.02Å; N662-L838 CarbonylContact C-O 3.54Å; N662-L838 VanDerWaalsContact CA-O 3.23Å; N662-L838 WeakPolarHBondContact CA-O 3.11Å; N662-L838 HydrophobicContact CB-CB 4.41Å; N662-L838 VanDerWaalsContact CB-O 3.26Å; N662-L838 WeakPolarHBondContact CB-O 3.09Å; N662-L862 HydrophobicContact CB-CD2 3.94Å; N662-L862 WeakPolarHBondContact ND2-CA 3.39Å; N662-L862 WeakPolarHBondContact ND2-CD2 3.49Å; N662-L862 PolarHBondContact ND2-O 3.12Å
663	G	98.8	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	170.7	175.3	0	0	0	0	0	117.5	G524 L838 I839 L840	G524-G663 CarbonylContact O-C 3.59Å; G524-G663 WeakPolarHBondContact O-CA 3.49Å; G663-L838 PolarHBondContact N-O 3.27Å; G663-I839 WeakPolarHBondContact O-CA 3.26Å; G663-L840 PolarHBondContact O-N 3.02Å
664	F	98.9	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.4	174.9	-171.9	-82.1	0	0	0	111.1	G524 L525 V526 V666 F803 L840 L842 V859 L862	G524-F664 PolarHBondContact O-N 2.85Å; L525-F664 WeakPolarHBondContact CA-O 3.39Å; L525-F664 HydrophobicContact CD2-CB 3.82Å; V526-F664 PolarHBondContact N-O 3.38Å; F664-V666 HydrophobicContact CD1-CG2 3.7Å; F664-V666 HydrophobicContact CE1-CB 4.46Å; F664-V666 HydrophobicContact CE1-CG2 3.81Å; F664-F803 HydrophobicContact CE2-CE2 4.16Å; F664-F803 HydrophobicContact CE2-CZ 4.09Å; F664-F803 AromaticContact CZ-CE2 4Å; F664-F803 HydrophobicContact CZ-CE2 4Å; F664-F803 HydrophobicContact CZ-CZ 4.39Å; F664-L840 CarbonylContact C-O 3.3Å; F664-L840 WeakPolarHBondContact CA-O 3.23Å; F664-L840 HydrophobicContact CD2-CB 3.45Å; F664-L840 VanDerWaalsContact CD2-CB 3.45Å; F664-L840 HydrophobicContact CD2-CD2 3.73Å; F664-L840 HydrophobicContact CD2-CG 4.25Å; F664-L840 HydrophobicContact CE2-CB 3.94Å; F664-L840 HydrophobicContact CE2-CD2 4.07Å; F664-L840 HydrophobicContact CG-CB 4.29Å; F664-L842 HydrophobicContact CE1-CB 4.48Å; F664-L842 HydrophobicContact CZ-CB 4.28Å; F664-L842 HydrophobicContact CZ-CD1 4.43Å; F664-V859 HydrophobicContact CB-CG2 3.91Å; F664-V859 HydrophobicContact CD2-CG2 4.46Å; F664-V859 HydrophobicContact CG-CG2 4.06Å; F664-L862 HydrophobicContact CB-CD1 4.01Å
665	A	98.9	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.9	178.4	0	0	0	0	0	111.6	V526 V648 L651 V667 L840 A841 L842	V526-A665 HydrophobicContact CG1-CB 3.45Å; V526-A665 VanDerWaalsContact CG1-CB 3.45Å; V648-A665 HydrophobicContact CG2-CB 3.99Å; L651-A665 HydrophobicContact CD2-CB 4.06Å; A665-V667 VanDerWaalsContact C-N 3.33Å; A665-V667 HydrophobicContact CB-CG1 4.01Å; A665-V667 HydrophobicContact CB-CG2 4.42Å; A665-V667 PolarHBondContact O-N 3.26Å; A665-V667 VanDerWaalsContact O-N 3.1Å; A665-L840 PolarHBondContact N-O 3.05Å; A665-A841 HydrophobicContact CB-CB 4.28Å; A665-L842 PolarHBondContact O-N 3.49Å
666	V	98.9	Very high	98.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.			trans	-86.4	74.5	179.5	-165.2	0	0	0	0	108.8	V526 Y527 M531 I551 I554 W555 L558 F664	V526-V666 PolarHBondContact O-N 3.36Å; Y527-V666 HydrophobicContact CD2-CB 4.15Å; Y527-V666 HydrophobicContact CD2-CG1 4.11Å; M531-V666 WeakPolarHBondContact CE-O 3.39Å; I551-V666 HydrophobicContact CB-CG1 3.86Å; I551-V666 HydrophobicContact CG2-CG1 3.99Å; I554-V666 HydrophobicContact CB-CG1 4.01Å; I554-V666 HydrophobicContact CG2-CG1 3.73Å; I554-V666 HydrophobicContact CG2-CG2 4.2Å; W555-V666 HydrophobicContact CE3-CG2 4.14Å; W555-V666 HydrophobicContact CZ3-CG2 4.49Å; L558-V666 HydrophobicContact CD1-CG2 4.24Å; F664-V666 HydrophobicContact CD1-CG2 3.7Å; F664-V666 HydrophobicContact CE1-CB 4.46Å; F664-V666 HydrophobicContact CE1-CG2 3.81Å
667	V	98.9	Very high	97.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.012	11%	0.113	C	C	.	.			trans	-114.1	156.8	-168.8	-66.7	0	0	0	0	113.6	M531 I551 A644 V648 A665	M531-V667 HydrophobicContact CE-CB 4.36Å; M531-V667 HydrophobicContact CE-CG1 4.08Å; M531-V667 HydrophobicContact SD-CB 3.89Å; M531-V667 HydrophobicContact SD-CG1 3.95Å; I551-V667 WeakPolarHBondContact CG2-O 3.38Å; A644-V667 HydrophobicContact CB-CB 3.96Å; A644-V667 HydrophobicContact CB-CG1 4.47Å; V648-V667 HydrophobicContact CG2-CG1 4.26Å; V648-V667 HydrophobicContact CG2-CG2 4.06Å; A665-V667 VanDerWaalsContact C-N 3.33Å; A665-V667 HydrophobicContact CB-CG1 4.01Å; A665-V667 HydrophobicContact CB-CG2 4.42Å; A665-V667 PolarHBondContact O-N 3.26Å; A665-V667 VanDerWaalsContact O-N 3.1Å
668	R	98.5	Very high	97.7	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	11%	0.109	C	C	.	.			trans	-161	159.1	165.2	68.3	176.7	-73	-91.9	4.9	111.7	M531 H534 E546 I551	M531-R668 HydrophobicContact CB-CG 4.12Å; M531-R668 WeakPolarHBondContact CB-O 3.31Å; M531-R668 WeakPolarHBondContact CG-O 3.09Å; M531-R668 PolarHBondContact O-NH1 3.31Å; H534-R668 PolarHBondContact CD2-NH2 3.16Å; H534-R668 VanDerWaalsContact CD2-NH2 3.34Å; H534-R668 VanDerWaalsContact O-CZ 3.28Å; H534-R668 PolarHBondContact O-NH1 3.21Å; H534-R668 PolarHBondContact O-NH2 3.43Å; E546-R668 VanDerWaalsContact CD-NE 3.29Å; E546-R668 PolarHBondContact O-NH2 2.92Å; E546-R668 IonicContact OE1-CZ 3.44Å; E546-R668 IonicContact OE1-NE 2.75Å; E546-R668 PolarHBondContact OE1-NE 2.83Å; E546-R668 IonicContact OE1-NH2 2.78Å; E546-R668 IonicContact OE2-CZ 2.75Å; E546-R668 IonicContact OE2-NE 2.72Å; E546-R668 PolarHBondContact OE2-NE 2.96Å; E546-R668 IonicContact OE2-NH2 3.22Å; E546-R668 PolarHBondContact OE2-NH2 3.29Å; I551-R668 HydrophobicContact CD1-CG 3.71Å; I551-R668 HydrophobicContact CG1-CG 3.96Å; I551-R668 HydrophobicContact CG2-CB 4.09Å; I551-R668 HydrophobicContact CG2-CG 4Å
669	P	98.4	Very high	97.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.013	10%	0.096	C	C	.	.	S	Bend	cis	-60.8	165.1	-7.6	25.6	-34	0	0	0	112.8	S641 F682 Y684	S641-P669 VanDerWaalsContact OG-CG 3.27Å; S641-P669 WeakPolarHBondContact OG-CG 3.39Å; P669-F682 WeakPolarHBondContact CB-O 3.07Å; P669-Y684 HydrophobicContact CG-CD2 4.17Å
670	P	98.6	Very high	97.6	Very high	6 Å²	6	16.1 Å²	16.1	4%	0.039	9%	0.09	C	C	.	.			trans	-61.1	174.4	170.1	28.7	-36.3	0	0	0	112.1	E546 F682 C683 E843	E546-P670 HydrophobicContact CG-CG 4.39Å; P670-F682 HydrophobicContact CG-CB 3.88Å; P670-C683 VanDerWaalsContact C-SG 3.52Å; P670-C683 WeakPolarHBondContact O-CA 3.4Å; P670-E843 HydrophobicContact CB-CB 4.4Å; P670-E843 VanDerWaalsContact CB-OE2 3.28Å; P670-E843 WeakPolarHBondContact CB-OE2 3.44Å
671	G	98.6	Very high	97.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.09	C	C	.	.			trans	-135.7	-27	-176.1	0	0	0	0	0	116.6	H673 A674 C683 F685 N686 E843	G671-H673 VanDerWaalsContact C-N 3.27Å; G671-H673 PolarHBondContact O-N 3.15Å; G671-H673 VanDerWaalsContact O-N 3.11Å; G671-A674 WeakPolarHBondContact O-CB 3.36Å; G671-A674 PolarHBondContact O-N 3.35Å; G671-C683 VanDerWaalsContact C-SG 3.58Å; G671-C683 PolarHBondContact N-SG 3.49Å; G671-C683 VanDerWaalsContact N-SG 3.44Å; G671-F685 WeakPolarHBondContact CA-O 3.21Å; G671-N686 VanDerWaalsContact O-CA 3.28Å; G671-N686 WeakPolarHBondContact O-CA 3.45Å; G671-N686 WeakPolarHBondContact O-CB 3.42Å; G671-E843 PolarHBondContact N-OE2 3.15Å
672	H	98.8	Very high	97.4	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.014	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	-165.4	74.6	145.2	0	0	0	115.7	D708 D710 H712 G714 G716 T717 E843	H672-D708 IonicContact CG-OD2 3.48Å; H672-D708 IonicContact ND1-OD1 3.67Å; H672-D708 PolarHBondContact ND1-OD1 2.58Å; H672-D708 IonicContact ND1-OD2 2.72Å; H672-D708 PolarHBondContact ND1-OD2 2.77Å; H672-D710 VanDerWaalsContact CE1-CB 3.45Å; H672-D710 WeakPolarHBondContact CE1-CB 3.49Å; H672-D710 IonicContact CE1-OD1 2.61Å; H672-D710 IonicContact CE1-OD2 3.61Å; H672-D710 IonicContact NE2-OD1 2.83Å; H672-D710 IonicContact NE2-OD2 2.65Å; H672-H712 PolarHBondContact CE1-O 3.09Å; H672-G714 WeakPolarHBondContact ND1-CA 3.43Å; H672-G714 CarbonylContact O-C 3.52Å; H672-G714 VanDerWaalsContact O-C 3.3Å; H672-G716 CarbonylContact O-C 3.53Å; H672-G716 VanDerWaalsContact O-CA 3.28Å; H672-G716 WeakPolarHBondContact O-CA 3.41Å; H672-G716 PolarHBondContact O-N 3.21Å; H672-T717 PolarHBondContact O-N 2.86Å; H672-E843 HydrophobicContact CB-CG 4.35Å; H672-E843 IonicContact CD2-OE2 2.72Å; H672-E843 PolarHBondContact CD2-OE2 3.14Å; H672-E843 IonicContact CG-OE2 3.69Å; H672-E843 PolarHBondContact N-OE2 3.37Å
673	H	98.6	Very high	97.4	Very high	6 Å²	6	15.2 Å²	15.2	3%	0.028	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.8	173	-63.7	-55.8	0	0	0	115.2	G671 D675 M680 C683 H712 H713 N715 F741	G671-H673 VanDerWaalsContact C-N 3.27Å; G671-H673 PolarHBondContact O-N 3.15Å; G671-H673 VanDerWaalsContact O-N 3.11Å; H673-D675 PolarHBondContact O-N 3.24Å; H673-M680 HydrophobicContact CB-CG 4.16Å; H673-M680 WeakPolarHBondContact O-CG 3.4Å; H673-C683 HydrophobicContact CB-CB 3.95Å; H673-C683 PolarHBondContact N-SG 3.04Å; H673-H712 VanDerWaalsContact CE1-CB 3.45Å; H673-H712 WeakPolarHBondContact CE1-CB 3.33Å; H673-H713 PolarHBondContact CE1-O 2.91Å; H673-H713 PolarHBondContact ND1-O 3.47Å; H673-H713 VanDerWaalsContact ND1-O 3.1Å; H673-N715 WeakPolarHBondContact CA-OD1 3.37Å; H673-N715 PolarHBondContact ND1-OD1 3.16Å; H673-N715 PolarHBondContact O-ND2 2.97Å; H673-N715 VanDerWaalsContact O-ND2 3.15Å; H673-F741 AromaticContact CD2-CE1 3.92Å; H673-F741 AromaticContact CE1-CE1 3.82Å; H673-F741 AromaticContact NE2-CE1 3.55Å
674	A	98.2	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.			trans	-77.2	110.8	-175.3	0	0	0	0	0	111.5	H584 G671 C683	H584-A674 PolarHBondContact CE1-O 2.79Å; G671-A674 WeakPolarHBondContact O-CB 3.36Å; G671-A674 PolarHBondContact O-N 3.35Å; A674-C683 HydrophobicContact CB-CB 3.84Å
675	D	94.1	Very high	97.4	Very high	27 Å²	27	15.4 Å²	15.4	14%	0.144	9%	0.087	C	C	.	.			trans	-77.4	173.2	176.7	84.4	49.8	0	0	0	111.9	H584 H673 S677 N678	H584-D675 PolarHBondContact CE1-O 3.08Å; H584-D675 PolarHBondContact ND1-O 3.39Å; H673-D675 PolarHBondContact O-N 3.24Å; D675-S677 PolarHBondContact O-N 3.37Å; D675-S677 WeakPolarHBondContact OD1-CA 3.39Å; D675-S677 PolarHBondContact OD1-N 3Å; D675-S677 PolarHBondContact OD1-OG 3.35Å; D675-N678 PolarHBondContact N-O 3.15Å; D675-N678 PolarHBondContact OD1-N 2.98Å; D675-N678 PolarHBondContact OD1-ND2 3.28Å; D675-N678 WeakPolarHBondContact OD2-CB 3.47Å; D675-N678 PolarHBondContact OD2-ND2 3.13Å
676	P	97	Very high	97.4	Very high	34 Å²	34	15.4 Å²	15.4	22%	0.221	9%	0.087	C	C	.	.	S	Bend	trans	-55.4	-14.1	179.8	-28.7	37.4	0	0	0	116	V583 H584 T585 E719 V720	V583-P676 WeakPolarHBondContact O-CB 3.38Å; H584-P676 CarbonylContact C-O 3.59Å; H584-P676 WeakPolarHBondContact CA-O 3.46Å; T585-P676 WeakPolarHBondContact CG2-O 3.15Å; T585-P676 PolarHBondContact N-O 2.99Å; T585-P676 PolarHBondContact OG1-O 3.06Å; T585-P676 VanDerWaalsContact OG1-O 3.07Å; P676-E719 HydrophobicContact CG-CG 4.2Å; P676-V720 HydrophobicContact CG-CG2 4.03Å
677	S	94.6	Very high	97.4	Very high	54 Å²	54	15.5 Å²	15.5	38%	0.378	9%	0.088	S	C	.	.	S	Bend	trans	-132.4	-30.4	-172.3	63.3	0	0	0	0	114.9	H588 D675	H588-S677 PolarHBondContact ND1-O 2.79Å; D675-S677 PolarHBondContact O-N 3.37Å; D675-S677 WeakPolarHBondContact OD1-CA 3.39Å; D675-S677 PolarHBondContact OD1-N 3Å; D675-S677 PolarHBondContact OD1-OG 3.35Å
678	N	93.5	Very high	97.4	Very high	79 Å²	79	15.5 Å²	15.5	42%	0.422	9%	0.088	S	C	.	.			trans	-120.9	136	-172.9	-46.5	-64.1	0	0	0	113.3	D675	D675-N678 PolarHBondContact N-O 3.15Å; D675-N678 PolarHBondContact OD1-N 2.98Å; D675-N678 PolarHBondContact OD1-ND2 3.28Å; D675-N678 WeakPolarHBondContact OD2-CB 3.47Å; D675-N678 PolarHBondContact OD2-ND2 3.13Å
679	P	95.6	Very high	97.4	Very high	16 Å²	16	15.4 Å²	15.4	10%	0.104	9%	0.088	C	C	.	.			trans	-81	147.9	158.5	35.9	-33.5	0	0	0	110.4	Y592 V626 C683 Y684	Y592-P679 HydrophobicContact CD2-CG 4.45Å; Y592-P679 HydrophobicContact CE1-CG 4.25Å; Y592-P679 HydrophobicContact CE2-CG 3.73Å; V626-P679 HydrophobicContact CB-CG 4.18Å; V626-P679 HydrophobicContact CG1-CG 4.22Å; V626-P679 HydrophobicContact CG2-CB 4.23Å; V626-P679 HydrophobicContact CG2-CG 3.81Å; P679-C683 VanDerWaalsContact CA-O 3.26Å; P679-C683 WeakPolarHBondContact CA-O 3.44Å; P679-C683 WeakPolarHBondContact CB-O 3.31Å; P679-Y684 HydrophobicContact CB-CD1 3.78Å; P679-Y684 HydrophobicContact CB-CE1 3.97Å; P679-Y684 HydrophobicContact CB-CG 4.48Å; P679-Y684 HydrophobicContact CG-CD1 4.42Å; P679-Y684 HydrophobicContact CG-CE1 4.28Å
680	M	96	Very high	97.4	Very high	47 Å²	47	15.3 Å²	15.3	23%	0.232	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-169.1	161.7	174.3	54.5	174.8	-76.6	0	0	109.7	H673 F682 C683 F741 P742	H673-M680 HydrophobicContact CB-CG 4.16Å; H673-M680 WeakPolarHBondContact O-CG 3.4Å; M680-F682 PolarHBondContact O-N 3.32Å; M680-C683 PolarHBondContact N-O 2.97Å; M680-C683 VanDerWaalsContact O-CB 3.29Å; M680-C683 WeakPolarHBondContact O-CB 3.45Å; M680-C683 PolarHBondContact O-N 3.26Å; M680-F741 HydrophobicContact CE-CE2 4.07Å; M680-F741 HydrophobicContact CE-CZ 3.67Å; M680-P742 HydrophobicContact CE-CB 3.79Å
681	G	95.4	Very high	97.4	Very high	3 Å²	3	15 Å²	15	3%	0.031	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	47.3	172.8	0	0	0	0	0	112.3	D629 T630 C683	D629-G681 WeakPolarHBondContact OD2-CA 3.48Å; D629-G681 PolarHBondContact OD2-N 3.5Å; T630-G681 PolarHBondContact OG1-N 2.9Å; G681-C683 PolarHBondContact O-N 3.29Å; G681-C683 PolarHBondContact O-SG 3.41Å
682	F	97.1	Very high	97.5	Very high	40 Å²	40	15 Å²	15	18%	0.175	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-9.7	-170.4	-36	-69	0	0	0	116	E546 D629 T630 P669 P670 M680 H846	E546-F682 HydrophobicContact CB-CB 4Å; E546-F682 HydrophobicContact CB-CD1 3.71Å; E546-F682 HydrophobicContact CB-CD2 4.12Å; E546-F682 HydrophobicContact CB-CE1 4.22Å; E546-F682 HydrophobicContact CB-CG 3.66Å; E546-F682 HydrophobicContact CG-CB 3.92Å; E546-F682 HydrophobicContact CG-CD2 4.42Å; E546-F682 HydrophobicContact CG-CG 4.06Å; D629-F682 HydrophobicContact CB-CD1 4.38Å; D629-F682 HydrophobicContact CB-CE1 3.86Å; D629-F682 HydrophobicContact CB-CZ 4.44Å; D629-F682 WeakPolarHBondContact O-CD1 3.46Å; T630-F682 WeakPolarHBondContact OG1-CA 3.23Å; T630-F682 PolarHBondContact OG1-N 2.89Å; P669-F682 WeakPolarHBondContact CB-O 3.07Å; P670-F682 HydrophobicContact CG-CB 3.88Å; M680-F682 PolarHBondContact O-N 3.32Å; F682-H846 AromaticContact CE2-CE1 3.98Å; F682-H846 AromaticContact CE2-NE2 3.97Å
683	C	98.4	Very high	97.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-85.7	137.9	-170.3	-62.5	0	0	0	0	112.9	P670 G671 H673 A674 P679 M680 G681	P670-C683 VanDerWaalsContact C-SG 3.52Å; P670-C683 WeakPolarHBondContact O-CA 3.4Å; G671-C683 VanDerWaalsContact C-SG 3.58Å; G671-C683 PolarHBondContact N-SG 3.49Å; G671-C683 VanDerWaalsContact N-SG 3.44Å; H673-C683 HydrophobicContact CB-CB 3.95Å; H673-C683 PolarHBondContact N-SG 3.04Å; A674-C683 HydrophobicContact CB-CB 3.84Å; P679-C683 VanDerWaalsContact CA-O 3.26Å; P679-C683 WeakPolarHBondContact CA-O 3.44Å; P679-C683 WeakPolarHBondContact CB-O 3.31Å; M680-C683 PolarHBondContact N-O 2.97Å; M680-C683 VanDerWaalsContact O-CB 3.29Å; M680-C683 WeakPolarHBondContact O-CB 3.45Å; M680-C683 PolarHBondContact O-N 3.26Å; G681-C683 PolarHBondContact O-N 3.29Å; G681-C683 PolarHBondContact O-SG 3.41Å
684	Y	98.3	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-121.4	-30.8	178.8	-84.4	-74	0	0	0	115.1	H588 Y592 V626 T630 I631 W632 T637 S641 P669 P679	H588-Y684 PolarHBondContact NE2-O 3.47Å; Y592-Y684 AromaticContact CD1-CD1 3.95Å; Y592-Y684 HydrophobicContact CD1-CD1 3.95Å; Y592-Y684 AromaticContact CD1-CE1 3.77Å; Y592-Y684 HydrophobicContact CD1-CE1 3.77Å; Y592-Y684 HydrophobicContact CE1-CE1 4.1Å; Y592-Y684 AromaticContact CG-CD1 3.99Å; Y592-Y684 HydrophobicContact CG-CD1 3.99Å; Y592-Y684 HydrophobicContact CG-CE1 4.29Å; V626-Y684 HydrophobicContact CG1-CE1 4.08Å; V626-Y684 HydrophobicContact CG2-CE1 4.32Å; T630-Y684 HydrophobicContact CG2-CD2 4.09Å; T630-Y684 HydrophobicContact CG2-CE1 4.23Å; T630-Y684 HydrophobicContact CG2-CE2 3.43Å; T630-Y684 VanDerWaalsContact CG2-CE2 3.43Å; T630-Y684 PolarHBondContact O-OH 2.86Å; I631-Y684 PolarHBondContact O-OH 3.3Å; I631-Y684 VanDerWaalsContact O-OH 3.05Å; W632-Y684 AromaticContact CE3-CE1 3.71Å; W632-Y684 HydrophobicContact CE3-CE1 3.71Å; W632-Y684 AromaticContact CE3-CZ 3.73Å; W632-Y684 HydrophobicContact CZ3-CD1 4.43Å; W632-Y684 HydrophobicContact CZ3-CE1 4.02Å; T637-Y684 HydrophobicContact CG2-CD1 4.45Å; T637-Y684 HydrophobicContact CG2-CD2 3.62Å; T637-Y684 HydrophobicContact CG2-CE1 4.34Å; T637-Y684 HydrophobicContact CG2-CE2 3.44Å; T637-Y684 VanDerWaalsContact CG2-CE2 3.44Å; T637-Y684 HydrophobicContact CG2-CG 4.12Å; S641-Y684 WeakPolarHBondContact OG-CB 3.33Å; P669-Y684 HydrophobicContact CG-CD2 4.17Å; P679-Y684 HydrophobicContact CB-CD1 3.78Å; P679-Y684 HydrophobicContact CB-CE1 3.97Å; P679-Y684 HydrophobicContact CB-CG 4.48Å; P679-Y684 HydrophobicContact CG-CD1 4.42Å; P679-Y684 HydrophobicContact CG-CE1 4.28Å
685	F	98.8	Very high	97.5	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.013	9%	0.09	C	C	.	.	S	Bend	trans	-150.2	129.7	177.1	-71.7	-58.6	0	0	0	107.7	L580 H584 H588 V589 R642 G671 S687 I690	L580-F685 HydrophobicContact CB-CE1 4.36Å; L580-F685 HydrophobicContact CD1-CE1 4.2Å; L580-F685 HydrophobicContact CD1-CE2 4.13Å; L580-F685 HydrophobicContact CD1-CZ 3.89Å; L580-F685 HydrophobicContact CD2-CB 4.21Å; L580-F685 HydrophobicContact CD2-CD1 3.88Å; L580-F685 HydrophobicContact CD2-CD2 3.93Å; L580-F685 HydrophobicContact CD2-CE1 4.16Å; L580-F685 HydrophobicContact CD2-CE2 4.25Å; L580-F685 HydrophobicContact CD2-CG 3.75Å; L580-F685 HydrophobicContact CD2-CZ 4.36Å; L580-F685 HydrophobicContact CG-CE1 4.46Å; H584-F685 AromaticContact CD2-CD1 3.65Å; H584-F685 AromaticContact NE2-CD1 3.91Å; H588-F685 AromaticContact CD2-CE1 3.63Å; H588-F685 AromaticContact NE2-CD1 3.84Å; H588-F685 AromaticContact NE2-CE1 3.73Å; V589-F685 HydrophobicContact CG2-CE1 4.2Å; R642-F685 HydrophobicContact CG-CD2 4.38Å; R642-F685 HydrophobicContact CG-CE2 3.98Å; G671-F685 WeakPolarHBondContact CA-O 3.21Å; F685-S687 PolarHBondContact O-N 3.38Å; F685-I690 HydrophobicContact CB-CD1 4.02Å
686	N	98.9	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.			trans	-76.3	89.7	-176	-170.3	-30.7	0	0	0	110.6	H584 G671 V688 A689 I690 G716 T717	H584-N686 PolarHBondContact CE1-N 3.2Å; H584-N686 PolarHBondContact NE2-N 3.01Å; G671-N686 VanDerWaalsContact O-CA 3.28Å; G671-N686 WeakPolarHBondContact O-CA 3.45Å; G671-N686 WeakPolarHBondContact O-CB 3.42Å; N686-V688 VanDerWaalsContact C-N 3.28Å; N686-V688 PolarHBondContact O-N 2.74Å; N686-V688 PolarHBondContact OD1-N 3.47Å; N686-A689 HydrophobicContact CB-CB 3.89Å; N686-A689 PolarHBondContact O-N 2.88Å; N686-A689 VanDerWaalsContact OD1-CB 3.32Å; N686-A689 WeakPolarHBondContact OD1-CB 3.37Å; N686-A689 PolarHBondContact OD1-N 3.4Å; N686-I690 WeakPolarHBondContact O-CB 3.39Å; N686-I690 WeakPolarHBondContact O-CD1 3.35Å; N686-I690 WeakPolarHBondContact O-CG1 3.37Å; N686-I690 PolarHBondContact O-N 3.48Å; N686-G716 VanDerWaalsContact ND2-C 3.34Å; N686-T717 WeakPolarHBondContact ND2-CA 3.49Å; N686-T717 PolarHBondContact ND2-N 2.9Å; N686-T717 VanDerWaalsContact ND2-N 3.17Å; N686-T717 PolarHBondContact ND2-OG1 3.48Å
687	S	98.9	Very high	97.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-37.5	-173	-63.1	0	0	0	0	112.9	A645 F685 A691	A645-S687 WeakPolarHBondContact CA-OG 3.16Å; A645-S687 PolarHBondContact N-OG 3.37Å; F685-S687 PolarHBondContact O-N 3.38Å; S687-A691 WeakPolarHBondContact O-CB 3.22Å; S687-A691 PolarHBondContact O-N 3.27Å; S687-A691 VanDerWaalsContact O-N 3.14Å
688	V	98.9	Very high	97.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-74.3	-47.1	178.6	177.1	0	0	0	0	111.1	N686 I690 A691 A692 I706 L798 A841	N686-V688 VanDerWaalsContact C-N 3.28Å; N686-V688 PolarHBondContact O-N 2.74Å; N686-V688 PolarHBondContact OD1-N 3.47Å; V688-I690 VanDerWaalsContact C-N 3.34Å; V688-I690 PolarHBondContact O-N 2.9Å; V688-A691 WeakPolarHBondContact O-CB 3.45Å; V688-A691 PolarHBondContact O-N 2.83Å; V688-A691 VanDerWaalsContact O-N 3.16Å; V688-A692 PolarHBondContact O-N 3.36Å; V688-I706 HydrophobicContact CG1-CD1 4.31Å; V688-I706 HydrophobicContact CG1-CG1 4.44Å; V688-I706 HydrophobicContact CG1-CG2 3.81Å; V688-L798 HydrophobicContact CG1-CB 3.91Å; V688-L798 HydrophobicContact CG1-CD1 4Å; V688-A841 HydrophobicContact CG2-CB 3.9Å
689	A	98.9	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.7	-38.5	177.3	0	0	0	0	0	112.5	V583 N686 A691 A692 K693 V720 F721	V583-A689 HydrophobicContact CG1-CB 4.45Å; V583-A689 HydrophobicContact CG2-CB 4.06Å; N686-A689 HydrophobicContact CB-CB 3.89Å; N686-A689 PolarHBondContact O-N 2.88Å; N686-A689 VanDerWaalsContact OD1-CB 3.32Å; N686-A689 WeakPolarHBondContact OD1-CB 3.37Å; N686-A689 PolarHBondContact OD1-N 3.4Å; A689-A691 VanDerWaalsContact C-N 3.34Å; A689-A692 PolarHBondContact O-N 3.31Å; A689-K693 WeakPolarHBondContact O-CB 3.46Å; A689-K693 WeakPolarHBondContact O-CG 3.16Å; A689-K693 PolarHBondContact O-N 3.28Å; A689-V720 HydrophobicContact CB-CB 4.47Å; A689-V720 HydrophobicContact CB-CG1 4.09Å; A689-F721 HydrophobicContact CB-CE2 3.6Å; A689-F721 HydrophobicContact CB-CZ 4.01Å
690	I	98.9	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-43.1	174	-69.3	161.6	0	0	0	109.9	E579 L580 V583 A645 V649 F685 N686 V688 K693 Q694	E579-I690 HydrophobicContact CB-CG2 4.45Å; E579-I690 WeakPolarHBondContact O-CG2 3.48Å; L580-I690 HydrophobicContact CD2-CD1 3.87Å; V583-I690 HydrophobicContact CB-CG1 3.85Å; V583-I690 HydrophobicContact CG2-CB 4.31Å; V583-I690 HydrophobicContact CG2-CG1 3.61Å; A645-I690 HydrophobicContact CB-CD1 4.07Å; V649-I690 HydrophobicContact CG2-CG2 3.81Å; F685-I690 HydrophobicContact CB-CD1 4.02Å; N686-I690 WeakPolarHBondContact O-CB 3.39Å; N686-I690 WeakPolarHBondContact O-CD1 3.35Å; N686-I690 WeakPolarHBondContact O-CG1 3.37Å; N686-I690 PolarHBondContact O-N 3.48Å; V688-I690 VanDerWaalsContact C-N 3.34Å; V688-I690 PolarHBondContact O-N 2.9Å; I690-K693 PolarHBondContact O-N 2.9Å; I690-Q694 HydrophobicContact CG2-CG 4.41Å; I690-Q694 WeakPolarHBondContact O-CB 3.23Å; I690-Q694 VanDerWaalsContact O-CG 3.3Å; I690-Q694 WeakPolarHBondContact O-CG 3.22Å; I690-Q694 PolarHBondContact O-N 3.09Å
691	A	98.9	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-45.6	175.3	0	0	0	0	0	112	V648 V649 S687 V688 A689 Q694 L695 L798	V648-A691 HydrophobicContact CG1-CB 3.9Å; V649-A691 HydrophobicContact CG2-CB 4.24Å; S687-A691 WeakPolarHBondContact O-CB 3.22Å; S687-A691 PolarHBondContact O-N 3.27Å; S687-A691 VanDerWaalsContact O-N 3.14Å; V688-A691 WeakPolarHBondContact O-CB 3.45Å; V688-A691 PolarHBondContact O-N 2.83Å; V688-A691 VanDerWaalsContact O-N 3.16Å; A689-A691 VanDerWaalsContact C-N 3.34Å; A691-Q694 PolarHBondContact O-N 2.69Å; A691-L695 VanDerWaalsContact O-CG 3.32Å; A691-L695 WeakPolarHBondContact O-CG 3.4Å; A691-L695 PolarHBondContact O-N 3Å; A691-L798 HydrophobicContact CB-CD1 4.35Å
692	A	98.9	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.1	-49.3	175.6	0	0	0	0	0	112.6	V688 A689 Q694 L695 Q696 I704 I706 F721 L798	V688-A692 PolarHBondContact O-N 3.36Å; A689-A692 PolarHBondContact O-N 3.31Å; A692-Q694 VanDerWaalsContact C-N 3.31Å; A692-Q694 PolarHBondContact O-N 3.48Å; A692-L695 WeakPolarHBondContact O-CB 3.34Å; A692-L695 PolarHBondContact O-N 3.24Å; A692-L695 VanDerWaalsContact O-N 3.13Å; A692-Q696 WeakPolarHBondContact O-CG 3.42Å; A692-Q696 PolarHBondContact O-N 3.18Å; A692-I704 HydrophobicContact CB-CD1 3.97Å; A692-I704 HydrophobicContact CB-CG2 4.31Å; A692-I704 WeakPolarHBondContact O-CD1 3.37Å; A692-I706 HydrophobicContact CB-CD1 4.11Å; A692-F721 HydrophobicContact CB-CE1 4.2Å; A692-F721 HydrophobicContact CB-CE2 4.43Å; A692-F721 HydrophobicContact CB-CZ 3.65Å; A692-L798 HydrophobicContact CB-CD1 3.85Å
693	K	98.8	Very high	98.3	Very high	30 Å²	30	29 Å²	29	13%	0.13	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-36.9	176.7	-71.2	-79.9	165.4	-131.9	0	112.1	V583 A689 I690 Q697 V720 F721 D724	V583-K693 HydrophobicContact CG2-CB 4.31Å; V583-K693 HydrophobicContact CG2-CG 3.87Å; A689-K693 WeakPolarHBondContact O-CB 3.46Å; A689-K693 WeakPolarHBondContact O-CG 3.16Å; A689-K693 PolarHBondContact O-N 3.28Å; I690-K693 PolarHBondContact O-N 2.9Å; K693-Q697 VanDerWaalsContact O-CB 3.25Å; K693-Q697 WeakPolarHBondContact O-CB 3.38Å; K693-Q697 WeakPolarHBondContact O-CG 3.43Å; K693-Q697 PolarHBondContact O-N 3.15Å; K693-V720 HydrophobicContact CG-CG1 4.47Å; K693-F721 HydrophobicContact CD-CE1 4.12Å; K693-F721 HydrophobicContact CG-CE1 4.06Å; K693-F721 HydrophobicContact CG-CZ 4.06Å; K693-F721 VanDerWaalsContact NZ-CE1 3.27Å; K693-D724 IonicContact NZ-OD2 3.38Å; K693-D724 PolarHBondContact NZ-OD2 3.41Å
694	Q	98.8	Very high	98.4	Very high	3 Å²	3	29 Å²	29	1%	0.014	16%	0.156	C	C	.	.	H	α-helix	trans	-71.4	-33.9	174.2	-68.9	-50.8	-66.3	0	0	113.3	E579 S582 V649 F653 I690 A691 A692 Q697 K698	E579-Q694 HydrophobicContact CB-CG 4.37Å; E579-Q694 HydrophobicContact CG-CG 4.11Å; S582-Q694 PolarHBondContact OG-NE2 3.12Å; V649-Q694 HydrophobicContact CG1-CB 4.41Å; V649-Q694 HydrophobicContact CG1-CG 4.5Å; F653-Q694 HydrophobicContact CE2-CB 3.66Å; F653-Q694 HydrophobicContact CZ-CB 3.92Å; F653-Q694 WeakPolarHBondContact CZ-O 3.4Å; I690-Q694 HydrophobicContact CG2-CG 4.41Å; I690-Q694 WeakPolarHBondContact O-CB 3.23Å; I690-Q694 VanDerWaalsContact O-CG 3.3Å; I690-Q694 WeakPolarHBondContact O-CG 3.22Å; I690-Q694 PolarHBondContact O-N 3.09Å; A691-Q694 PolarHBondContact O-N 2.69Å; A692-Q694 VanDerWaalsContact C-N 3.31Å; A692-Q694 PolarHBondContact O-N 3.48Å; Q694-Q697 PolarHBondContact O-N 3.27Å; Q694-K698 WeakPolarHBondContact O-CB 3.44Å; Q694-K698 WeakPolarHBondContact O-CG 3.41Å; Q694-K698 PolarHBondContact O-N 3.38Å
695	L	98.8	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-46	171.9	-72.3	177.6	0	0	0	111.6	F653 A656 A691 A692 L699 S700 V701 I704 V796 L798	F653-L695 HydrophobicContact CD2-CD2 4Å; F653-L695 HydrophobicContact CE2-CD2 4.09Å; A656-L695 HydrophobicContact CB-CD2 3.58Å; A691-L695 VanDerWaalsContact O-CG 3.32Å; A691-L695 WeakPolarHBondContact O-CG 3.4Å; A691-L695 PolarHBondContact O-N 3Å; A692-L695 WeakPolarHBondContact O-CB 3.34Å; A692-L695 PolarHBondContact O-N 3.24Å; A692-L695 VanDerWaalsContact O-N 3.13Å; L695-L699 HydrophobicContact CD2-CD1 3.82Å; L695-L699 CarbonylContact O-C 3.51Å; L695-L699 PolarHBondContact O-N 3.48Å; L695-L699 VanDerWaalsContact O-N 3.13Å; L695-S700 PolarHBondContact O-N 3.04Å; L695-V701 HydrophobicContact CB-CB 4.27Å; L695-V701 HydrophobicContact CB-CG2 3.96Å; L695-V701 HydrophobicContact CD2-CG2 4.43Å; L695-V701 PolarHBondContact O-N 3.3Å; L695-I704 HydrophobicContact CB-CD1 3.83Å; L695-I704 HydrophobicContact CD1-CD1 4.29Å; L695-V796 HydrophobicContact CD1-CB 4.49Å; L695-V796 HydrophobicContact CD1-CG1 4.03Å; L695-L798 HydrophobicContact CD1-CD2 4.46Å
696	Q	98.6	Very high	98.4	Very high	35 Å²	35	28.8 Å²	28.8	16%	0.164	16%	0.155	C	C	.	.	H	α-helix	trans	-56.3	-51.9	171.9	-69	176.1	-57.9	0	0	110.9	A692 S700 I704 D724 S726	A692-Q696 WeakPolarHBondContact O-CG 3.42Å; A692-Q696 PolarHBondContact O-N 3.18Å; Q696-S700 WeakPolarHBondContact O-CA 3.39Å; Q696-S700 PolarHBondContact O-N 3.05Å; Q696-I704 HydrophobicContact CG-CD1 3.98Å; Q696-D724 PolarHBondContact NE2-OD2 2.9Å; Q696-S726 PolarHBondContact NE2-OG 2.9Å
697	Q	97.9	Very high	98.4	Very high	100 Å²	100	28.8 Å²	28.8	47%	0.467	16%	0.155	S	C	.	.	H	α-helix	trans	-76.8	-30.6	-170.2	-72.3	172.4	6.1	0	0	115.5	K693 Q694	K693-Q697 VanDerWaalsContact O-CB 3.25Å; K693-Q697 WeakPolarHBondContact O-CB 3.38Å; K693-Q697 WeakPolarHBondContact O-CG 3.43Å; K693-Q697 PolarHBondContact O-N 3.15Å; Q694-Q697 PolarHBondContact O-N 3.27Å
698	K	98	Very high	98.4	Very high	99 Å²	99	28.7 Å²	28.7	43%	0.43	15%	0.154	S	C	.	.	H	α-helix	trans	-113.8	-20.6	-170.8	-47.4	-62.2	-175.9	-177.5	0	113.9	E578 F653 Q694	E578-K698 IonicContact OE1-NZ 3.88Å; E578-K698 PolarHBondContact OE1-NZ 3.21Å; F653-K698 HydrophobicContact CE1-CB 3.85Å; F653-K698 HydrophobicContact CE1-CG 4.4Å; F653-K698 HydrophobicContact CZ-CB 3.74Å; F653-K698 HydrophobicContact CZ-CG 3.98Å; Q694-K698 WeakPolarHBondContact O-CB 3.44Å; Q694-K698 WeakPolarHBondContact O-CG 3.41Å; Q694-K698 PolarHBondContact O-N 3.38Å
699	L	97.2	Very high	98.4	Very high	64 Å²	64	28.6 Å²	28.6	34%	0.335	15%	0.154	S	C	.	.	H	α-helix	trans	-121.7	-0.2	178.2	-63.4	-177.7	0	0	0	113.2	F653 A656 K657 L695 V701	F653-L699 HydrophobicContact CD1-CD1 4.04Å; F653-L699 HydrophobicContact CD1-CG 4.31Å; F653-L699 HydrophobicContact CE1-CD1 4.24Å; F653-L699 HydrophobicContact CE1-CG 4.06Å; F653-L699 HydrophobicContact CG-CD1 4.35Å; A656-L699 HydrophobicContact CB-CD1 3.91Å; K657-L699 HydrophobicContact CG-CD1 4.24Å; L695-L699 HydrophobicContact CD2-CD1 3.82Å; L695-L699 CarbonylContact O-C 3.51Å; L695-L699 PolarHBondContact O-N 3.48Å; L695-L699 VanDerWaalsContact O-N 3.13Å; L699-V701 HydrophobicContact CB-CG2 4.04Å; L699-V701 PolarHBondContact O-N 2.93Å
700	S	96.4	Very high	98.4	Very high	102 Å²	102	28.6 Å²	28.6	71%	0.713	15%	0.154	S	C	*	.			trans	55	35.3	179.7	-54.9	0	0	0	0	114	L695 Q696 S702	L695-S700 PolarHBondContact O-N 3.04Å; Q696-S700 WeakPolarHBondContact O-CA 3.39Å; Q696-S700 PolarHBondContact O-N 3.05Å; S700-S702 PolarHBondContact O-N 2.96Å
701	V	97.4	Very high	98.4	Very high	23 Å²	23	28.6 Å²	28.6	14%	0.139	15%	0.154	C	C	.	.			trans	-64.5	120.4	177.7	-177.8	0	0	0	0	109.4	L695 L699 I704 D795 V796	L695-V701 HydrophobicContact CB-CB 4.27Å; L695-V701 HydrophobicContact CB-CG2 3.96Å; L695-V701 HydrophobicContact CD2-CG2 4.43Å; L695-V701 PolarHBondContact O-N 3.3Å; L699-V701 HydrophobicContact CB-CG2 4.04Å; L699-V701 PolarHBondContact O-N 2.93Å; V701-I704 HydrophobicContact CB-CD1 4.41Å; V701-I704 HydrophobicContact CB-CG1 4.34Å; V701-I704 HydrophobicContact CG1-CD1 4.28Å; V701-I704 HydrophobicContact CG1-CG1 3.72Å; V701-D795 HydrophobicContact CG1-CB 3.71Å; V701-V796 HydrophobicContact CG1-CB 4.42Å; V701-V796 HydrophobicContact CG1-CG2 3.98Å
702	S	96.8	Very high	98.4	Very high	77 Å²	77	29.3 Å²	29.3	54%	0.538	16%	0.157	S	C	.	.	S	Bend	trans	-82.2	-30.6	-168	28.4	0	0	0	0	115.1	S700 S726 D795	S700-S702 PolarHBondContact O-N 2.96Å; S702-S726 WeakPolarHBondContact O-CB 3.44Å; S702-D795 WeakPolarHBondContact CB-OD2 3.14Å; S702-D795 PolarHBondContact N-OD2 3.41Å; S702-D795 PolarHBondContact OG-OD2 3.29Å
703	K	98.8	Very high	98.4	Very high	68 Å²	68	29.3 Å²	29.3	30%	0.296	16%	0.157	S	C	.	.			trans	-141.2	114.5	179	-69.2	-174.5	-63.4	171.5	0	110.9	S726 F792 S793 D795	K703-S726 WeakPolarHBondContact CA-O 3.28Å; K703-F792 HydrophobicContact CB-CE1 3.89Å; K703-F792 HydrophobicContact CB-CE2 4.27Å; K703-F792 HydrophobicContact CB-CZ 3.66Å; K703-F792 HydrophobicContact CD-CD2 4.39Å; K703-F792 HydrophobicContact CD-CE2 4.12Å; K703-F792 HydrophobicContact CD-CZ 4.34Å; K703-F792 WeakPolarHBondContact CD-O 3.24Å; K703-F792 WeakPolarHBondContact CE-O 3.25Å; K703-F792 HydrophobicContact CG-CE2 4.12Å; K703-F792 HydrophobicContact CG-CZ 3.99Å; K703-F792 PolarHBondContact NZ-O 3.4Å; K703-S793 WeakPolarHBondContact CE-O 3.3Å; K703-S793 PolarHBondContact NZ-O 2.97Å; K703-D795 PolarHBondContact N-OD2 3.44Å; K703-D795 WeakPolarHBondContact O-CB 3.41Å; K703-D795 PolarHBondContact O-N 2.98Å
704	I	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.6	176.5	-54.5	179	0	0	0	108.5	A692 L695 Q696 V701 I706 S726 V727 L728 F792 L798	A692-I704 HydrophobicContact CB-CD1 3.97Å; A692-I704 HydrophobicContact CB-CG2 4.31Å; A692-I704 WeakPolarHBondContact O-CD1 3.37Å; L695-I704 HydrophobicContact CB-CD1 3.83Å; L695-I704 HydrophobicContact CD1-CD1 4.29Å; Q696-I704 HydrophobicContact CG-CD1 3.98Å; V701-I704 HydrophobicContact CB-CD1 4.41Å; V701-I704 HydrophobicContact CB-CG1 4.34Å; V701-I704 HydrophobicContact CG1-CD1 4.28Å; V701-I704 HydrophobicContact CG1-CG1 3.72Å; I704-I706 HydrophobicContact CG2-CG1 4.29Å; I704-S726 PolarHBondContact N-O 3.26Å; I704-V727 HydrophobicContact CB-CG1 4.38Å; I704-V727 HydrophobicContact CB-CG2 4.21Å; I704-V727 CarbonylContact O-C 3.51Å; I704-V727 VanDerWaalsContact O-CA 3.3Å; I704-V727 WeakPolarHBondContact O-CA 3.3Å; I704-L728 PolarHBondContact O-N 2.93Å; I704-F792 WeakPolarHBondContact O-CE1 3.44Å; I704-L798 HydrophobicContact CG2-CD1 4.16Å; I704-L798 HydrophobicContact CG2-CG 4.14Å
705	L	98.9	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.1	166.2	170.1	64.8	0	0	0	108.4	V707 L728 I730 A789 F792 P794 V796 V797 L798 L833	L705-V707 HydrophobicContact CD1-CG2 4Å; L705-V707 HydrophobicContact CD2-CG2 3.9Å; L705-V707 HydrophobicContact CG-CG2 3.85Å; L705-L728 HydrophobicContact CD1-CB 4.26Å; L705-L728 HydrophobicContact CD1-CD2 3.81Å; L705-L728 HydrophobicContact CD1-CG 3.78Å; L705-I730 HydrophobicContact CD1-CD1 3.9Å; L705-I730 HydrophobicContact CD1-CG1 3.98Å; L705-A789 HydrophobicContact CD2-CB 3.66Å; L705-F792 HydrophobicContact CB-CE1 4.45Å; L705-P794 HydrophobicContact CB-CB 3.7Å; L705-P794 HydrophobicContact CB-CG 3.8Å; L705-P794 HydrophobicContact CD2-CG 4.18Å; L705-V796 PolarHBondContact N-O 3.18Å; L705-V797 HydrophobicContact CB-CG1 4.37Å; L705-V797 HydrophobicContact CB-CG2 4.27Å; L705-V797 HydrophobicContact CD2-CG1 3.95Å; L705-V797 HydrophobicContact CD2-CG2 4.09Å; L705-V797 HydrophobicContact CG-CG1 4.11Å; L705-V797 WeakPolarHBondContact O-CA 3.42Å; L705-L798 PolarHBondContact O-N 3.09Å; L705-L833 HydrophobicContact CD2-CD1 3.75Å
706	I	99	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.8	166.2	-55.1	175.5	0	0	0	107.5	V688 A692 I704 T717 F721 V727 L728 Y729 I730 L798	V688-I706 HydrophobicContact CG1-CD1 4.31Å; V688-I706 HydrophobicContact CG1-CG1 4.44Å; V688-I706 HydrophobicContact CG1-CG2 3.81Å; A692-I706 HydrophobicContact CB-CD1 4.11Å; I704-I706 HydrophobicContact CG2-CG1 4.29Å; I706-T717 HydrophobicContact CD1-CG2 3.97Å; I706-T717 HydrophobicContact CG2-CG2 4.17Å; I706-F721 HydrophobicContact CD1-CD2 3.99Å; I706-F721 HydrophobicContact CD1-CE2 3.63Å; I706-F721 HydrophobicContact CD1-CZ 4.22Å; I706-V727 HydrophobicContact CD1-CG1 3.62Å; I706-V727 HydrophobicContact CG1-CG1 3.91Å; I706-L728 PolarHBondContact N-O 3.19Å; I706-Y729 HydrophobicContact CB-CD2 4.09Å; I706-Y729 HydrophobicContact CG2-CD2 3.91Å; I706-Y729 HydrophobicContact CG2-CE2 4.2Å; I706-I730 PolarHBondContact O-N 2.86Å; I706-L798 WeakPolarHBondContact CA-O 3.47Å; I706-L798 HydrophobicContact CG1-CB 4.37Å
707	V	99	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.4	169.3	-176.5	0	0	0	0	108.8	L705 I730 L732 F781 V785 L798 V799 S800 L830	L705-V707 HydrophobicContact CD1-CG2 4Å; L705-V707 HydrophobicContact CD2-CG2 3.9Å; L705-V707 HydrophobicContact CG-CG2 3.85Å; V707-I730 CarbonylContact C-O 3.45Å; V707-I730 WeakPolarHBondContact CA-O 3.33Å; V707-L732 HydrophobicContact CG1-CD1 3.99Å; V707-F781 HydrophobicContact CG1-CZ 4.21Å; V707-V785 HydrophobicContact CG1-CG1 4.48Å; V707-V785 HydrophobicContact CG2-CG1 4.29Å; V707-L798 PolarHBondContact N-O 3.29Å; V707-V799 CarbonylContact O-C 3.58Å; V707-V799 VanDerWaalsContact O-CA 3.23Å; V707-V799 WeakPolarHBondContact O-CA 3.43Å; V707-S800 PolarHBondContact O-N 3.43Å; V707-L830 HydrophobicContact CB-CD1 4.14Å; V707-L830 HydrophobicContact CG1-CD1 4.36Å; V707-L830 HydrophobicContact CG2-CD1 4.05Å; V707-L830 HydrophobicContact CG2-CD2 3.93Å
708	D	98.9	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.5	179.3	-156.4	-22.4	0	0	0	108.6	H672 G714 Y729 I730 S731 L732 S800	H672-D708 IonicContact CG-OD2 3.48Å; H672-D708 IonicContact ND1-OD1 3.67Å; H672-D708 PolarHBondContact ND1-OD1 2.58Å; H672-D708 IonicContact ND1-OD2 2.72Å; H672-D708 PolarHBondContact ND1-OD2 2.77Å; D708-G714 WeakPolarHBondContact OD2-CA 3.41Å; D708-Y729 HydrophobicContact CB-CE2 3.64Å; D708-Y729 WeakPolarHBondContact CB-OH 3.28Å; D708-Y729 VanDerWaalsContact CG-OH 3.32Å; D708-Y729 PolarHBondContact OD2-OH 3.13Å; D708-I730 PolarHBondContact N-O 3.49Å; D708-S731 CarbonylContact O-C 3.54Å; D708-S731 WeakPolarHBondContact O-CA 3.18Å; D708-L732 PolarHBondContact O-N 2.76Å; D708-S800 WeakPolarHBondContact OD1-CB 3.36Å
709	W	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.			trans	-110.5	8	-178.1	70.5	40.1	0	0	0	113.2	F781 V799 S800 A801 G802 F803 F823 L826 T827 L830 L840	W709-F781 HydrophobicContact CE3-CZ 4.36Å; W709-V799 HydrophobicContact CD2-CG1 3.82Å; W709-V799 HydrophobicContact CE3-CG1 3.81Å; W709-V799 HydrophobicContact CH2-CG1 3.99Å; W709-V799 HydrophobicContact CZ2-CG1 4.02Å; W709-V799 HydrophobicContact CZ3-CG1 3.9Å; W709-S800 PolarHBondContact N-O 3.25Å; W709-A801 HydrophobicContact CZ2-CB 4.1Å; W709-G802 PolarHBondContact NE1-O 2.96Å; W709-F803 HydrophobicContact CZ2-CE1 4.17Å; W709-F803 AromaticContact NE1-CE1 3.74Å; W709-F823 AromaticContact CD1-CD1 3.91Å; W709-F823 AromaticContact CD1-CE1 3.63Å; W709-F823 HydrophobicContact CD2-CD1 4.12Å; W709-F823 HydrophobicContact CD2-CE1 4.45Å; W709-F823 AromaticContact CE2-CD1 3.69Å; W709-F823 HydrophobicContact CG-CD1 4.27Å; W709-F823 HydrophobicContact CG-CE1 4.12Å; W709-F823 HydrophobicContact CZ2-CD1 4.13Å; W709-F823 AromaticContact NE1-CD1 3.52Å; W709-F823 AromaticContact NE1-CE1 3.67Å; W709-L826 HydrophobicContact CE3-CB 4.07Å; W709-L826 HydrophobicContact CE3-CD1 4.19Å; W709-L826 HydrophobicContact CH2-CB 4.46Å; W709-L826 HydrophobicContact CZ3-CB 3.71Å; W709-T827 WeakPolarHBondContact CH2-OG1 3.49Å; W709-L830 HydrophobicContact CZ3-CD1 4.06Å; W709-L840 HydrophobicContact CH2-CD2 4.07Å; W709-L840 HydrophobicContact CH2-CG 4.45Å; W709-L840 HydrophobicContact CZ2-CD2 4.08Å
710	D	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-55.3	146.4	164.1	-163.4	-73	0	0	0	109.5	H672 H712 G802 G844	H672-D710 VanDerWaalsContact CE1-CB 3.45Å; H672-D710 WeakPolarHBondContact CE1-CB 3.49Å; H672-D710 IonicContact CE1-OD1 2.61Å; H672-D710 IonicContact CE1-OD2 3.61Å; H672-D710 IonicContact NE2-OD1 2.83Å; H672-D710 IonicContact NE2-OD2 2.65Å; D710-H712 PolarHBondContact O-N 3.14Å; D710-H712 IonicContact OD1-CE1 3.85Å; D710-H712 IonicContact OD1-CG 3.15Å; D710-H712 PolarHBondContact OD1-N 2.89Å; D710-H712 IonicContact OD1-ND1 2.67Å; D710-H712 PolarHBondContact OD1-ND1 2.78Å; D710-G802 VanDerWaalsContact OD2-CA 3.22Å; D710-G802 WeakPolarHBondContact OD2-CA 3.4Å; D710-G844 WeakPolarHBondContact OD2-CA 3.39Å; D710-G844 PolarHBondContact OD2-N 2.8Å
711	V	98.8	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-70.5	-15.3	-177.8	80.8	0	0	0	0	112.2	H733 R734 F740 D804 A805 Y816	V711-H733 WeakPolarHBondContact O-CA 3.44Å; V711-H733 WeakPolarHBondContact O-CB 3.44Å; V711-R734 HydrophobicContact CG2-CB 3.91Å; V711-R734 PolarHBondContact O-N 2.78Å; V711-F740 HydrophobicContact CG1-CE1 4.16Å; V711-F740 HydrophobicContact CG1-CZ 4.3Å; V711-D804 HydrophobicContact CB-CB 4.38Å; V711-D804 HydrophobicContact CG1-CB 3.68Å; V711-D804 WeakPolarHBondContact CG1-OD1 3.27Å; V711-D804 PolarHBondContact N-OD1 3.17Å; V711-A805 HydrophobicContact CB-CB 3.96Å; V711-A805 HydrophobicContact CG2-CB 4.05Å; V711-Y816 HydrophobicContact CG2-CD2 3.72Å; V711-Y816 HydrophobicContact CG2-CE2 3.99Å; V711-Y816 HydrophobicContact CG2-CG 4.31Å
712	H	98.9	Very high	98.7	Very high	14 Å²	14	19.3 Å²	19.3	7%	0.065	10%	0.098	C	C	.	.	S	Bend	trans	-100.6	144.6	176.6	-44.2	89.7	0	0	0	110.9	H672 H673 D710 G714 F740 F741 D804	H672-H712 PolarHBondContact CE1-O 3.09Å; H673-H712 VanDerWaalsContact CE1-CB 3.45Å; H673-H712 WeakPolarHBondContact CE1-CB 3.33Å; D710-H712 PolarHBondContact O-N 3.14Å; D710-H712 IonicContact OD1-CE1 3.85Å; D710-H712 IonicContact OD1-CG 3.15Å; D710-H712 PolarHBondContact OD1-N 2.89Å; D710-H712 IonicContact OD1-ND1 2.67Å; D710-H712 PolarHBondContact OD1-ND1 2.78Å; H712-G714 PolarHBondContact O-N 3.42Å; H712-F740 AromaticContact CD2-CE1 3.32Å; H712-F740 WeakPolarHBondContact CD2-CE1 3.28Å; H712-F740 AromaticContact CD2-CZ 3.72Å; H712-F740 AromaticContact NE2-CE1 3.74Å; H712-F740 AromaticContact NE2-CZ 3.64Å; H712-F741 HydrophobicContact CB-CD1 4.49Å; H712-F741 AromaticContact CD2-CD1 3.92Å; H712-D804 IonicContact CE1-OD2 2.71Å; H712-D804 PolarHBondContact CE1-OD2 2.99Å; H712-D804 IonicContact ND1-OD2 2.73Å; H712-D804 PolarHBondContact ND1-OD2 3.43Å
713	H	98.9	Very high	98.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.098	C	C	.	.			trans	-66	123.3	175.9	173.7	-129.5	0	0	0	111.2	H673 N715 Q718 Y729 H733 P742 S744 G745	H673-H713 PolarHBondContact CE1-O 2.91Å; H673-H713 PolarHBondContact ND1-O 3.47Å; H673-H713 VanDerWaalsContact ND1-O 3.1Å; H713-N715 PolarHBondContact O-N 3.46Å; H713-N715 PolarHBondContact O-OD1 3.09Å; H713-Q718 VanDerWaalsContact CE1-CD 3.46Å; H713-Q718 PolarHBondContact CE1-OE1 2.94Å; H713-Q718 PolarHBondContact NE2-OE1 3.32Å; H713-Y729 AromaticContact NE2-CE1 3.87Å; H713-H733 HydrophobicContact CB-CB 4.22Å; H713-H733 AromaticContact CD2-CE1 3.76Å; H713-H733 AromaticContact CD2-ND1 3.75Å; H713-H733 AromaticContact CG-CE1 3.91Å; H713-H733 AromaticContact CG-ND1 3.98Å; H713-P742 HydrophobicContact CB-CG 4.18Å; H713-P742 WeakPolarHBondContact O-CG 3.32Å; H713-S744 WeakPolarHBondContact CB-O 3.41Å; H713-S744 VanDerWaalsContact ND1-C 3.3Å; H713-S744 PolarHBondContact ND1-O 2.94Å; H713-S744 PolarHBondContact ND1-OG 3.02Å; H713-G745 WeakPolarHBondContact ND1-CA 3.32Å; H713-G745 PolarHBondContact ND1-N 2.92Å
714	G	98.8	Very high	98.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.			trans	-73.8	62.5	175.2	0	0	0	0	0	113.2	H672 D708 H712 G716 T717 Q718 Y729	H672-G714 WeakPolarHBondContact ND1-CA 3.43Å; H672-G714 CarbonylContact O-C 3.52Å; H672-G714 VanDerWaalsContact O-C 3.3Å; D708-G714 WeakPolarHBondContact OD2-CA 3.41Å; H712-G714 PolarHBondContact O-N 3.42Å; G714-G716 PolarHBondContact O-N 2.95Å; G714-G716 VanDerWaalsContact O-N 3.11Å; G714-T717 WeakPolarHBondContact O-CA 3.47Å; G714-T717 VanDerWaalsContact O-CB 3.3Å; G714-T717 WeakPolarHBondContact O-CB 3.43Å; G714-T717 PolarHBondContact O-N 2.86Å; G714-Q718 PolarHBondContact O-N 3.11Å; G714-Q718 VanDerWaalsContact O-N 3.09Å; G714-Y729 VanDerWaalsContact CA-OH 3.23Å; G714-Y729 WeakPolarHBondContact CA-OH 3.45Å; G714-Y729 PolarHBondContact N-OH 2.89Å; G714-Y729 PolarHBondContact O-OH 2.98Å
715	N	98.8	Very high	98.8	Very high	21 Å²	21	19.9 Å²	19.9	11%	0.112	11%	0.107	C	C	.	.	H	α-helix	trans	-51.9	-33.9	-175.9	64.4	-80.6	0	0	0	114.3	H673 H713 T717 E719 P742 S744	H673-N715 WeakPolarHBondContact CA-OD1 3.37Å; H673-N715 PolarHBondContact ND1-OD1 3.16Å; H673-N715 PolarHBondContact O-ND2 2.97Å; H673-N715 VanDerWaalsContact O-ND2 3.15Å; H713-N715 PolarHBondContact O-N 3.46Å; H713-N715 PolarHBondContact O-OD1 3.09Å; N715-T717 VanDerWaalsContact C-N 3.32Å; N715-E719 WeakPolarHBondContact O-CB 3.45Å; N715-E719 PolarHBondContact O-N 2.97Å; N715-E719 VanDerWaalsContact O-N 3.1Å; N715-P742 HydrophobicContact CB-CG 4.22Å; N715-S744 WeakPolarHBondContact CB-OG 3.46Å
716	G	98.7	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-72.4	-26.5	176.6	0	0	0	0	0	112.6	H672 N686 G714 V720	H672-G716 CarbonylContact O-C 3.53Å; H672-G716 VanDerWaalsContact O-CA 3.28Å; H672-G716 WeakPolarHBondContact O-CA 3.41Å; H672-G716 PolarHBondContact O-N 3.21Å; N686-G716 VanDerWaalsContact ND2-C 3.34Å; G714-G716 PolarHBondContact O-N 2.95Å; G714-G716 VanDerWaalsContact O-N 3.11Å; G716-V720 WeakPolarHBondContact O-CG2 3.47Å
717	T	98.9	Very high	98.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-76.8	-45.4	172.5	-47	0	0	0	0	110.6	H672 N686 I706 G714 N715 E719 V720 F721 Y729	H672-T717 PolarHBondContact O-N 2.86Å; N686-T717 WeakPolarHBondContact ND2-CA 3.49Å; N686-T717 PolarHBondContact ND2-N 2.9Å; N686-T717 VanDerWaalsContact ND2-N 3.17Å; N686-T717 PolarHBondContact ND2-OG1 3.48Å; I706-T717 HydrophobicContact CD1-CG2 3.97Å; I706-T717 HydrophobicContact CG2-CG2 4.17Å; G714-T717 WeakPolarHBondContact O-CA 3.47Å; G714-T717 VanDerWaalsContact O-CB 3.3Å; G714-T717 WeakPolarHBondContact O-CB 3.43Å; G714-T717 PolarHBondContact O-N 2.86Å; N715-T717 VanDerWaalsContact C-N 3.32Å; T717-E719 PolarHBondContact O-N 2.83Å; T717-V720 PolarHBondContact O-N 2.92Å; T717-F721 HydrophobicContact CG2-CD2 4.19Å; T717-F721 HydrophobicContact CG2-CE2 4.25Å; T717-F721 WeakPolarHBondContact O-CD2 3.28Å; T717-F721 PolarHBondContact O-N 2.88Å; T717-Y729 HydrophobicContact CG2-CD2 3.52Å; T717-Y729 HydrophobicContact CG2-CE2 3.48Å; T717-Y729 VanDerWaalsContact CG2-CE2 3.48Å; T717-Y729 HydrophobicContact CG2-CG 4.46Å
718	Q	98.8	Very high	98.8	Very high	17 Å²	17	21.5 Å²	21.5	8%	0.079	12%	0.118	C	C	.	.	H	α-helix	trans	-52.1	-57.1	174.9	175.8	170.9	-82	0	0	111.1	H713 G714 V720 F721 Y722 Y729 E749 N759 N761	H713-Q718 VanDerWaalsContact CE1-CD 3.46Å; H713-Q718 PolarHBondContact CE1-OE1 2.94Å; H713-Q718 PolarHBondContact NE2-OE1 3.32Å; G714-Q718 PolarHBondContact O-N 3.11Å; G714-Q718 VanDerWaalsContact O-N 3.09Å; Q718-V720 PolarHBondContact O-N 3.33Å; Q718-V720 VanDerWaalsContact O-N 3.16Å; Q718-F721 PolarHBondContact O-N 2.82Å; Q718-F721 VanDerWaalsContact O-N 3.16Å; Q718-Y722 HydrophobicContact CG-CD2 3.53Å; Q718-Y722 HydrophobicContact CG-CE2 3.93Å; Q718-Y722 WeakPolarHBondContact O-CB 3.3Å; Q718-Y722 PolarHBondContact O-N 2.71Å; Q718-Y729 HydrophobicContact CB-CD1 4.25Å; Q718-Y729 HydrophobicContact CB-CE1 4.09Å; Q718-E749 PolarHBondContact NE2-OE2 3.23Å; Q718-N759 WeakPolarHBondContact CG-OD1 3.39Å; Q718-N759 PolarHBondContact OE1-ND2 2.62Å; Q718-N761 PolarHBondContact OE1-ND2 3.42Å
719	E	98.6	Very high	98.8	Very high	122 Å²	122	21.6 Å²	21.6	57%	0.57	12%	0.118	S	C	*	.	H	α-helix	trans	-53.9	-37.8	-177.8	178.5	63.8	-169.4	0	0	113.1	P676 N715 T717 F721	P676-E719 HydrophobicContact CG-CG 4.2Å; N715-E719 WeakPolarHBondContact O-CB 3.45Å; N715-E719 PolarHBondContact O-N 2.97Å; N715-E719 VanDerWaalsContact O-N 3.1Å; T717-E719 PolarHBondContact O-N 2.83Å; E719-F721 VanDerWaalsContact C-N 3.33Å; E719-F721 PolarHBondContact O-N 3.08Å
720	V	98.7	Very high	98.8	Very high	23 Å²	23	21.6 Å²	21.6	14%	0.139	12%	0.118	C	C	.	.	H	α-helix	trans	-75.5	-21	-174	172.7	0	0	0	0	113.3	V583 P676 A689 K693 G716 T717 Q718	V583-V720 HydrophobicContact CG1-CG1 4.13Å; V583-V720 HydrophobicContact CG1-CG2 3.62Å; V583-V720 HydrophobicContact CG2-CG1 4.1Å; P676-V720 HydrophobicContact CG-CG2 4.03Å; A689-V720 HydrophobicContact CB-CB 4.47Å; A689-V720 HydrophobicContact CB-CG1 4.09Å; K693-V720 HydrophobicContact CG-CG1 4.47Å; G716-V720 WeakPolarHBondContact O-CG2 3.47Å; T717-V720 PolarHBondContact O-N 2.92Å; Q718-V720 PolarHBondContact O-N 3.33Å; Q718-V720 VanDerWaalsContact O-N 3.16Å
721	F	98.8	Very high	98.8	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-121.2	3	179.9	-57.7	-74.5	0	0	0	114	A689 A692 K693 I706 T717 Q718 E719 S723 D724 V727	A689-F721 HydrophobicContact CB-CE2 3.6Å; A689-F721 HydrophobicContact CB-CZ 4.01Å; A692-F721 HydrophobicContact CB-CE1 4.2Å; A692-F721 HydrophobicContact CB-CE2 4.43Å; A692-F721 HydrophobicContact CB-CZ 3.65Å; K693-F721 HydrophobicContact CD-CE1 4.12Å; K693-F721 HydrophobicContact CG-CE1 4.06Å; K693-F721 HydrophobicContact CG-CZ 4.06Å; K693-F721 VanDerWaalsContact NZ-CE1 3.27Å; I706-F721 HydrophobicContact CD1-CD2 3.99Å; I706-F721 HydrophobicContact CD1-CE2 3.63Å; I706-F721 HydrophobicContact CD1-CZ 4.22Å; T717-F721 HydrophobicContact CG2-CD2 4.19Å; T717-F721 HydrophobicContact CG2-CE2 4.25Å; T717-F721 WeakPolarHBondContact O-CD2 3.28Å; T717-F721 PolarHBondContact O-N 2.88Å; Q718-F721 PolarHBondContact O-N 2.82Å; Q718-F721 VanDerWaalsContact O-N 3.16Å; E719-F721 VanDerWaalsContact C-N 3.33Å; E719-F721 PolarHBondContact O-N 3.08Å; F721-S723 PolarHBondContact O-N 3.48Å; F721-D724 HydrophobicContact CD1-CB 4.41Å; F721-D724 PolarHBondContact O-N 3.13Å; F721-V727 HydrophobicContact CB-CB 4.15Å; F721-V727 HydrophobicContact CB-CG1 4.26Å; F721-V727 HydrophobicContact CD1-CB 3.47Å; F721-V727 VanDerWaalsContact CD1-CB 3.47Å; F721-V727 HydrophobicContact CD1-CG1 3.72Å; F721-V727 HydrophobicContact CD1-CG2 3.46Å; F721-V727 VanDerWaalsContact CD1-CG2 3.46Å; F721-V727 HydrophobicContact CD2-CG1 4.08Å; F721-V727 HydrophobicContact CE1-CB 4.03Å; F721-V727 HydrophobicContact CE1-CG1 4.05Å; F721-V727 HydrophobicContact CE1-CG2 3.59Å; F721-V727 HydrophobicContact CE2-CG1 4.41Å; F721-V727 HydrophobicContact CG-CB 3.85Å; F721-V727 HydrophobicContact CG-CG1 3.75Å; F721-V727 HydrophobicContact CG-CG2 4.33Å; F721-V727 HydrophobicContact CZ-CG1 4.42Å
722	Y	98.8	Very high	98.8	Very high	55 Å²	55	21.6 Å²	21.6	22%	0.216	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-6.9	-174	-152.4	-110.4	0	0	0	116.2	Q718 E749 V750 G751 S752 N759	Q718-Y722 HydrophobicContact CG-CD2 3.53Å; Q718-Y722 HydrophobicContact CG-CE2 3.93Å; Q718-Y722 WeakPolarHBondContact O-CB 3.3Å; Q718-Y722 PolarHBondContact O-N 2.71Å; Y722-E749 HydrophobicContact CE2-CB 4.26Å; Y722-E749 VanDerWaalsContact OH-C 3.31Å; Y722-E749 VanDerWaalsContact OH-CA 3.27Å; Y722-E749 WeakPolarHBondContact OH-CA 3.33Å; Y722-V750 PolarHBondContact OH-N 3.16Å; Y722-G751 VanDerWaalsContact CE1-C 3.42Å; Y722-G751 WeakPolarHBondContact CE1-O 3.44Å; Y722-G751 VanDerWaalsContact CE2-CA 3.46Å; Y722-G751 VanDerWaalsContact CE2-N 3.34Å; Y722-G751 VanDerWaalsContact CZ-N 3.3Å; Y722-G751 CarbonylContact O-C 3.26Å; Y722-G751 WeakPolarHBondContact O-CA 3.33Å; Y722-G751 PolarHBondContact OH-N 2.94Å; Y722-G751 PolarHBondContact OH-O 2.92Å; Y722-S752 WeakPolarHBondContact CD1-OG 3.45Å; Y722-S752 PolarHBondContact O-N 3.03Å; Y722-S752 PolarHBondContact O-OG 3.35Å; Y722-N759 HydrophobicContact CD2-CB 4.3Å; Y722-N759 HydrophobicContact CE2-CB 4.22Å
723	S	98.8	Very high	98.8	Very high	77 Å²	77	21 Å²	21	54%	0.538	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	14.5	173.5	55.6	0	0	0	0	114.3	F721 P725 S752	F721-S723 PolarHBondContact O-N 3.48Å; S723-P725 WeakPolarHBondContact O-CD 3.47Å; S723-S752 WeakPolarHBondContact CA-O 3.46Å; S723-S752 WeakPolarHBondContact CB-O 3.15Å
724	D	98.8	Very high	98.8	Very high	31 Å²	31	22.3 Å²	22.3	17%	0.166	12%	0.121	C	C	.	.			trans	-115.3	91.8	-171.8	-175.8	-5	0	0	0	111.9	K693 Q696 F721 S726 V727	K693-D724 IonicContact NZ-OD2 3.38Å; K693-D724 PolarHBondContact NZ-OD2 3.41Å; Q696-D724 PolarHBondContact NE2-OD2 2.9Å; F721-D724 HydrophobicContact CD1-CB 4.41Å; F721-D724 PolarHBondContact O-N 3.13Å; D724-S726 PolarHBondContact O-N 3.3Å; D724-S726 WeakPolarHBondContact OD1-CB 3.38Å; D724-S726 PolarHBondContact OD1-N 2.85Å; D724-S726 VanDerWaalsContact OD1-N 3.15Å; D724-S726 PolarHBondContact OD1-OG 2.73Å; D724-V727 PolarHBondContact O-N 3.06Å; D724-V727 VanDerWaalsContact O-O 3.13Å
725	P	98.7	Very high	98.8	Very high	49 Å²	49	23.9 Å²	23.9	32%	0.318	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-3.7	-177.7	28.7	-35.8	0	0	0	114.6	S723 A754 F758	S723-P725 WeakPolarHBondContact O-CD 3.47Å; P725-A754 VanDerWaalsContact CB-O 3.28Å; P725-A754 WeakPolarHBondContact CB-O 3.36Å; P725-A754 HydrophobicContact CG-CB 4.08Å; P725-A754 VanDerWaalsContact CG-O 3.28Å; P725-A754 WeakPolarHBondContact CG-O 3.44Å; P725-F758 HydrophobicContact CB-CD1 4.17Å; P725-F758 HydrophobicContact CB-CD2 3.68Å; P725-F758 HydrophobicContact CB-CE1 4.11Å; P725-F758 HydrophobicContact CB-CE2 3.62Å; P725-F758 HydrophobicContact CB-CG 3.97Å; P725-F758 HydrophobicContact CB-CZ 3.84Å; P725-F758 WeakPolarHBondContact O-CD1 3.23Å; P725-F758 WeakPolarHBondContact O-CE1 3.33Å
726	S	98.8	Very high	98.8	Very high	34 Å²	34	23.6 Å²	23.6	24%	0.238	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-6	171	71.3	0	0	0	0	112.8	Q696 S702 K703 I704 D724	Q696-S726 PolarHBondContact NE2-OG 2.9Å; S702-S726 WeakPolarHBondContact O-CB 3.44Å; K703-S726 WeakPolarHBondContact CA-O 3.28Å; I704-S726 PolarHBondContact N-O 3.26Å; D724-S726 PolarHBondContact O-N 3.3Å; D724-S726 WeakPolarHBondContact OD1-CB 3.38Å; D724-S726 PolarHBondContact OD1-N 2.85Å; D724-S726 VanDerWaalsContact OD1-N 3.15Å; D724-S726 PolarHBondContact OD1-OG 2.73Å
727	V	98.9	Very high	98.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	116.9	173	-172.9	0	0	0	0	110.4	I704 I706 F721 D724	I704-V727 HydrophobicContact CB-CG1 4.38Å; I704-V727 HydrophobicContact CB-CG2 4.21Å; I704-V727 CarbonylContact O-C 3.51Å; I704-V727 VanDerWaalsContact O-CA 3.3Å; I704-V727 WeakPolarHBondContact O-CA 3.3Å; I706-V727 HydrophobicContact CD1-CG1 3.62Å; I706-V727 HydrophobicContact CG1-CG1 3.91Å; F721-V727 HydrophobicContact CB-CB 4.15Å; F721-V727 HydrophobicContact CB-CG1 4.26Å; F721-V727 HydrophobicContact CD1-CB 3.47Å; F721-V727 VanDerWaalsContact CD1-CB 3.47Å; F721-V727 HydrophobicContact CD1-CG1 3.72Å; F721-V727 HydrophobicContact CD1-CG2 3.46Å; F721-V727 VanDerWaalsContact CD1-CG2 3.46Å; F721-V727 HydrophobicContact CD2-CG1 4.08Å; F721-V727 HydrophobicContact CE1-CB 4.03Å; F721-V727 HydrophobicContact CE1-CG1 4.05Å; F721-V727 HydrophobicContact CE1-CG2 3.59Å; F721-V727 HydrophobicContact CE2-CG1 4.41Å; F721-V727 HydrophobicContact CG-CB 3.85Å; F721-V727 HydrophobicContact CG-CG1 3.75Å; F721-V727 HydrophobicContact CG-CG2 4.33Å; F721-V727 HydrophobicContact CZ-CG1 4.42Å; D724-V727 PolarHBondContact O-N 3.06Å; D724-V727 VanDerWaalsContact O-O 3.13Å
728	L	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.9	172.5	169.2	59.8	0	0	0	109	I704 L705 I706 I730 F758 V760 I788 F792 W897	I704-L728 PolarHBondContact O-N 2.93Å; L705-L728 HydrophobicContact CD1-CB 4.26Å; L705-L728 HydrophobicContact CD1-CD2 3.81Å; L705-L728 HydrophobicContact CD1-CG 3.78Å; I706-L728 PolarHBondContact N-O 3.19Å; L728-I730 HydrophobicContact CD1-CG1 4.04Å; L728-I730 HydrophobicContact CD2-CD1 4.17Å; L728-I730 HydrophobicContact CD2-CG1 4.43Å; L728-I730 HydrophobicContact CG-CD1 4.29Å; L728-I730 HydrophobicContact CG-CG1 4Å; L728-F758 WeakPolarHBondContact CA-O 3.49Å; L728-F758 WeakPolarHBondContact CD1-O 3.42Å; L728-V760 HydrophobicContact CD1-CG2 3.94Å; L728-I788 HydrophobicContact CD1-CG2 4.27Å; L728-I788 HydrophobicContact CD2-CG2 3.81Å; L728-F792 HydrophobicContact CB-CD1 3.77Å; L728-F792 HydrophobicContact CB-CD2 4.18Å; L728-F792 HydrophobicContact CB-CE1 3.59Å; L728-F792 HydrophobicContact CB-CE2 4.02Å; L728-F792 HydrophobicContact CB-CG 4.05Å; L728-F792 HydrophobicContact CB-CZ 3.71Å; L728-F792 HydrophobicContact CD2-CB 3.56Å; L728-F792 HydrophobicContact CD2-CD1 3.61Å; L728-F792 HydrophobicContact CD2-CD2 4.24Å; L728-F792 HydrophobicContact CD2-CE1 4.31Å; L728-F792 HydrophobicContact CD2-CG 3.55Å; L728-F792 HydrophobicContact CG-CD1 4.35Å; L728-F792 HydrophobicContact CG-CG 4.47Å; L728-W897 HydrophobicContact CD1-CZ2 4.3Å
729	Y	98.9	Very high	98.6	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.9	172.4	-178.1	-110.7	0	0	0	110.2	I706 D708 H713 G714 T717 Q718 F758 N759 V760	I706-Y729 HydrophobicContact CB-CD2 4.09Å; I706-Y729 HydrophobicContact CG2-CD2 3.91Å; I706-Y729 HydrophobicContact CG2-CE2 4.2Å; D708-Y729 HydrophobicContact CB-CE2 3.64Å; D708-Y729 WeakPolarHBondContact CB-OH 3.28Å; D708-Y729 VanDerWaalsContact CG-OH 3.32Å; D708-Y729 PolarHBondContact OD2-OH 3.13Å; H713-Y729 AromaticContact NE2-CE1 3.87Å; G714-Y729 VanDerWaalsContact CA-OH 3.23Å; G714-Y729 WeakPolarHBondContact CA-OH 3.45Å; G714-Y729 PolarHBondContact N-OH 2.89Å; G714-Y729 PolarHBondContact O-OH 2.98Å; T717-Y729 HydrophobicContact CG2-CD2 3.52Å; T717-Y729 HydrophobicContact CG2-CE2 3.48Å; T717-Y729 VanDerWaalsContact CG2-CE2 3.48Å; T717-Y729 HydrophobicContact CG2-CG 4.46Å; Q718-Y729 HydrophobicContact CB-CD1 4.25Å; Q718-Y729 HydrophobicContact CB-CE1 4.09Å; Y729-F758 PolarHBondContact N-O 3.36Å; Y729-N759 WeakPolarHBondContact CD1-OD1 3.49Å; Y729-V760 PolarHBondContact O-N 3.07Å
730	I	98.9	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.3	173.7	-48.7	-174.3	0	0	0	109	L705 I706 V707 D708 L728 L732 V760 I762 V785 I788	L705-I730 HydrophobicContact CD1-CD1 3.9Å; L705-I730 HydrophobicContact CD1-CG1 3.98Å; I706-I730 PolarHBondContact O-N 2.86Å; V707-I730 CarbonylContact C-O 3.45Å; V707-I730 WeakPolarHBondContact CA-O 3.33Å; D708-I730 PolarHBondContact N-O 3.49Å; L728-I730 HydrophobicContact CD1-CG1 4.04Å; L728-I730 HydrophobicContact CD2-CD1 4.17Å; L728-I730 HydrophobicContact CD2-CG1 4.43Å; L728-I730 HydrophobicContact CG-CD1 4.29Å; L728-I730 HydrophobicContact CG-CG1 4Å; I730-L732 HydrophobicContact CG2-CD1 4.5Å; I730-V760 WeakPolarHBondContact CA-O 3.31Å; I730-V760 HydrophobicContact CB-CB 4.35Å; I730-V760 HydrophobicContact CG1-CB 4.06Å; I730-V760 HydrophobicContact CG1-CG2 4.33Å; I730-V760 HydrophobicContact CG2-CB 4.13Å; I730-V760 HydrophobicContact CG2-CG1 4.14Å; I730-I762 HydrophobicContact CG2-CD1 3.95Å; I730-V785 HydrophobicContact CD1-CG1 4.08Å; I730-V785 HydrophobicContact CG2-CG1 4.35Å; I730-V785 HydrophobicContact CG2-CG2 4.2Å; I730-I788 HydrophobicContact CD1-CB 4.5Å; I730-I788 HydrophobicContact CD1-CG2 4.33Å
731	S	98.9	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.3	179.4	-173.8	0	0	0	0	112.2	D708 H733 V760 I762	D708-S731 CarbonylContact O-C 3.54Å; D708-S731 WeakPolarHBondContact O-CA 3.18Å; S731-H733 PolarHBondContact OG-ND1 3.34Å; S731-V760 PolarHBondContact N-O 2.99Å; S731-I762 WeakPolarHBondContact O-CA 2.96Å; S731-I762 VanDerWaalsContact O-CB 3.31Å; S731-I762 WeakPolarHBondContact O-CB 3.18Å; S731-I762 PolarHBondContact O-N 2.99Å
732	L	98.9	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.			trans	-120.2	69.5	178.2	-64.5	95.2	0	0	0	111.2	V707 D708 I730 I762 Y777 A780 F781 V785	V707-L732 HydrophobicContact CG1-CD1 3.99Å; D708-L732 PolarHBondContact O-N 2.76Å; I730-L732 HydrophobicContact CG2-CD1 4.5Å; L732-I762 HydrophobicContact CD1-CD1 4.44Å; L732-I762 HydrophobicContact CD2-CD1 4.13Å; L732-I762 HydrophobicContact CG-CB 4.21Å; L732-I762 HydrophobicContact CG-CD1 3.9Å; L732-I762 HydrophobicContact CG-CG2 4.5Å; L732-Y777 HydrophobicContact CB-CE1 3.85Å; L732-Y777 HydrophobicContact CD2-CD1 4.06Å; L732-Y777 HydrophobicContact CD2-CE1 4.23Å; L732-Y777 PolarHBondContact O-OH 3Å; L732-A780 HydrophobicContact CD2-CB 3.72Å; L732-F781 HydrophobicContact CD1-CE2 3.99Å; L732-F781 HydrophobicContact CD2-CD2 3.9Å; L732-F781 HydrophobicContact CD2-CE2 3.72Å; L732-V785 HydrophobicContact CD1-CG2 4.02Å; L732-V785 HydrophobicContact CD2-CG2 4.06Å; L732-V785 HydrophobicContact CG-CG2 4.39Å
733	H	98.9	Very high	98.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.204	C	C	.	.			trans	-111.1	158.8	-169.9	59.8	-99.1	0	0	0	112.9	V711 H713 S731 G745 I762 W764	V711-H733 WeakPolarHBondContact O-CA 3.44Å; V711-H733 WeakPolarHBondContact O-CB 3.44Å; H713-H733 HydrophobicContact CB-CB 4.22Å; H713-H733 AromaticContact CD2-CE1 3.76Å; H713-H733 AromaticContact CD2-ND1 3.75Å; H713-H733 AromaticContact CG-CE1 3.91Å; H713-H733 AromaticContact CG-ND1 3.98Å; S731-H733 PolarHBondContact OG-ND1 3.34Å; H733-G745 PolarHBondContact CE1-O 2.94Å; H733-G745 PolarHBondContact NE2-O 2.9Å; H733-G745 VanDerWaalsContact NE2-O 3.08Å; H733-I762 PolarHBondContact N-O 3.33Å; H733-W764 WeakPolarHBondContact O-CB 3.13Å; H733-W764 VanDerWaalsContact O-CD1 3.24Å; H733-W764 PolarHBondContact O-N 2.93Å
734	R	98.8	Very high	98.4	Very high	30 Å²	30	33 Å²	33	11%	0.113	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-74.7	125.7	167.3	-179.2	170.9	178	-144.7	-19	109.5	V711 D736 F740 A811 G814 Y816	V711-R734 HydrophobicContact CG2-CB 3.91Å; V711-R734 PolarHBondContact O-N 2.78Å; R734-D736 IonicContact CZ-OD2 2.9Å; R734-D736 IonicContact NE-OD2 2.9Å; R734-D736 PolarHBondContact NE-OD2 2.75Å; R734-D736 IonicContact NH2-OD2 2.85Å; R734-D736 PolarHBondContact NH2-OD2 2.68Å; R734-F740 HydrophobicContact CB-CD1 3.68Å; R734-F740 HydrophobicContact CB-CE1 3.98Å; R734-F740 HydrophobicContact CB-CG 4.16Å; R734-F740 HydrophobicContact CG-CB 4Å; R734-F740 HydrophobicContact CG-CD1 3.81Å; R734-F740 HydrophobicContact CG-CD2 4.25Å; R734-F740 HydrophobicContact CG-CE1 4.34Å; R734-F740 HydrophobicContact CG-CG 3.74Å; R734-F740 VanDerWaalsContact O-CD1 3.32Å; R734-F740 WeakPolarHBondContact O-CD1 3.28Å; R734-A811 PolarHBondContact NH1-O 3.36Å; R734-G814 WeakPolarHBondContact CD-O 3.13Å; R734-G814 PolarHBondContact NH1-O 3.44Å; R734-Y816 HydrophobicContact CB-CE1 4.49Å; R734-Y816 HydrophobicContact CB-CE2 3.94Å; R734-Y816 WeakPolarHBondContact CB-OH 3.32Å; R734-Y816 HydrophobicContact CG-CE1 4.26Å; R734-Y816 WeakPolarHBondContact CG-OH 3.38Å
735	Y	98.7	Very high	98.3	Very high	32 Å²	32	31.5 Å²	31.5	13%	0.125	18%	0.182	C	C	.	.			trans	-116.7	-47.9	-176	-178.5	-113.8	0	0	0	112.2	D737 A738 N739 F740 A763 W764	Y735-D737 VanDerWaalsContact C-N 3.35Å; Y735-D737 PolarHBondContact O-N 2.91Å; Y735-A738 HydrophobicContact CE2-CB 3.9Å; Y735-A738 CarbonylContact O-C 3.55Å; Y735-A738 WeakPolarHBondContact O-CA 3.32Å; Y735-A738 PolarHBondContact O-N 3.41Å; Y735-A738 VanDerWaalsContact O-N 3.08Å; Y735-N739 PolarHBondContact O-N 2.82Å; Y735-F740 PolarHBondContact O-N 3.33Å; Y735-A763 HydrophobicContact CD1-CB 4.07Å; Y735-A763 HydrophobicContact CD2-CB 4.42Å; Y735-A763 HydrophobicContact CG-CB 3.82Å; Y735-W764 PolarHBondContact N-O 3.31Å
736	D	97.8	Very high	98.3	Very high	16 Å²	16	30 Å²	30	9%	0.086	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	53.9	-179.5	-69.9	-22.5	0	0	0	113.1	R734 A738 N739 W764 G766 G767	R734-D736 IonicContact CZ-OD2 2.9Å; R734-D736 IonicContact NE-OD2 2.9Å; R734-D736 PolarHBondContact NE-OD2 2.75Å; R734-D736 IonicContact NH2-OD2 2.85Å; R734-D736 PolarHBondContact NH2-OD2 2.68Å; D736-A738 VanDerWaalsContact C-N 3.31Å; D736-A738 PolarHBondContact O-N 2.79Å; D736-N739 VanDerWaalsContact O-CB 3.25Å; D736-N739 WeakPolarHBondContact O-CB 3.38Å; D736-N739 PolarHBondContact O-N 2.85Å; D736-N739 PolarHBondContact O-ND2 2.81Å; D736-W764 PolarHBondContact N-O 2.75Å; D736-W764 VanDerWaalsContact N-O 3.12Å; D736-G766 PolarHBondContact OD1-N 2.65Å; D736-G767 WeakPolarHBondContact OD1-CA 3.36Å; D736-G767 PolarHBondContact OD1-N 3.3Å; D736-G767 WeakPolarHBondContact OD2-CA 3.34Å
737	D	96.9	Very high	98.3	Very high	116 Å²	116	29.3 Å²	29.3	62%	0.62	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	46.3	-177.4	-61.1	-56.7	0	0	0	112.9	Y735 N739 T765	Y735-D737 VanDerWaalsContact C-N 3.35Å; Y735-D737 PolarHBondContact O-N 2.91Å; D737-N739 VanDerWaalsContact C-N 3.26Å; D737-N739 PolarHBondContact O-N 2.92Å; D737-N739 PolarHBondContact O-ND2 3.35Å; D737-T765 WeakPolarHBondContact OD1-CG2 3.42Å; D737-T765 WeakPolarHBondContact OD2-CG2 3.09Å
738	A	97.4	Very high	98.3	Very high	40 Å²	40	33.9 Å²	33.9	33%	0.331	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	13.4	-174.1	0	0	0	0	0	116.5	Y735 D736 G743	Y735-A738 HydrophobicContact CE2-CB 3.9Å; Y735-A738 CarbonylContact O-C 3.55Å; Y735-A738 WeakPolarHBondContact O-CA 3.32Å; Y735-A738 PolarHBondContact O-N 3.41Å; Y735-A738 VanDerWaalsContact O-N 3.08Å; D736-A738 VanDerWaalsContact C-N 3.31Å; D736-A738 PolarHBondContact O-N 2.79Å; A738-G743 WeakPolarHBondContact CB-O 3.34Å
739	N	98	Very high	98.3	Very high	140 Å²	140	36 Å²	36	75%	0.749	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	0.6	178.4	-61.8	-85.2	0	0	0	114.1	Y735 D736 D737	Y735-N739 PolarHBondContact O-N 2.82Å; D736-N739 VanDerWaalsContact O-CB 3.25Å; D736-N739 WeakPolarHBondContact O-CB 3.38Å; D736-N739 PolarHBondContact O-N 2.85Å; D736-N739 PolarHBondContact O-ND2 2.81Å; D737-N739 VanDerWaalsContact C-N 3.26Å; D737-N739 PolarHBondContact O-N 2.92Å; D737-N739 PolarHBondContact O-ND2 3.35Å
740	F	98.4	Very high	98.3	Very high	18 Å²	18	36.6 Å²	36.6	8%	0.079	21%	0.209	C	C	.	.	S	Bend	trans	-110.8	151.6	171.7	-167.4	-104.4	0	0	0	111.7	V711 H712 R734 Y735 G743	V711-F740 HydrophobicContact CG1-CE1 4.16Å; V711-F740 HydrophobicContact CG1-CZ 4.3Å; H712-F740 AromaticContact CD2-CE1 3.32Å; H712-F740 WeakPolarHBondContact CD2-CE1 3.28Å; H712-F740 AromaticContact CD2-CZ 3.72Å; H712-F740 AromaticContact NE2-CE1 3.74Å; H712-F740 AromaticContact NE2-CZ 3.64Å; R734-F740 HydrophobicContact CB-CD1 3.68Å; R734-F740 HydrophobicContact CB-CE1 3.98Å; R734-F740 HydrophobicContact CB-CG 4.16Å; R734-F740 HydrophobicContact CG-CB 4Å; R734-F740 HydrophobicContact CG-CD1 3.81Å; R734-F740 HydrophobicContact CG-CD2 4.25Å; R734-F740 HydrophobicContact CG-CE1 4.34Å; R734-F740 HydrophobicContact CG-CG 3.74Å; R734-F740 VanDerWaalsContact O-CD1 3.32Å; R734-F740 WeakPolarHBondContact O-CD1 3.28Å; Y735-F740 PolarHBondContact O-N 3.33Å; F740-G743 WeakPolarHBondContact O-CA 3.43Å; F740-G743 PolarHBondContact O-N 3.41Å
741	F	97.5	Very high	98.3	Very high	86 Å²	86	37 Å²	37	38%	0.377	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	136.6	-176.8	179.8	-91.8	0	0	0	111.3	H673 M680 H712	H673-F741 AromaticContact CD2-CE1 3.92Å; H673-F741 AromaticContact CE1-CE1 3.82Å; H673-F741 AromaticContact NE2-CE1 3.55Å; M680-F741 HydrophobicContact CE-CE2 4.07Å; M680-F741 HydrophobicContact CE-CZ 3.67Å; H712-F741 HydrophobicContact CB-CD1 4.49Å; H712-F741 AromaticContact CD2-CD1 3.92Å
742	P	97.4	Very high	98.3	Very high	32 Å²	32	39.3 Å²	39.3	21%	0.208	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.7	9.9	4.6	37.3	-37.7	0	0	0	115.6	M680 H713 N715 S744	M680-P742 HydrophobicContact CE-CB 3.79Å; H713-P742 HydrophobicContact CB-CG 4.18Å; H713-P742 WeakPolarHBondContact O-CG 3.32Å; N715-P742 HydrophobicContact CB-CG 4.22Å; P742-S744 VanDerWaalsContact C-N 3.33Å; P742-S744 PolarHBondContact O-N 3.5Å
743	G	97.4	Very high	98.3	Very high	31 Å²	31	42.5 Å²	42.5	32%	0.32	26%	0.262	S	S	.	.			trans	78.9	8.8	179.3	0	0	0	0	0	115.6	A738 F740	A738-G743 WeakPolarHBondContact CB-O 3.34Å; F740-G743 WeakPolarHBondContact O-CA 3.43Å; F740-G743 PolarHBondContact O-N 3.41Å
744	S	98.5	Very high	98.2	Very high	34 Å²	34	45.8 Å²	45.8	24%	0.238	29%	0.29	C	S	.	.			trans	-113.2	173.5	168.5	53.3	0	0	0	0	109.8	H713 N715 P742	H713-S744 WeakPolarHBondContact CB-O 3.41Å; H713-S744 VanDerWaalsContact ND1-C 3.3Å; H713-S744 PolarHBondContact ND1-O 2.94Å; H713-S744 PolarHBondContact ND1-OG 3.02Å; N715-S744 WeakPolarHBondContact CB-OG 3.46Å; P742-S744 VanDerWaalsContact C-N 3.33Å; P742-S744 PolarHBondContact O-N 3.5Å
745	G	98.6	Very high	98.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	29%	0.285	C	S	.	.			trans	103.2	27.8	179.4	0	0	0	0	0	113.6	H713 H733 E749 N761 A763	H713-G745 WeakPolarHBondContact ND1-CA 3.32Å; H713-G745 PolarHBondContact ND1-N 2.92Å; H733-G745 PolarHBondContact CE1-O 2.94Å; H733-G745 PolarHBondContact NE2-O 2.9Å; H733-G745 VanDerWaalsContact NE2-O 3.08Å; G745-E749 WeakPolarHBondContact CA-OE2 3.47Å; G745-E749 PolarHBondContact N-OE1 2.96Å; G745-E749 PolarHBondContact N-OE2 2.9Å; G745-N761 WeakPolarHBondContact CA-ND2 3.33Å; G745-N761 VanDerWaalsContact O-CB 3.23Å; G745-N761 WeakPolarHBondContact O-CB 3.23Å; G745-A763 VanDerWaalsContact O-CB 3.25Å; G745-A763 WeakPolarHBondContact O-CB 3.43Å
746	S	98.7	Very high	98.2	Very high	19 Å²	19	47.4 Å²	47.4	13%	0.133	30%	0.3	C	S	.	.			trans	-53.1	145.2	173.6	177.6	0	0	0	0	111.3	T748 E749 N761	S746-T748 PolarHBondContact O-N 2.76Å; S746-T748 PolarHBondContact OG-N 2.93Å; S746-T748 PolarHBondContact OG-OG1 3.44Å; S746-E749 WeakPolarHBondContact CB-OE1 3.45Å; S746-E749 VanDerWaalsContact N-CD 3.29Å; S746-E749 PolarHBondContact N-OE1 3.01Å; S746-E749 WeakPolarHBondContact O-CB 3.36Å; S746-E749 PolarHBondContact O-N 3.01Å; S746-N761 WeakPolarHBondContact O-CB 3.47Å; S746-N761 PolarHBondContact O-ND2 3.07Å; S746-N761 VanDerWaalsContact O-ND2 3.15Å
747	P	98.7	Very high	98.3	Very high	19 Å²	19	46.7 Å²	46.7	12%	0.123	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.1	169	-27.1	37.2	0	0	0	113.9	A763 T888 V889 I892	P747-A763 HydrophobicContact CG-CB 3.69Å; P747-T888 HydrophobicContact CB-CG2 4.31Å; P747-V889 HydrophobicContact CB-CG2 4.13Å; P747-V889 HydrophobicContact CG-CG2 4.33Å; P747-I892 HydrophobicContact CB-CD1 3.71Å
748	T	98.6	Very high	98.4	Very high	97 Å²	97	43.7 Å²	43.7	60%	0.595	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-9.3	177.4	63.7	0	0	0	0	114.1	S746 V750 I892	S746-T748 PolarHBondContact O-N 2.76Å; S746-T748 PolarHBondContact OG-N 2.93Å; S746-T748 PolarHBondContact OG-OG1 3.44Å; T748-V750 VanDerWaalsContact C-N 3.27Å; T748-V750 PolarHBondContact O-N 3.21Å; T748-I892 HydrophobicContact CG2-CD1 4.05Å
749	E	98.8	Very high	98.4	Very high	43 Å²	43	41.9 Å²	41.9	20%	0.201	26%	0.263	C	S	.	.			trans	-80.9	73.4	176.5	-70.7	161.3	-132.9	0	0	109.5	Q718 Y722 G745 S746 N759	Q718-E749 PolarHBondContact NE2-OE2 3.23Å; Y722-E749 HydrophobicContact CE2-CB 4.26Å; Y722-E749 VanDerWaalsContact OH-C 3.31Å; Y722-E749 VanDerWaalsContact OH-CA 3.27Å; Y722-E749 WeakPolarHBondContact OH-CA 3.33Å; G745-E749 WeakPolarHBondContact CA-OE2 3.47Å; G745-E749 PolarHBondContact N-OE1 2.96Å; G745-E749 PolarHBondContact N-OE2 2.9Å; S746-E749 WeakPolarHBondContact CB-OE1 3.45Å; S746-E749 VanDerWaalsContact N-CD 3.29Å; S746-E749 PolarHBondContact N-OE1 3.01Å; S746-E749 WeakPolarHBondContact O-CB 3.36Å; S746-E749 PolarHBondContact O-N 3.01Å; E749-N759 PolarHBondContact O-ND2 3.48Å
750	V	98.8	Very high	98.5	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.085	23%	0.227	C	C	.	.			trans	-88.5	2.8	-171.4	-62.6	0	0	0	0	115	Y722 T748 E756 G757 N759 I892 Y896	Y722-V750 PolarHBondContact OH-N 3.16Å; T748-V750 VanDerWaalsContact C-N 3.27Å; T748-V750 PolarHBondContact O-N 3.21Å; V750-E756 HydrophobicContact CG2-CG 4.05Å; V750-G757 PolarHBondContact O-N 2.67Å; V750-N759 PolarHBondContact O-N 3.23Å; V750-I892 HydrophobicContact CG1-CG2 3.47Å; V750-I892 VanDerWaalsContact CG1-CG2 3.47Å; V750-Y896 HydrophobicContact CB-CE2 4.13Å; V750-Y896 HydrophobicContact CG1-CE2 4.16Å; V750-Y896 HydrophobicContact CG2-CE2 4.2Å
751	G	98.7	Very high	98.5	Very high	10 Å²	10	34.4 Å²	34.4	10%	0.103	22%	0.224	C	C	.	.			trans	104.7	-167.1	-171.7	0	0	0	0	0	112.3	Y722	Y722-G751 VanDerWaalsContact CE1-C 3.42Å; Y722-G751 WeakPolarHBondContact CE1-O 3.44Å; Y722-G751 VanDerWaalsContact CE2-CA 3.46Å; Y722-G751 VanDerWaalsContact CE2-N 3.34Å; Y722-G751 VanDerWaalsContact CZ-N 3.3Å; Y722-G751 CarbonylContact O-C 3.26Å; Y722-G751 WeakPolarHBondContact O-CA 3.33Å; Y722-G751 PolarHBondContact OH-N 2.94Å; Y722-G751 PolarHBondContact OH-O 2.92Å
752	S	98.6	Very high	98.6	Very high	47 Å²	47	30.3 Å²	30.3	33%	0.329	21%	0.206	S	C	.	.			trans	-156.9	144.7	-175.7	63.6	0	0	0	0	113.1	Y722 S723 A754 G755	Y722-S752 WeakPolarHBondContact CD1-OG 3.45Å; Y722-S752 PolarHBondContact O-N 3.03Å; Y722-S752 PolarHBondContact O-OG 3.35Å; S723-S752 WeakPolarHBondContact CA-O 3.46Å; S723-S752 WeakPolarHBondContact CB-O 3.15Å; S752-A754 PolarHBondContact O-N 2.96Å; S752-A754 VanDerWaalsContact O-N 3.14Å; S752-G755 PolarHBondContact O-N 3.3Å
753	G	98.4	Very high	98.6	Very high	67 Å²	67	28.9 Å²	28.9	69%	0.691	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	60	-116.6	175.7	0	0	0	0	0	111.8	G755	G753-G755 VanDerWaalsContact C-N 3.33Å
754	A	98.3	Very high	98.7	Very high	71 Å²	71	27.4 Å²	27.4	59%	0.587	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-73.3	-23.3	177.6	0	0	0	0	0	113.5	P725 S752	P725-A754 VanDerWaalsContact CB-O 3.28Å; P725-A754 WeakPolarHBondContact CB-O 3.36Å; P725-A754 HydrophobicContact CG-CB 4.08Å; P725-A754 VanDerWaalsContact CG-O 3.28Å; P725-A754 WeakPolarHBondContact CG-O 3.44Å; S752-A754 PolarHBondContact O-N 2.96Å; S752-A754 VanDerWaalsContact O-N 3.14Å
755	G	98.6	Very high	98.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-92.9	10.2	-179	0	0	0	0	0	114.5	S752 G753 G757 F758	S752-G755 PolarHBondContact O-N 3.3Å; G753-G755 VanDerWaalsContact C-N 3.33Å; G755-G757 PolarHBondContact O-N 3.32Å; G755-F758 WeakPolarHBondContact O-CB 3.39Å; G755-F758 PolarHBondContact O-N 3.37Å
756	E	98.6	Very high	98.5	Very high	95 Å²	95	28.7 Å²	28.7	44%	0.444	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	128.5	177.4	-158.3	-173.7	135.9	0	0	110.8	V750 F758 Y896	V750-E756 HydrophobicContact CG2-CG 4.05Å; E756-F758 VanDerWaalsContact C-N 3.34Å; E756-F758 WeakPolarHBondContact O-CD2 3.32Å; E756-Y896 HydrophobicContact CB-CE1 4.46Å; E756-Y896 HydrophobicContact CG-CE1 3.76Å; E756-Y896 VanDerWaalsContact OE1-CE1 3.31Å; E756-Y896 WeakPolarHBondContact OE1-CE1 3.3Å; E756-Y896 PolarHBondContact OE1-OH 3.46Å
757	G	98.6	Very high	98.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-14.1	-169.9	0	0	0	0	0	114.7	V750 G755 Y896 W897	V750-G757 PolarHBondContact O-N 2.67Å; G755-G757 PolarHBondContact O-N 3.32Å; G757-Y896 VanDerWaalsContact CA-CG 3.47Å; G757-W897 PolarHBondContact O-NE1 2.96Å
758	F	98.9	Very high	98.2	Very high	53 Å²	53	30.2 Å²	30.2	23%	0.232	20%	0.204	C	C	.	.	S	Bend	trans	-93.1	6	-178.3	-64.3	-96.2	0	0	0	113.6	P725 L728 Y729 G755 E756 F792 W897	P725-F758 HydrophobicContact CB-CD1 4.17Å; P725-F758 HydrophobicContact CB-CD2 3.68Å; P725-F758 HydrophobicContact CB-CE1 4.11Å; P725-F758 HydrophobicContact CB-CE2 3.62Å; P725-F758 HydrophobicContact CB-CG 3.97Å; P725-F758 HydrophobicContact CB-CZ 3.84Å; P725-F758 WeakPolarHBondContact O-CD1 3.23Å; P725-F758 WeakPolarHBondContact O-CE1 3.33Å; L728-F758 WeakPolarHBondContact CA-O 3.49Å; L728-F758 WeakPolarHBondContact CD1-O 3.42Å; Y729-F758 PolarHBondContact N-O 3.36Å; G755-F758 WeakPolarHBondContact O-CB 3.39Å; G755-F758 PolarHBondContact O-N 3.37Å; E756-F758 VanDerWaalsContact C-N 3.34Å; E756-F758 WeakPolarHBondContact O-CD2 3.32Å; F758-F792 HydrophobicContact CD1-CD2 4.17Å; F758-F792 AromaticContact CD1-CE2 3.9Å; F758-F792 HydrophobicContact CD1-CE2 3.9Å; F758-F792 AromaticContact CE1-CD2 3.87Å; F758-F792 HydrophobicContact CE1-CD2 3.87Å; F758-F792 AromaticContact CE1-CE2 3.77Å; F758-F792 HydrophobicContact CE1-CE2 3.77Å; F758-W897 HydrophobicContact CD1-CH2 4.26Å; F758-W897 HydrophobicContact CD1-CZ2 4.16Å; F758-W897 AromaticContact CE1-CH2 3.91Å; F758-W897 HydrophobicContact CE1-CH2 3.91Å; F758-W897 HydrophobicContact CE1-CZ2 4.18Å; F758-W897 HydrophobicContact CZ-CH2 4.44Å
759	N	98.9	Very high	98	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.6	168	-159.3	85	0	0	0	109.9	Q718 Y722 Y729 E749 V750 N761 Q893	Q718-N759 WeakPolarHBondContact CG-OD1 3.39Å; Q718-N759 PolarHBondContact OE1-ND2 2.62Å; Y722-N759 HydrophobicContact CD2-CB 4.3Å; Y722-N759 HydrophobicContact CE2-CB 4.22Å; Y729-N759 WeakPolarHBondContact CD1-OD1 3.49Å; E749-N759 PolarHBondContact O-ND2 3.48Å; V750-N759 PolarHBondContact O-N 3.23Å; N759-N761 PolarHBondContact ND2-ND2 3.09Å; N759-Q893 PolarHBondContact O-NE2 2.99Å
760	V	98.9	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	97.7	-172.5	-174.6	0	0	0	0	110.8	L728 Y729 I730 S731 V784 I788 V889 Q893	L728-V760 HydrophobicContact CD1-CG2 3.94Å; Y729-V760 PolarHBondContact O-N 3.07Å; I730-V760 WeakPolarHBondContact CA-O 3.31Å; I730-V760 HydrophobicContact CB-CB 4.35Å; I730-V760 HydrophobicContact CG1-CB 4.06Å; I730-V760 HydrophobicContact CG1-CG2 4.33Å; I730-V760 HydrophobicContact CG2-CB 4.13Å; I730-V760 HydrophobicContact CG2-CG1 4.14Å; S731-V760 PolarHBondContact N-O 2.99Å; V760-V784 HydrophobicContact CG1-CG1 3.92Å; V760-I788 HydrophobicContact CG1-CD1 3.98Å; V760-I788 HydrophobicContact CG2-CD1 4.06Å; V760-I788 HydrophobicContact CG2-CG2 4.5Å; V760-V889 HydrophobicContact CG1-CG1 4.39Å; V760-Q893 HydrophobicContact CG1-CG 4.16Å
761	N	98.9	Very high	97.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	106.5	177.3	-71.9	-31.2	0	0	0	111.7	Q718 G745 S746 N759 A763 V889	Q718-N761 PolarHBondContact OE1-ND2 3.42Å; G745-N761 WeakPolarHBondContact CA-ND2 3.33Å; G745-N761 VanDerWaalsContact O-CB 3.23Å; G745-N761 WeakPolarHBondContact O-CB 3.23Å; S746-N761 WeakPolarHBondContact O-CB 3.47Å; S746-N761 PolarHBondContact O-ND2 3.07Å; S746-N761 VanDerWaalsContact O-ND2 3.15Å; N759-N761 PolarHBondContact ND2-ND2 3.09Å; N761-A763 PolarHBondContact O-N 2.65Å; N761-A763 VanDerWaalsContact O-N 3.07Å; N761-V889 VanDerWaalsContact O-CG2 3.32Å; N761-V889 WeakPolarHBondContact O-CG2 3.35Å
762	I	98.9	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.225	C	C	.	.			trans	-83.5	74.1	167.5	-59.3	163.4	0	0	0	107.2	I730 S731 L732 H733 W764 A780 V784 V785 L886 V889	I730-I762 HydrophobicContact CG2-CD1 3.95Å; S731-I762 WeakPolarHBondContact O-CA 2.96Å; S731-I762 VanDerWaalsContact O-CB 3.31Å; S731-I762 WeakPolarHBondContact O-CB 3.18Å; S731-I762 PolarHBondContact O-N 2.99Å; L732-I762 HydrophobicContact CD1-CD1 4.44Å; L732-I762 HydrophobicContact CD2-CD1 4.13Å; L732-I762 HydrophobicContact CG-CB 4.21Å; L732-I762 HydrophobicContact CG-CD1 3.9Å; L732-I762 HydrophobicContact CG-CG2 4.5Å; H733-I762 PolarHBondContact N-O 3.33Å; I762-W764 HydrophobicContact CG2-CD2 4.41Å; I762-W764 HydrophobicContact CG2-CH2 4.32Å; I762-W764 HydrophobicContact CG2-CZ2 4.11Å; I762-W764 PolarHBondContact O-N 2.85Å; I762-A780 HydrophobicContact CD1-CB 4.48Å; I762-A780 HydrophobicContact CG2-CB 4.26Å; I762-V784 HydrophobicContact CD1-CB 3.89Å; I762-V784 HydrophobicContact CD1-CG1 3.77Å; I762-V784 HydrophobicContact CG1-CB 4.4Å; I762-V784 HydrophobicContact CG1-CG1 4Å; I762-V785 HydrophobicContact CD1-CG2 3.54Å; I762-L886 HydrophobicContact CG2-CD2 3.74Å; I762-V889 HydrophobicContact CG1-CG1 4.19Å
763	A	98.7	Very high	97.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	21%	0.213	C	C	.	.			trans	-82.8	94.8	-172	0	0	0	0	0	110.8	Y735 G745 P747 N761 T765	Y735-A763 HydrophobicContact CD1-CB 4.07Å; Y735-A763 HydrophobicContact CD2-CB 4.42Å; Y735-A763 HydrophobicContact CG-CB 3.82Å; G745-A763 VanDerWaalsContact O-CB 3.25Å; G745-A763 WeakPolarHBondContact O-CB 3.43Å; P747-A763 HydrophobicContact CG-CB 3.69Å; N761-A763 PolarHBondContact O-N 2.65Å; N761-A763 VanDerWaalsContact O-N 3.07Å; A763-T765 PolarHBondContact O-N 2.73Å; A763-T765 PolarHBondContact O-OG1 3.12Å
764	W	98.8	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-65.6	122.8	-176.9	-64.2	122.7	0	0	0	111.4	H733 Y735 D736 I762 M772 E776 Y777 A780 Y816 A882 L886	H733-W764 WeakPolarHBondContact O-CB 3.13Å; H733-W764 VanDerWaalsContact O-CD1 3.24Å; H733-W764 PolarHBondContact O-N 2.93Å; Y735-W764 PolarHBondContact N-O 3.31Å; D736-W764 PolarHBondContact N-O 2.75Å; D736-W764 VanDerWaalsContact N-O 3.12Å; I762-W764 HydrophobicContact CG2-CD2 4.41Å; I762-W764 HydrophobicContact CG2-CH2 4.32Å; I762-W764 HydrophobicContact CG2-CZ2 4.11Å; I762-W764 PolarHBondContact O-N 2.85Å; W764-M772 HydrophobicContact CB-CE 3.98Å; W764-M772 HydrophobicContact CB-CG 4.31Å; W764-M772 HydrophobicContact CD2-CE 4.34Å; W764-M772 HydrophobicContact CD2-CG 4.19Å; W764-M772 HydrophobicContact CE3-CE 3.98Å; W764-M772 HydrophobicContact CE3-SD 4.43Å; W764-M772 HydrophobicContact CG-CE 4.4Å; W764-M772 HydrophobicContact CG-CG 4.13Å; W764-E776 HydrophobicContact CH2-CB 4.04Å; W764-E776 WeakPolarHBondContact CH2-O 3.22Å; W764-E776 HydrophobicContact CZ2-CB 4.34Å; W764-Y777 HydrophobicContact CZ2-CD2 4.28Å; W764-Y777 HydrophobicContact CZ2-CE2 4.37Å; W764-Y777 AromaticContact NE1-CE2 3.54Å; W764-Y777 AromaticContact NE1-CZ 3.55Å; W764-Y777 PolarHBondContact NE1-OH 3.44Å; W764-A780 HydrophobicContact CH2-CB 3.78Å; W764-A780 HydrophobicContact CZ2-CB 3.77Å; W764-Y816 HydrophobicContact CB-CE2 4.37Å; W764-Y816 WeakPolarHBondContact CB-OH 3.32Å; W764-Y816 AromaticContact CD1-CE2 3.79Å; W764-Y816 HydrophobicContact CG-CE2 4.27Å; W764-A882 HydrophobicContact CE3-CB 4.09Å; W764-A882 HydrophobicContact CH2-CB 4.17Å; W764-A882 HydrophobicContact CZ3-CB 3.48Å; W764-A882 VanDerWaalsContact CZ3-CB 3.48Å; W764-L886 HydrophobicContact CH2-CD1 3.98Å; W764-L886 HydrophobicContact CH2-CD2 4.14Å; W764-L886 HydrophobicContact CH2-CG 4.01Å; W764-L886 HydrophobicContact CZ3-CD1 4.12Å; W764-L886 HydrophobicContact CZ3-CD2 4.25Å; W764-L886 HydrophobicContact CZ3-CG 3.82Å
765	T	98.1	Very high	97.9	Very high	32 Å²	32	27.6 Å²	27.6	20%	0.196	16%	0.157	C	C	.	.			trans	-131.9	130	-173.9	-59.2	0	0	0	0	111.1	D737 A763 S885	D737-T765 WeakPolarHBondContact OD1-CG2 3.42Å; D737-T765 WeakPolarHBondContact OD2-CG2 3.09Å; A763-T765 PolarHBondContact O-N 2.73Å; A763-T765 PolarHBondContact O-OG1 3.12Å; T765-S885 PolarHBondContact N-OG 3.46Å; T765-S885 VanDerWaalsContact N-OG 3.1Å; T765-S885 PolarHBondContact O-OG 2.95Å
766	G	95.1	Very high	97.9	Very high	30 Å²	30	27.8 Å²	27.8	31%	0.309	16%	0.158	S	C	.	.	S	Bend	trans	138.5	11.7	178.6	0	0	0	0	0	114.6	D736 N881	D736-G766 PolarHBondContact OD1-N 2.65Å; G766-N881 PolarHBondContact O-ND2 3.1Å
767	G	95	Very high	97.9	Very high	20 Å²	20	23.2 Å²	23.2	21%	0.206	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-144.8	177.3	0	0	0	0	0	113.1	D736	D736-G767 WeakPolarHBondContact OD1-CA 3.36Å; D736-G767 PolarHBondContact OD1-N 3.3Å; D736-G767 WeakPolarHBondContact OD2-CA 3.34Å
768	L	97.1	Very high	97.9	Very high	50 Å²	50	23.5 Å²	23.5	26%	0.262	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	31.2	-178.1	-59	-178.5	0	0	0	111.4	P770 P771 A811 Y816	L768-P770 CarbonylContact C-O 3.5Å; L768-P770 CarbonylContact O-C 3.35Å; L768-P770 WeakPolarHBondContact O-CA 3.44Å; L768-P771 HydrophobicContact CB-CG 4.2Å; L768-P771 HydrophobicContact CD2-CB 4.16Å; L768-P771 WeakPolarHBondContact O-CD 3.42Å; L768-A811 HydrophobicContact CD1-CB 3.55Å; L768-Y816 HydrophobicContact CD2-CD1 3.69Å; L768-Y816 HydrophobicContact CD2-CE1 3.7Å
769	E	93.6	Very high	97.9	Very high	169 Å²	169	21.1 Å²	21.1	79%	0.79	13%	0.128	S	C	*	.	S	Bend	trans	-122.5	79.1	-175.9	-63.4	-166.5	171.1	0	0	113	N881	E769-N881 PolarHBondContact O-ND2 3.1Å
770	P	97	Very high	97.9	Very high	68 Å²	68	21 Å²	21	44%	0.442	13%	0.127	S	C	.	.	S	Bend	cis	-78.8	168.9	-11.1	36.1	-36	0	0	0	111.7	L768 N879	L768-P770 CarbonylContact C-O 3.5Å; L768-P770 CarbonylContact O-C 3.35Å; L768-P770 WeakPolarHBondContact O-CA 3.44Å; P770-N879 HydrophobicContact CG-CB 3.67Å
771	P	97.9	Very high	97.9	Very high	32 Å²	32	21 Å²	21	21%	0.208	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-62.8	150.2	169.2	-15.7	30.2	0	0	0	110.9	L768 G815 Y816 K817	L768-P771 HydrophobicContact CB-CG 4.2Å; L768-P771 HydrophobicContact CD2-CB 4.16Å; L768-P771 WeakPolarHBondContact O-CD 3.42Å; P771-G815 WeakPolarHBondContact CB-O 3.28Å; P771-Y816 HydrophobicContact CB-CD1 4.29Å; P771-K817 HydrophobicContact CB-CD 4.31Å; P771-K817 HydrophobicContact CB-CG 4.42Å; P771-K817 HydrophobicContact CG-CD 4.16Å
772	M	98.7	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-69	146.7	170.9	-48.4	-51.5	-175.5	0	0	110.4	W764 E776 Y777 Y816 K817 N879 N881 A882	W764-M772 HydrophobicContact CB-CE 3.98Å; W764-M772 HydrophobicContact CB-CG 4.31Å; W764-M772 HydrophobicContact CD2-CE 4.34Å; W764-M772 HydrophobicContact CD2-CG 4.19Å; W764-M772 HydrophobicContact CE3-CE 3.98Å; W764-M772 HydrophobicContact CE3-SD 4.43Å; W764-M772 HydrophobicContact CG-CE 4.4Å; W764-M772 HydrophobicContact CG-CG 4.13Å; M772-E776 HydrophobicContact CB-CB 4.13Å; M772-E776 HydrophobicContact CB-CG 4.3Å; M772-E776 HydrophobicContact SD-CB 4.45Å; M772-E776 HydrophobicContact SD-CG 3.93Å; M772-Y777 HydrophobicContact CB-CE2 4.32Å; M772-Y816 HydrophobicContact CB-CD1 4.11Å; M772-Y816 HydrophobicContact CB-CD2 3.88Å; M772-Y816 HydrophobicContact CB-CE1 4.07Å; M772-Y816 HydrophobicContact CB-CE2 3.85Å; M772-Y816 HydrophobicContact CB-CG 4.02Å; M772-Y816 HydrophobicContact CG-CD1 4.29Å; M772-Y816 HydrophobicContact CG-CD2 4.3Å; M772-Y816 HydrophobicContact CG-CE1 3.74Å; M772-Y816 HydrophobicContact CG-CE2 3.75Å; M772-Y816 VanDerWaalsContact CG-CZ 3.44Å; M772-Y816 WeakPolarHBondContact O-CB 3.15Å; M772-K817 PolarHBondContact O-N 3.06Å; M772-N879 PolarHBondContact SD-ND2 3.03Å; M772-N881 HydrophobicContact CE-CB 3.99Å; M772-A882 HydrophobicContact CE-CB 4.24Å; M772-A882 HydrophobicContact SD-CB 3.83Å
773	G	98.4	Very high	97.7	Very high	6 Å²	6	22.3 Å²	22.3	6%	0.062	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-147.5	-150.2	172.9	0	0	0	0	0	111.8	A775 E776 Y777 K817	G773-A775 PolarHBondContact O-N 3.36Å; G773-E776 PolarHBondContact N-OE2 3.44Å; G773-E776 PolarHBondContact O-N 3.17Å; G773-Y777 PolarHBondContact O-N 3.34Å; G773-Y777 VanDerWaalsContact O-N 3.08Å; G773-K817 WeakPolarHBondContact CA-O 3.26Å
774	D	98.6	Very high	97.7	Very high	14 Å²	14	22.2 Å²	22.2	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-57.1	-45.9	-172.1	-69.1	7.7	0	0	0	113.3	E776 Y777 L778 V818 S819 C822 M869 V873	D774-E776 VanDerWaalsContact C-N 3.25Å; D774-E776 PolarHBondContact O-N 2.78Å; D774-Y777 PolarHBondContact O-N 3.14Å; D774-L778 WeakPolarHBondContact O-CB 3.29Å; D774-L778 WeakPolarHBondContact O-CG 3.08Å; D774-L778 PolarHBondContact O-N 3.24Å; D774-V818 WeakPolarHBondContact OD1-CA 3.47Å; D774-S819 PolarHBondContact OD1-N 3.15Å; D774-S819 PolarHBondContact OD1-OG 3.42Å; D774-S819 VanDerWaalsContact OD2-CB 3.29Å; D774-S819 WeakPolarHBondContact OD2-CB 3.36Å; D774-S819 PolarHBondContact OD2-OG 3.17Å; D774-C822 HydrophobicContact CB-CB 4.23Å; D774-C822 VanDerWaalsContact CG-CB 3.46Å; D774-C822 VanDerWaalsContact OD1-CB 3.23Å; D774-C822 WeakPolarHBondContact OD1-CB 3.5Å; D774-M869 HydrophobicContact CB-CE 4.24Å; D774-M869 VanDerWaalsContact OD2-CE 3.31Å; D774-M869 WeakPolarHBondContact OD2-CE 3.48Å; D774-V873 HydrophobicContact CB-CG1 3.37Å
775	A	98.4	Very high	97.7	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-34.4	-177.5	0	0	0	0	0	112.4	G773 A779 Q876	G773-A775 PolarHBondContact O-N 3.36Å; A775-A779 VanDerWaalsContact O-CB 3.27Å; A775-A779 WeakPolarHBondContact O-CB 3.47Å; A775-A779 PolarHBondContact O-N 3.25Å; A775-Q876 HydrophobicContact CB-CB 4Å; A775-Q876 HydrophobicContact CB-CG 3.68Å
776	E	98.8	Very high	97.8	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.023	13%	0.125	C	C	.	.	H	α-helix	trans	-73.5	-47.4	176.9	-66.8	74.1	-160.8	0	0	112.3	W764 M772 G773 D774 A779 A780 P878 N879 A882	W764-E776 HydrophobicContact CH2-CB 4.04Å; W764-E776 WeakPolarHBondContact CH2-O 3.22Å; W764-E776 HydrophobicContact CZ2-CB 4.34Å; M772-E776 HydrophobicContact CB-CB 4.13Å; M772-E776 HydrophobicContact CB-CG 4.3Å; M772-E776 HydrophobicContact SD-CB 4.45Å; M772-E776 HydrophobicContact SD-CG 3.93Å; G773-E776 PolarHBondContact N-OE2 3.44Å; G773-E776 PolarHBondContact O-N 3.17Å; D774-E776 VanDerWaalsContact C-N 3.25Å; D774-E776 PolarHBondContact O-N 2.78Å; E776-A779 PolarHBondContact O-N 3.39Å; E776-A780 PolarHBondContact O-N 3.25Å; E776-P878 HydrophobicContact CG-CB 4.13Å; E776-P878 WeakPolarHBondContact OE1-CA 3.5Å; E776-N879 VanDerWaalsContact CD-ND2 3.28Å; E776-N879 VanDerWaalsContact CG-ND2 3.33Å; E776-N879 WeakPolarHBondContact CG-ND2 3.35Å; E776-N879 WeakPolarHBondContact OE1-CB 3.49Å; E776-N879 PolarHBondContact OE1-N 3.5Å; E776-N879 PolarHBondContact OE1-ND2 3.45Å; E776-A882 HydrophobicContact CB-CB 3.88Å; E776-A882 HydrophobicContact CG-CB 3.29Å
777	Y	98.8	Very high	97.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.9	-37.5	177.3	-85.5	-107.8	0	0	0	111.8	L732 W764 M772 G773 D774 A780 F781 Y816 V818 L826	L732-Y777 HydrophobicContact CB-CE1 3.85Å; L732-Y777 HydrophobicContact CD2-CD1 4.06Å; L732-Y777 HydrophobicContact CD2-CE1 4.23Å; L732-Y777 PolarHBondContact O-OH 3Å; W764-Y777 HydrophobicContact CZ2-CD2 4.28Å; W764-Y777 HydrophobicContact CZ2-CE2 4.37Å; W764-Y777 AromaticContact NE1-CE2 3.54Å; W764-Y777 AromaticContact NE1-CZ 3.55Å; W764-Y777 PolarHBondContact NE1-OH 3.44Å; M772-Y777 HydrophobicContact CB-CE2 4.32Å; G773-Y777 PolarHBondContact O-N 3.34Å; G773-Y777 VanDerWaalsContact O-N 3.08Å; D774-Y777 PolarHBondContact O-N 3.14Å; Y777-A780 PolarHBondContact O-N 3.01Å; Y777-F781 WeakPolarHBondContact O-CD2 3.27Å; Y777-F781 PolarHBondContact O-N 2.98Å; Y777-Y816 HydrophobicContact CE2-CD2 4.16Å; Y777-Y816 HydrophobicContact CE2-CE2 4.49Å; Y777-V818 HydrophobicContact CD2-CG2 3.54Å; Y777-V818 HydrophobicContact CE2-CG2 3.63Å; Y777-V818 HydrophobicContact CG-CG2 4.03Å; Y777-L826 HydrophobicContact CD1-CD1 4.08Å
778	L	98.4	Very high	98.1	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-40.5	171.3	-71.5	173	0	0	0	112.1	D774 R782 F825 M869 V873 L874 Y911	D774-L778 WeakPolarHBondContact O-CB 3.29Å; D774-L778 WeakPolarHBondContact O-CG 3.08Å; D774-L778 PolarHBondContact O-N 3.24Å; L778-R782 VanDerWaalsContact O-CB 3.28Å; L778-R782 WeakPolarHBondContact O-CB 3.12Å; L778-R782 PolarHBondContact O-N 3.16Å; L778-F825 HydrophobicContact CD2-CD1 3.29Å; L778-F825 HydrophobicContact CD2-CE1 3.38Å; L778-F825 HydrophobicContact CD2-CG 3.96Å; L778-F825 HydrophobicContact CD2-CZ 4.11Å; L778-M869 HydrophobicContact CD1-CE 4.34Å; L778-V873 HydrophobicContact CD1-CG1 4.12Å; L778-L874 HydrophobicContact CD1-CD2 4.06Å; L778-Y911 HydrophobicContact CB-CD2 4.34Å; L778-Y911 HydrophobicContact CD2-CD2 4.46Å
779	A	98.4	Very high	98.2	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.025	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-45.9	174.8	0	0	0	0	0	111.6	A775 E776 F781 R782 S783 P878 L886	A775-A779 VanDerWaalsContact O-CB 3.27Å; A775-A779 WeakPolarHBondContact O-CB 3.47Å; A775-A779 PolarHBondContact O-N 3.25Å; E776-A779 PolarHBondContact O-N 3.39Å; A779-F781 VanDerWaalsContact C-N 3.34Å; A779-F781 PolarHBondContact O-N 3.43Å; A779-R782 PolarHBondContact O-N 3.41Å; A779-R782 VanDerWaalsContact O-N 3.16Å; A779-S783 PolarHBondContact O-N 3.4Å; A779-S783 PolarHBondContact O-OG 3Å; A779-S783 VanDerWaalsContact O-OG 3.05Å; A779-P878 HydrophobicContact CB-CB 3.91Å; A779-P878 HydrophobicContact CB-CG 3.76Å; A779-L886 HydrophobicContact CB-CD1 4.02Å
780	A	98.8	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.6	-45.4	176.4	0	0	0	0	0	112.4	L732 I762 W764 E776 Y777 R782 V784 V785 L886	L732-A780 HydrophobicContact CD2-CB 3.72Å; I762-A780 HydrophobicContact CD1-CB 4.48Å; I762-A780 HydrophobicContact CG2-CB 4.26Å; W764-A780 HydrophobicContact CH2-CB 3.78Å; W764-A780 HydrophobicContact CZ2-CB 3.77Å; E776-A780 PolarHBondContact O-N 3.25Å; Y777-A780 PolarHBondContact O-N 3.01Å; A780-R782 VanDerWaalsContact C-N 3.34Å; A780-R782 PolarHBondContact O-N 3.21Å; A780-V784 PolarHBondContact O-N 3.02Å; A780-V785 PolarHBondContact O-N 3.07Å; A780-L886 HydrophobicContact CB-CD1 4.34Å; A780-L886 HydrophobicContact CB-CD2 3.78Å
781	F	98.8	Very high	98.5	Very high	2 Å²	2	15 Å²	15	1%	0.009	8%	0.076	C	C	.	.	I	π-helix	trans	-64.3	-40	176.7	-94.3	-114.3	0	0	0	112.4	V707 W709 L732 Y777 A779 V785 M786 L826 Q829 L830	V707-F781 HydrophobicContact CG1-CZ 4.21Å; W709-F781 HydrophobicContact CE3-CZ 4.36Å; L732-F781 HydrophobicContact CD1-CE2 3.99Å; L732-F781 HydrophobicContact CD2-CD2 3.9Å; L732-F781 HydrophobicContact CD2-CE2 3.72Å; Y777-F781 WeakPolarHBondContact O-CD2 3.27Å; Y777-F781 PolarHBondContact O-N 2.98Å; A779-F781 VanDerWaalsContact C-N 3.34Å; A779-F781 PolarHBondContact O-N 3.43Å; F781-V785 HydrophobicContact CD1-CB 4.26Å; F781-V785 HydrophobicContact CD1-CG1 4.35Å; F781-V785 HydrophobicContact CD2-CB 4.21Å; F781-V785 HydrophobicContact CD2-CG2 3.74Å; F781-V785 HydrophobicContact CE1-CG1 4.16Å; F781-V785 HydrophobicContact CE2-CB 4.46Å; F781-V785 HydrophobicContact CE2-CG1 4.45Å; F781-V785 HydrophobicContact CE2-CG2 3.95Å; F781-V785 HydrophobicContact CG-CB 4.1Å; F781-V785 HydrophobicContact CG-CG2 4.12Å; F781-V785 HydrophobicContact CZ-CG1 4.21Å; F781-M786 HydrophobicContact CD1-CG 4.18Å; F781-M786 HydrophobicContact CD1-SD 4.26Å; F781-M786 VanDerWaalsContact O-CB 3.24Å; F781-M786 WeakPolarHBondContact O-CB 3.49Å; F781-M786 WeakPolarHBondContact O-CG 3.5Å; F781-M786 PolarHBondContact O-N 3.32Å; F781-L826 HydrophobicContact CB-CD2 4.26Å; F781-L826 HydrophobicContact CD1-CD2 3.88Å; F781-L826 HydrophobicContact CD2-CD1 4.29Å; F781-L826 HydrophobicContact CD2-CD2 3.62Å; F781-L826 HydrophobicContact CD2-CG 4.47Å; F781-L826 HydrophobicContact CE1-CB 4Å; F781-L826 HydrophobicContact CE1-CD2 4.07Å; F781-L826 HydrophobicContact CE1-CG 4.46Å; F781-L826 HydrophobicContact CE2-CB 4.45Å; F781-L826 HydrophobicContact CE2-CD1 3.77Å; F781-L826 HydrophobicContact CE2-CD2 3.85Å; F781-L826 HydrophobicContact CE2-CG 4.21Å; F781-L826 HydrophobicContact CG-CD2 3.64Å; F781-L826 HydrophobicContact CZ-CB 3.94Å; F781-L826 HydrophobicContact CZ-CD1 4.03Å; F781-L826 HydrophobicContact CZ-CD2 4.06Å; F781-L826 HydrophobicContact CZ-CG 4.2Å; F781-Q829 HydrophobicContact CD1-CB 4.21Å; F781-L830 HydrophobicContact CE1-CD1 4.33Å; F781-L830 HydrophobicContact CE1-CD2 3.94Å; F781-L830 HydrophobicContact CE1-CG 3.96Å
782	R	97.4	Very high	98.5	Very high	27 Å²	27	14 Å²	14	10%	0.102	7%	0.068	C	C	.	.	I	π-helix	trans	-69.4	-40.9	178.8	-177.5	178.2	59.2	73.4	-3.8	113.4	L778 A779 A780 P787 S906 V907 R909 A914	L778-R782 VanDerWaalsContact O-CB 3.28Å; L778-R782 WeakPolarHBondContact O-CB 3.12Å; L778-R782 PolarHBondContact O-N 3.16Å; A779-R782 PolarHBondContact O-N 3.41Å; A779-R782 VanDerWaalsContact O-N 3.16Å; A780-R782 VanDerWaalsContact C-N 3.34Å; A780-R782 PolarHBondContact O-N 3.21Å; R782-P787 WeakPolarHBondContact O-CD 3.41Å; R782-P787 VanDerWaalsContact O-CG 3.27Å; R782-P787 WeakPolarHBondContact O-CG 3.41Å; R782-S906 PolarHBondContact NH1-O 3.45Å; R782-S906 PolarHBondContact NH1-OG 3.23Å; R782-S906 PolarHBondContact NH2-O 3.34Å; R782-V907 PolarHBondContact NH2-O 3.32Å; R782-R909 PolarHBondContact NH2-O 2.71Å; R782-A914 VanDerWaalsContact CD-CB 3.5Å; R782-A914 VanDerWaalsContact CZ-CB 3.43Å
783	S	97.8	Very high	98.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-102	-14.8	-171.5	67.8	0	0	0	0	115.6	A779	A779-S783 PolarHBondContact O-N 3.4Å; A779-S783 PolarHBondContact O-OG 3Å; A779-S783 VanDerWaalsContact O-OG 3.05Å
784	V	98.8	Very high	98.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-131.3	-62.5	-179	-173	0	0	0	0	112.1	V760 I762 A780 P787 I788 L886 V889 I890	V760-V784 HydrophobicContact CG1-CG1 3.92Å; I762-V784 HydrophobicContact CD1-CB 3.89Å; I762-V784 HydrophobicContact CD1-CG1 3.77Å; I762-V784 HydrophobicContact CG1-CB 4.4Å; I762-V784 HydrophobicContact CG1-CG1 4Å; A780-V784 PolarHBondContact O-N 3.02Å; V784-P787 WeakPolarHBondContact O-CD 3.35Å; V784-I788 HydrophobicContact CG1-CD1 3.76Å; V784-I788 WeakPolarHBondContact O-CB 3.17Å; V784-I788 WeakPolarHBondContact O-CG1 3.35Å; V784-I788 PolarHBondContact O-N 3.23Å; V784-I788 VanDerWaalsContact O-N 3.11Å; V784-L886 HydrophobicContact CG2-CD2 3.87Å; V784-V889 HydrophobicContact CG1-CG1 3.96Å; V784-V889 HydrophobicContact CG2-CG1 4.28Å; V784-I890 HydrophobicContact CG2-CD1 4.18Å; V784-I890 HydrophobicContact CG2-CG1 3.77Å
785	V	98.9	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-62.7	-54.4	-168.1	-168.6	0	0	0	0	111.9	V707 I730 L732 I762 A780 F781 A789	V707-V785 HydrophobicContact CG1-CG1 4.48Å; V707-V785 HydrophobicContact CG2-CG1 4.29Å; I730-V785 HydrophobicContact CD1-CG1 4.08Å; I730-V785 HydrophobicContact CG2-CG1 4.35Å; I730-V785 HydrophobicContact CG2-CG2 4.2Å; L732-V785 HydrophobicContact CD1-CG2 4.02Å; L732-V785 HydrophobicContact CD2-CG2 4.06Å; L732-V785 HydrophobicContact CG-CG2 4.39Å; I762-V785 HydrophobicContact CD1-CG2 3.54Å; A780-V785 PolarHBondContact O-N 3.07Å; F781-V785 HydrophobicContact CD1-CB 4.26Å; F781-V785 HydrophobicContact CD1-CG1 4.35Å; F781-V785 HydrophobicContact CD2-CB 4.21Å; F781-V785 HydrophobicContact CD2-CG2 3.74Å; F781-V785 HydrophobicContact CE1-CG1 4.16Å; F781-V785 HydrophobicContact CE2-CB 4.46Å; F781-V785 HydrophobicContact CE2-CG1 4.45Å; F781-V785 HydrophobicContact CE2-CG2 3.95Å; F781-V785 HydrophobicContact CG-CB 4.1Å; F781-V785 HydrophobicContact CG-CG2 4.12Å; F781-V785 HydrophobicContact CZ-CG1 4.21Å; V785-A789 WeakPolarHBondContact O-CB 3.43Å; V785-A789 PolarHBondContact O-N 3.32Å
786	M	98.7	Very high	98.6	Very high	9 Å²	9	18.9 Å²	18.9	4%	0.044	10%	0.099	C	C	.	.	H	α-helix	trans	-70.2	-42.5	-177.3	-63.4	-58.2	-60.1	0	0	113.2	F781 A789 Q790 Q829 L830 S832 L833	F781-M786 HydrophobicContact CD1-CG 4.18Å; F781-M786 HydrophobicContact CD1-SD 4.26Å; F781-M786 VanDerWaalsContact O-CB 3.24Å; F781-M786 WeakPolarHBondContact O-CB 3.49Å; F781-M786 WeakPolarHBondContact O-CG 3.5Å; F781-M786 PolarHBondContact O-N 3.32Å; M786-A789 PolarHBondContact O-N 3.01Å; M786-Q790 VanDerWaalsContact O-CB 3.3Å; M786-Q790 WeakPolarHBondContact O-CB 3.42Å; M786-Q790 WeakPolarHBondContact O-CG 3.32Å; M786-Q790 PolarHBondContact O-N 3Å; M786-Q829 HydrophobicContact CE-CB 4.43Å; M786-Q829 VanDerWaalsContact CE-O 3.27Å; M786-Q829 WeakPolarHBondContact CE-O 3.44Å; M786-Q829 HydrophobicContact CG-CB 4.4Å; M786-Q829 HydrophobicContact SD-CB 3.92Å; M786-L830 HydrophobicContact SD-CD2 4.05Å; M786-S832 WeakPolarHBondContact CE-OG 3.17Å; M786-L833 HydrophobicContact CE-CD1 4.14Å; M786-L833 HydrophobicContact CE-CD2 4.01Å; M786-L833 HydrophobicContact CE-CG 3.99Å; M786-L833 HydrophobicContact SD-CD1 4.35Å
787	P	98.3	Very high	98.6	Very high	8 Å²	8	18.7 Å²	18.7	5%	0.052	10%	0.097	C	C	.	.	H	α-helix	trans	-54.1	-52.6	173.3	-29.3	36.7	0	0	0	113.2	R782 V784 Q790 E791 S899 V900	R782-P787 WeakPolarHBondContact O-CD 3.41Å; R782-P787 VanDerWaalsContact O-CG 3.27Å; R782-P787 WeakPolarHBondContact O-CG 3.41Å; V784-P787 WeakPolarHBondContact O-CD 3.35Å; P787-Q790 PolarHBondContact O-N 3.44Å; P787-E791 PolarHBondContact O-N 3.32Å; P787-S899 VanDerWaalsContact C-OG 3.23Å; P787-S899 PolarHBondContact O-OG 2.97Å; P787-V900 HydrophobicContact CB-CG1 4.38Å
788	I	98.8	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65	-44.9	179.5	-63.9	178.7	0	0	0	110.8	L728 I730 V760 V784 Q790 E791 F792 Q893 W897 V900	L728-I788 HydrophobicContact CD1-CG2 4.27Å; L728-I788 HydrophobicContact CD2-CG2 3.81Å; I730-I788 HydrophobicContact CD1-CB 4.5Å; I730-I788 HydrophobicContact CD1-CG2 4.33Å; V760-I788 HydrophobicContact CG1-CD1 3.98Å; V760-I788 HydrophobicContact CG2-CD1 4.06Å; V760-I788 HydrophobicContact CG2-CG2 4.5Å; V784-I788 HydrophobicContact CG1-CD1 3.76Å; V784-I788 WeakPolarHBondContact O-CB 3.17Å; V784-I788 WeakPolarHBondContact O-CG1 3.35Å; V784-I788 PolarHBondContact O-N 3.23Å; V784-I788 VanDerWaalsContact O-N 3.11Å; I788-Q790 VanDerWaalsContact C-N 3.28Å; I788-Q790 PolarHBondContact O-N 3.04Å; I788-E791 PolarHBondContact O-N 3.34Å; I788-F792 WeakPolarHBondContact O-CB 3.36Å; I788-F792 PolarHBondContact O-N 3.45Å; I788-Q893 HydrophobicContact CD1-CB 4.34Å; I788-W897 HydrophobicContact CB-CD2 4.49Å; I788-W897 HydrophobicContact CD1-CG 4.19Å; I788-W897 HydrophobicContact CG1-CB 4.13Å; I788-W897 HydrophobicContact CG1-CD2 4.37Å; I788-W897 HydrophobicContact CG1-CG 3.92Å; I788-W897 HydrophobicContact CG2-CD2 3.69Å; I788-W897 HydrophobicContact CG2-CE3 4.07Å; I788-W897 HydrophobicContact CG2-CG 4.09Å; I788-W897 HydrophobicContact CG2-CH2 4.37Å; I788-W897 HydrophobicContact CG2-CZ2 4.01Å; I788-W897 HydrophobicContact CG2-CZ3 4.39Å; I788-V900 HydrophobicContact CD1-CG1 3.84Å; I788-V900 HydrophobicContact CG1-CG1 3.53Å
789	A	98.8	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.3	-30.8	179.7	0	0	0	0	0	113.5	L705 V785 M786 S793 P794 L833	L705-A789 HydrophobicContact CD2-CB 3.66Å; V785-A789 WeakPolarHBondContact O-CB 3.43Å; V785-A789 PolarHBondContact O-N 3.32Å; M786-A789 PolarHBondContact O-N 3.01Å; A789-S793 PolarHBondContact O-N 2.96Å; A789-P794 WeakPolarHBondContact O-CD 3.5Å; A789-L833 HydrophobicContact CB-CD1 3.65Å; A789-L833 HydrophobicContact CB-CD2 4.33Å
790	Q	98.6	Very high	98.7	Very high	118 Å²	118	18.5 Å²	18.5	55%	0.551	10%	0.096	S	C	*	.	H	α-helix	trans	-74.4	-40.4	174	-73.5	171.4	-1.6	0	0	111.9	M786 P787 I788 S793 L833	M786-Q790 VanDerWaalsContact O-CB 3.3Å; M786-Q790 WeakPolarHBondContact O-CB 3.42Å; M786-Q790 WeakPolarHBondContact O-CG 3.32Å; M786-Q790 PolarHBondContact O-N 3Å; P787-Q790 PolarHBondContact O-N 3.44Å; I788-Q790 VanDerWaalsContact C-N 3.28Å; I788-Q790 PolarHBondContact O-N 3.04Å; Q790-S793 PolarHBondContact O-N 2.88Å; Q790-L833 HydrophobicContact CG-CD2 3.92Å
791	E	98.6	Very high	98.7	Very high	82 Å²	82	18.5 Å²	18.5	38%	0.383	10%	0.096	S	C	.	.	H	α-helix	trans	-65.9	-41.4	175	-167.5	170.8	-177.8	0	0	111.4	P787 I788 W897 Q898 S899	P787-E791 PolarHBondContact O-N 3.32Å; I788-E791 PolarHBondContact O-N 3.34Å; E791-W897 HydrophobicContact CB-CE3 3.98Å; E791-W897 HydrophobicContact CB-CZ3 4.25Å; E791-W897 HydrophobicContact CG-CE3 3.84Å; E791-W897 HydrophobicContact CG-CZ3 4.18Å; E791-Q898 PolarHBondContact OE1-N 3.37Å; E791-Q898 PolarHBondContact OE2-N 2.96Å; E791-Q898 VanDerWaalsContact OE2-N 3.12Å; E791-S899 WeakPolarHBondContact OE2-CB 3.43Å; E791-S899 PolarHBondContact OE2-N 3.39Å; E791-S899 PolarHBondContact OE2-OG 3.05Å
792	F	98.8	Very high	98.7	Very high	10 Å²	10	18.4 Å²	18.4	4%	0.044	10%	0.096	C	C	.	.	H	α-helix	trans	-67.4	-36.7	172.5	-179.1	-114.8	0	0	0	112.8	K703 I704 L705 L728 F758 I788 P794 W897	K703-F792 HydrophobicContact CB-CE1 3.89Å; K703-F792 HydrophobicContact CB-CE2 4.27Å; K703-F792 HydrophobicContact CB-CZ 3.66Å; K703-F792 HydrophobicContact CD-CD2 4.39Å; K703-F792 HydrophobicContact CD-CE2 4.12Å; K703-F792 HydrophobicContact CD-CZ 4.34Å; K703-F792 WeakPolarHBondContact CD-O 3.24Å; K703-F792 WeakPolarHBondContact CE-O 3.25Å; K703-F792 HydrophobicContact CG-CE2 4.12Å; K703-F792 HydrophobicContact CG-CZ 3.99Å; K703-F792 PolarHBondContact NZ-O 3.4Å; I704-F792 WeakPolarHBondContact O-CE1 3.44Å; L705-F792 HydrophobicContact CB-CE1 4.45Å; L728-F792 HydrophobicContact CB-CD1 3.77Å; L728-F792 HydrophobicContact CB-CD2 4.18Å; L728-F792 HydrophobicContact CB-CE1 3.59Å; L728-F792 HydrophobicContact CB-CE2 4.02Å; L728-F792 HydrophobicContact CB-CG 4.05Å; L728-F792 HydrophobicContact CB-CZ 3.71Å; L728-F792 HydrophobicContact CD2-CB 3.56Å; L728-F792 HydrophobicContact CD2-CD1 3.61Å; L728-F792 HydrophobicContact CD2-CD2 4.24Å; L728-F792 HydrophobicContact CD2-CE1 4.31Å; L728-F792 HydrophobicContact CD2-CG 3.55Å; L728-F792 HydrophobicContact CG-CD1 4.35Å; L728-F792 HydrophobicContact CG-CG 4.47Å; F758-F792 HydrophobicContact CD1-CD2 4.17Å; F758-F792 AromaticContact CD1-CE2 3.9Å; F758-F792 HydrophobicContact CD1-CE2 3.9Å; F758-F792 AromaticContact CE1-CD2 3.87Å; F758-F792 HydrophobicContact CE1-CD2 3.87Å; F758-F792 AromaticContact CE1-CE2 3.77Å; F758-F792 HydrophobicContact CE1-CE2 3.77Å; I788-F792 WeakPolarHBondContact O-CB 3.36Å; I788-F792 PolarHBondContact O-N 3.45Å; F792-P794 HydrophobicContact CD1-CB 3.96Å; F792-P794 HydrophobicContact CD1-CG 4.46Å; F792-P794 HydrophobicContact CE1-CB 3.97Å; F792-W897 HydrophobicContact CB-CH2 3.93Å; F792-W897 HydrophobicContact CB-CZ3 4.02Å; F792-W897 HydrophobicContact CD2-CH2 4.06Å; F792-W897 HydrophobicContact CG-CH2 4.42Å
793	S	98.6	Very high	98.7	Very high	70 Å²	70	17.1 Å²	17.1	49%	0.49	9%	0.091	S	C	.	.			trans	55.2	69.5	175.4	-166.4	0	0	0	0	113.4	K703 A789 Q790	K703-S793 WeakPolarHBondContact CE-O 3.3Å; K703-S793 PolarHBondContact NZ-O 2.97Å; A789-S793 PolarHBondContact O-N 2.96Å; Q790-S793 PolarHBondContact O-N 2.88Å
794	P	98.8	Very high	98.7	Very high	7 Å²	7	17.1 Å²	17.1	5%	0.045	9%	0.091	C	C	.	.			trans	-72.3	151.9	-170.7	29.3	-36.9	0	0	0	114.4	L705 A789 F792 V797 L833 A834	L705-P794 HydrophobicContact CB-CB 3.7Å; L705-P794 HydrophobicContact CB-CG 3.8Å; L705-P794 HydrophobicContact CD2-CG 4.18Å; A789-P794 WeakPolarHBondContact O-CD 3.5Å; F792-P794 HydrophobicContact CD1-CB 3.96Å; F792-P794 HydrophobicContact CD1-CG 4.46Å; F792-P794 HydrophobicContact CE1-CB 3.97Å; P794-V797 HydrophobicContact CG-CG2 3.89Å; P794-L833 HydrophobicContact CG-CB 4.27Å; P794-A834 VanDerWaalsContact O-CA 3.31Å; P794-A834 WeakPolarHBondContact O-CA 3.37Å; P794-A834 WeakPolarHBondContact O-CB 3.48Å
795	D	98.8	Very high	98.7	Very high	48 Å²	48	17.1 Å²	17.1	26%	0.257	9%	0.091	S	C	.	.	S	Bend	trans	-80.7	-30.9	173.7	-62.9	-50.4	0	0	0	112.5	V701 S702 K703 R837	V701-D795 HydrophobicContact CG1-CB 3.71Å; S702-D795 WeakPolarHBondContact CB-OD2 3.14Å; S702-D795 PolarHBondContact N-OD2 3.41Å; S702-D795 PolarHBondContact OG-OD2 3.29Å; K703-D795 PolarHBondContact N-OD2 3.44Å; K703-D795 WeakPolarHBondContact O-CB 3.41Å; K703-D795 PolarHBondContact O-N 2.98Å; D795-R837 VanDerWaalsContact O-CZ 3.22Å; D795-R837 PolarHBondContact O-NE 2.94Å; D795-R837 PolarHBondContact O-NH2 3.03Å
796	V	98.9	Very high	98.7	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.018	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.2	176.3	177.8	0	0	0	0	108.6	A656 L695 V701 L705 L798 I839	A656-V796 HydrophobicContact CB-CG2 4.18Å; L695-V796 HydrophobicContact CD1-CB 4.49Å; L695-V796 HydrophobicContact CD1-CG1 4.03Å; V701-V796 HydrophobicContact CG1-CB 4.42Å; V701-V796 HydrophobicContact CG1-CG2 3.98Å; L705-V796 PolarHBondContact N-O 3.18Å; V796-L798 HydrophobicContact CG1-CD2 4.1Å; V796-I839 HydrophobicContact CG1-CD1 3.75Å
797	V	98.9	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.4	170.8	-173.3	0	0	0	0	110	L705 P794 V799 L833 A834 R837 L838 I839	L705-V797 HydrophobicContact CB-CG1 4.37Å; L705-V797 HydrophobicContact CB-CG2 4.27Å; L705-V797 HydrophobicContact CD2-CG1 3.95Å; L705-V797 HydrophobicContact CD2-CG2 4.09Å; L705-V797 HydrophobicContact CG-CG1 4.11Å; L705-V797 WeakPolarHBondContact O-CA 3.42Å; P794-V797 HydrophobicContact CG-CG2 3.89Å; V797-V799 HydrophobicContact CG1-CG2 4.37Å; V797-L833 HydrophobicContact CG2-CB 3.88Å; V797-L833 HydrophobicContact CG2-CD1 4.3Å; V797-A834 HydrophobicContact CG2-CB 3.95Å; V797-R837 PolarHBondContact N-O 3.47Å; V797-L838 HydrophobicContact CB-CD1 3.63Å; V797-L838 HydrophobicContact CG1-CD1 3.46Å; V797-L838 VanDerWaalsContact CG1-CD1 3.46Å; V797-L838 WeakPolarHBondContact O-CA 3.42Å; V797-I839 PolarHBondContact O-N 2.94Å
798	L	99	Very high	98	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.2	167.3	-53.1	-178.7	0	0	0	109.2	V688 A691 A692 L695 I704 L705 I706 V707 V796 I839	V688-L798 HydrophobicContact CG1-CB 3.91Å; V688-L798 HydrophobicContact CG1-CD1 4Å; A691-L798 HydrophobicContact CB-CD1 4.35Å; A692-L798 HydrophobicContact CB-CD1 3.85Å; L695-L798 HydrophobicContact CD1-CD2 4.46Å; I704-L798 HydrophobicContact CG2-CD1 4.16Å; I704-L798 HydrophobicContact CG2-CG 4.14Å; L705-L798 PolarHBondContact O-N 3.09Å; I706-L798 WeakPolarHBondContact CA-O 3.47Å; I706-L798 HydrophobicContact CG1-CB 4.37Å; V707-L798 PolarHBondContact N-O 3.29Å; V796-L798 HydrophobicContact CG1-CD2 4.1Å; L798-I839 CarbonylContact C-O 3.55Å; L798-I839 WeakPolarHBondContact CA-O 3.25Å; L798-I839 HydrophobicContact CD2-CB 3.99Å; L798-I839 HydrophobicContact CD2-CD1 3.69Å; L798-I839 HydrophobicContact CD2-CG1 4.39Å
799	V	99	Very high	97.8	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.9	175.1	-172.6	0	0	0	0	110.1	V707 W709 V797 A801 L830 L838 I839 L840 A841	V707-V799 CarbonylContact O-C 3.58Å; V707-V799 VanDerWaalsContact O-CA 3.23Å; V707-V799 WeakPolarHBondContact O-CA 3.43Å; W709-V799 HydrophobicContact CD2-CG1 3.82Å; W709-V799 HydrophobicContact CE3-CG1 3.81Å; W709-V799 HydrophobicContact CH2-CG1 3.99Å; W709-V799 HydrophobicContact CZ2-CG1 4.02Å; W709-V799 HydrophobicContact CZ3-CG1 3.9Å; V797-V799 HydrophobicContact CG1-CG2 4.37Å; V799-A801 HydrophobicContact CG1-CB 4.11Å; V799-A801 PolarHBondContact O-N 2.75Å; V799-L830 HydrophobicContact CG2-CD1 3.64Å; V799-L838 HydrophobicContact CG2-CD1 3.64Å; V799-I839 PolarHBondContact N-O 3.37Å; V799-L840 HydrophobicContact CB-CD1 4.06Å; V799-L840 HydrophobicContact CB-CG 3.94Å; V799-L840 HydrophobicContact CG1-CG 4.37Å; V799-L840 HydrophobicContact CG2-CD1 3.85Å; V799-L840 HydrophobicContact CG2-CG 4.27Å; V799-A841 PolarHBondContact O-N 3.22Å
800	S	98.9	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	97.6	161	-70.3	0	0	0	0	106.9	V707 D708 W709 G802	V707-S800 PolarHBondContact O-N 3.43Å; D708-S800 WeakPolarHBondContact OD1-CB 3.36Å; W709-S800 PolarHBondContact N-O 3.25Å; S800-G802 PolarHBondContact O-N 2.94Å
801	A	98.8	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	73.3	-166.1	0	0	0	0	0	110.9	W709 V799 F803 L840 A841 E843	W709-A801 HydrophobicContact CZ2-CB 4.1Å; V799-A801 HydrophobicContact CG1-CB 4.11Å; V799-A801 PolarHBondContact O-N 2.75Å; A801-F803 HydrophobicContact CB-CZ 4.48Å; A801-L840 HydrophobicContact CB-CB 4.19Å; A801-L840 HydrophobicContact CB-CG 4.28Å; A801-A841 WeakPolarHBondContact CA-O 3.23Å; A801-A841 WeakPolarHBondContact CB-O 3.29Å; A801-A841 PolarHBondContact N-O 2.79Å; A801-E843 PolarHBondContact O-N 2.8Å
802	G	98.7	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.172	C	C	.	.			trans	-70.6	158.1	163.9	0	0	0	0	0	112.2	W709 D710 S800	W709-G802 PolarHBondContact NE1-O 2.96Å; D710-G802 VanDerWaalsContact OD2-CA 3.22Å; D710-G802 WeakPolarHBondContact OD2-CA 3.4Å; S800-G802 PolarHBondContact O-N 2.94Å
803	F	98.8	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.181	C	C	.	.			trans	-136.4	30.6	178.8	-63.9	-50.6	0	0	0	112.2	F664 W709 A801 A806 N809 F823 L842 G844 G845 I851 A854 S855	F664-F803 HydrophobicContact CE2-CE2 4.16Å; F664-F803 HydrophobicContact CE2-CZ 4.09Å; F664-F803 AromaticContact CZ-CE2 4Å; F664-F803 HydrophobicContact CZ-CE2 4Å; F664-F803 HydrophobicContact CZ-CZ 4.39Å; W709-F803 HydrophobicContact CZ2-CE1 4.17Å; W709-F803 AromaticContact NE1-CE1 3.74Å; A801-F803 HydrophobicContact CB-CZ 4.48Å; F803-A806 VanDerWaalsContact O-CB 3.26Å; F803-A806 WeakPolarHBondContact O-CB 3.46Å; F803-N809 PolarHBondContact O-ND2 3.47Å; F803-F823 AromaticContact CD1-CD1 3.8Å; F803-F823 HydrophobicContact CD1-CD1 3.8Å; F803-F823 HydrophobicContact CD1-CD2 4.11Å; F803-F823 AromaticContact CD1-CE1 3.91Å; F803-F823 HydrophobicContact CD1-CE1 3.91Å; F803-F823 HydrophobicContact CD1-CE2 4.24Å; F803-F823 AromaticContact CD1-CG 3.89Å; F803-F823 HydrophobicContact CD1-CG 3.89Å; F803-F823 HydrophobicContact CD1-CZ 4.13Å; F803-F823 HydrophobicContact CE1-CB 4.06Å; F803-F823 AromaticContact CE1-CD1 3.82Å; F803-F823 HydrophobicContact CE1-CD1 3.82Å; F803-F823 HydrophobicContact CE1-CD2 4.47Å; F803-F823 HydrophobicContact CE1-CE1 4.37Å; F803-F823 AromaticContact CE1-CG 3.87Å; F803-F823 HydrophobicContact CE1-CG 3.87Å; F803-L842 HydrophobicContact CD2-CD1 3.68Å; F803-L842 HydrophobicContact CE2-CD1 3.86Å; F803-G844 PolarHBondContact N-O 3.36Å; F803-G845 VanDerWaalsContact C-CA 3.4Å; F803-I851 HydrophobicContact CB-CB 4.33Å; F803-I851 HydrophobicContact CB-CG2 3.84Å; F803-I851 HydrophobicContact CD2-CB 4.36Å; F803-A854 HydrophobicContact CB-CB 4.34Å; F803-A854 HydrophobicContact CD1-CB 3.46Å; F803-A854 VanDerWaalsContact CD1-CB 3.46Å; F803-A854 HydrophobicContact CD2-CB 4.14Å; F803-A854 HydrophobicContact CE1-CB 3.65Å; F803-A854 HydrophobicContact CE2-CB 4.29Å; F803-A854 HydrophobicContact CG-CB 3.73Å; F803-A854 HydrophobicContact CZ-CB 4.06Å; F803-S855 WeakPolarHBondContact CE2-OG 3.5Å
804	D	97.8	Very high	96.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	16%	0.158	C	C	.	.	S	Bend	trans	-90.9	-18.7	175.6	27.9	34.7	0	0	0	113.6	V711 H712 A806 N809 L813 G844 G845	V711-D804 HydrophobicContact CB-CB 4.38Å; V711-D804 HydrophobicContact CG1-CB 3.68Å; V711-D804 WeakPolarHBondContact CG1-OD1 3.27Å; V711-D804 PolarHBondContact N-OD1 3.17Å; H712-D804 IonicContact CE1-OD2 2.71Å; H712-D804 PolarHBondContact CE1-OD2 2.99Å; H712-D804 IonicContact ND1-OD2 2.73Å; H712-D804 PolarHBondContact ND1-OD2 3.43Å; D804-A806 PolarHBondContact O-N 2.98Å; D804-N809 WeakPolarHBondContact CA-ND2 3.37Å; D804-N809 VanDerWaalsContact O-CB 3.28Å; D804-N809 WeakPolarHBondContact O-CB 3.33Å; D804-N809 PolarHBondContact O-ND2 3.24Å; D804-L813 WeakPolarHBondContact CB-O 3.07Å; D804-G844 WeakPolarHBondContact OD2-CA 3.38Å; D804-G845 VanDerWaalsContact CG-N 3.26Å; D804-G845 VanDerWaalsContact N-CA 3.31Å; D804-G845 PolarHBondContact OD2-N 3.3Å
805	A	98.4	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-67.8	-10.3	164	0	0	0	0	0	112.3	V711 Y816 V818 F823	V711-A805 HydrophobicContact CB-CB 3.96Å; V711-A805 HydrophobicContact CG2-CB 4.05Å; A805-Y816 HydrophobicContact CB-CD2 4.32Å; A805-Y816 CarbonylContact O-C 3.59Å; A805-Y816 VanDerWaalsContact O-CB 3.26Å; A805-Y816 WeakPolarHBondContact O-CB 3.21Å; A805-V818 HydrophobicContact CB-CG2 4.08Å; A805-V818 WeakPolarHBondContact O-CB 3.37Å; A805-V818 WeakPolarHBondContact O-CG2 3.46Å; A805-V818 PolarHBondContact O-N 3.45Å; A805-F823 HydrophobicContact CB-CZ 4.25Å
806	A	97.8	Very high	96.5	Very high	3 Å²	3	22.9 Å²	22.9	3%	0.025	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-72.7	148.2	-179.7	0	0	0	0	0	112.8	F803 D804 G808 N809 V818 F823 A850	F803-A806 VanDerWaalsContact O-CB 3.26Å; F803-A806 WeakPolarHBondContact O-CB 3.46Å; D804-A806 PolarHBondContact O-N 2.98Å; A806-G808 PolarHBondContact O-N 3.44Å; A806-N809 PolarHBondContact O-N 3.02Å; A806-N809 PolarHBondContact O-ND2 2.77Å; A806-V818 CarbonylContact C-O 3.55Å; A806-V818 WeakPolarHBondContact CA-O 3.42Å; A806-F823 HydrophobicContact CB-CE2 3.81Å; A806-F823 HydrophobicContact CB-CZ 4.43Å; A806-A850 HydrophobicContact CB-CB 3.96Å
807	E	94.1	Very high	96.4	Very high	114 Å²	114	27.7 Å²	27.7	53%	0.533	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	136.7	173.4	-176.5	160.2	-126.5	0	0	111.7	K817 V818	E807-K817 HydrophobicContact CG-CG 4.43Å; E807-K817 IonicContact OE1-NZ 3.82Å; E807-K817 PolarHBondContact OE1-NZ 3.42Å; E807-V818 PolarHBondContact N-O 3.46Å
808	G	89.7	Confident	96.4	Very high	50 Å²	50	27.8 Å²	27.8	52%	0.515	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.3	-24.7	-176.8	0	0	0	0	0	113.6	A806 P810	A806-G808 PolarHBondContact O-N 3.44Å; G808-P810 WeakPolarHBondContact O-CD 3.37Å
809	N	93.3	Very high	96.4	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.032	18%	0.183	C	C	.	.	S	Bend	trans	-75.8	123.8	176.7	-63.5	-81.6	0	0	0	110.9	F803 D804 A806 G815 H846 D847	F803-N809 PolarHBondContact O-ND2 3.47Å; D804-N809 WeakPolarHBondContact CA-ND2 3.37Å; D804-N809 VanDerWaalsContact O-CB 3.28Å; D804-N809 WeakPolarHBondContact O-CB 3.33Å; D804-N809 PolarHBondContact O-ND2 3.24Å; A806-N809 PolarHBondContact O-N 3.02Å; A806-N809 PolarHBondContact O-ND2 2.77Å; N809-G815 WeakPolarHBondContact O-CA 3.46Å; N809-G815 PolarHBondContact O-N 3.07Å; N809-H846 PolarHBondContact OD1-N 3.31Å; N809-H846 VanDerWaalsContact OD1-N 3.08Å; N809-D847 PolarHBondContact OD1-N 3.13Å
810	P	93.1	Very high	96.3	Very high	77 Å²	77	30.5 Å²	30.5	50%	0.5	19%	0.193	S	C	.	.			trans	-61.6	154.4	-176.3	-26.9	36.4	0	0	0	114.6	G808 P812 L813 G814 G815	G808-P810 WeakPolarHBondContact O-CD 3.37Å; P810-P812 VanDerWaalsContact C-N 3.31Å; P810-P812 VanDerWaalsContact O-N 3.09Å; P810-L813 CarbonylContact O-C 3.58Å; P810-L813 PolarHBondContact O-N 2.87Å; P810-G814 PolarHBondContact O-N 2.87Å; P810-G815 PolarHBondContact O-N 3.08Å
811	A	94.4	Very high	96.3	Very high	51 Å²	51	34.2 Å²	34.2	42%	0.421	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-50.8	-31.5	-178.5	0	0	0	0	0	117.1	R734 L768 L813	R734-A811 PolarHBondContact NH1-O 3.36Å; L768-A811 HydrophobicContact CD1-CB 3.55Å; A811-L813 VanDerWaalsContact C-N 3.35Å
812	P	93.7	Very high	96.3	Very high	108 Å²	108	34.2 Å²	34.2	70%	0.701	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-76.9	-12.3	173.2	-19.5	34.6	0	0	0	115.6	P810	P810-P812 VanDerWaalsContact C-N 3.31Å; P810-P812 VanDerWaalsContact O-N 3.09Å
813	L	91.9	Very high	96.3	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.246	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-118.3	11.7	-179.2	-64.5	175.2	0	0	0	112.3	P545 D804 P810 A811	P545-L813 HydrophobicContact CB-CD1 4.28Å; P545-L813 HydrophobicContact CG-CD1 4.19Å; D804-L813 WeakPolarHBondContact CB-O 3.07Å; P810-L813 CarbonylContact O-C 3.58Å; P810-L813 PolarHBondContact O-N 2.87Å; A811-L813 VanDerWaalsContact C-N 3.35Å
814	G	95.5	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.21	C	C	.	.			trans	152.1	-87.1	-174.9	0	0	0	0	0	111	R734 P810	R734-G814 WeakPolarHBondContact CD-O 3.13Å; R734-G814 PolarHBondContact NH1-O 3.44Å; P810-G814 PolarHBondContact O-N 2.87Å
815	G	96.8	Very high	96.3	Very high	13 Å²	13	35 Å²	35	13%	0.134	21%	0.213	C	C	.	.			trans	87.7	4.2	178	0	0	0	0	0	115.8	P771 N809 P810	P771-G815 WeakPolarHBondContact CB-O 3.28Å; N809-G815 WeakPolarHBondContact O-CA 3.46Å; N809-G815 PolarHBondContact O-N 3.07Å; P810-G815 PolarHBondContact O-N 3.08Å
816	Y	98.6	Very high	96.3	Very high	3 Å²	3	35 Å²	35	1%	0.012	21%	0.213	C	C	.	.			trans	-83	174.1	176	-72.8	-5.2	0	0	0	112.5	V711 R734 W764 L768 P771 M772 Y777 A805	V711-Y816 HydrophobicContact CG2-CD2 3.72Å; V711-Y816 HydrophobicContact CG2-CE2 3.99Å; V711-Y816 HydrophobicContact CG2-CG 4.31Å; R734-Y816 HydrophobicContact CB-CE1 4.49Å; R734-Y816 HydrophobicContact CB-CE2 3.94Å; R734-Y816 WeakPolarHBondContact CB-OH 3.32Å; R734-Y816 HydrophobicContact CG-CE1 4.26Å; R734-Y816 WeakPolarHBondContact CG-OH 3.38Å; W764-Y816 HydrophobicContact CB-CE2 4.37Å; W764-Y816 WeakPolarHBondContact CB-OH 3.32Å; W764-Y816 AromaticContact CD1-CE2 3.79Å; W764-Y816 HydrophobicContact CG-CE2 4.27Å; L768-Y816 HydrophobicContact CD2-CD1 3.69Å; L768-Y816 HydrophobicContact CD2-CE1 3.7Å; P771-Y816 HydrophobicContact CB-CD1 4.29Å; M772-Y816 HydrophobicContact CB-CD1 4.11Å; M772-Y816 HydrophobicContact CB-CD2 3.88Å; M772-Y816 HydrophobicContact CB-CE1 4.07Å; M772-Y816 HydrophobicContact CB-CE2 3.85Å; M772-Y816 HydrophobicContact CB-CG 4.02Å; M772-Y816 HydrophobicContact CG-CD1 4.29Å; M772-Y816 HydrophobicContact CG-CD2 4.3Å; M772-Y816 HydrophobicContact CG-CE1 3.74Å; M772-Y816 HydrophobicContact CG-CE2 3.75Å; M772-Y816 VanDerWaalsContact CG-CZ 3.44Å; M772-Y816 WeakPolarHBondContact O-CB 3.15Å; Y777-Y816 HydrophobicContact CE2-CD2 4.16Å; Y777-Y816 HydrophobicContact CE2-CE2 4.49Å; A805-Y816 HydrophobicContact CB-CD2 4.32Å; A805-Y816 CarbonylContact O-C 3.59Å; A805-Y816 VanDerWaalsContact O-CB 3.26Å; A805-Y816 WeakPolarHBondContact O-CB 3.21Å
817	K	98	Very high	96.3	Very high	105 Å²	105	34.9 Å²	34.9	46%	0.457	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-130.7	41.1	-171.1	-71.3	172.5	164.5	-80.9	0	111.8	P771 M772 G773 E807	P771-K817 HydrophobicContact CB-CD 4.31Å; P771-K817 HydrophobicContact CB-CG 4.42Å; P771-K817 HydrophobicContact CG-CD 4.16Å; M772-K817 PolarHBondContact O-N 3.06Å; G773-K817 WeakPolarHBondContact CA-O 3.26Å; E807-K817 HydrophobicContact CG-CG 4.43Å; E807-K817 IonicContact OE1-NZ 3.82Å; E807-K817 PolarHBondContact OE1-NZ 3.42Å
818	V	98.6	Very high	96.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-73.9	136.8	172.7	-174.2	0	0	0	0	109.2	D774 Y777 A805 A806 E807 C822 F823	D774-V818 WeakPolarHBondContact OD1-CA 3.47Å; Y777-V818 HydrophobicContact CD2-CG2 3.54Å; Y777-V818 HydrophobicContact CE2-CG2 3.63Å; Y777-V818 HydrophobicContact CG-CG2 4.03Å; A805-V818 HydrophobicContact CB-CG2 4.08Å; A805-V818 WeakPolarHBondContact O-CB 3.37Å; A805-V818 WeakPolarHBondContact O-CG2 3.46Å; A805-V818 PolarHBondContact O-N 3.45Å; A806-V818 CarbonylContact C-O 3.55Å; A806-V818 WeakPolarHBondContact CA-O 3.42Å; E807-V818 PolarHBondContact N-O 3.46Å; V818-C822 HydrophobicContact CG1-CB 3.75Å; V818-F823 HydrophobicContact CB-CE2 3.82Å; V818-F823 HydrophobicContact CB-CZ 4.01Å; V818-F823 HydrophobicContact CG1-CD2 3.91Å; V818-F823 HydrophobicContact CG1-CE1 4.38Å; V818-F823 HydrophobicContact CG1-CE2 3.46Å; V818-F823 VanDerWaalsContact CG1-CE2 3.46Å; V818-F823 HydrophobicContact CG1-CZ 3.74Å
819	S	98.3	Very high	96.9	Very high	36 Å²	36	31.9 Å²	31.9	25%	0.252	18%	0.182	S	C	.	.			trans	-87.4	153.2	178.6	79.1	0	0	0	0	111.7	D774 K821 C822 F823	D774-S819 PolarHBondContact OD1-N 3.15Å; D774-S819 PolarHBondContact OD1-OG 3.42Å; D774-S819 VanDerWaalsContact OD2-CB 3.29Å; D774-S819 WeakPolarHBondContact OD2-CB 3.36Å; D774-S819 PolarHBondContact OD2-OG 3.17Å; S819-K821 PolarHBondContact O-N 3.42Å; S819-C822 WeakPolarHBondContact O-CB 3.39Å; S819-C822 PolarHBondContact O-N 2.91Å; S819-C822 PolarHBondContact OG-N 3.04Å; S819-C822 VanDerWaalsContact OG-N 3.07Å; S819-F823 VanDerWaalsContact O-CD2 3.29Å; S819-F823 WeakPolarHBondContact O-CD2 3.33Å; S819-F823 PolarHBondContact O-N 3.26Å
820	A	98	Very high	97.2	Very high	26 Å²	26	31.6 Å²	31.6	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-54.1	-39.9	171	0	0	0	0	0	112.5	C822 F823 G824 D853 A854 A857	A820-C822 VanDerWaalsContact C-N 3.3Å; A820-C822 PolarHBondContact O-N 3.14Å; A820-F823 PolarHBondContact O-N 2.89Å; A820-G824 PolarHBondContact O-N 2.61Å; A820-G824 VanDerWaalsContact O-N 3.16Å; A820-D853 VanDerWaalsContact CB-C 3.45Å; A820-D853 HydrophobicContact CB-CB 3.63Å; A820-A854 HydrophobicContact CB-CB 4.37Å; A820-A857 WeakPolarHBondContact O-CB 3.42Å
821	K	97.7	Very high	97.4	Very high	78 Å²	78	29.6 Å²	29.6	34%	0.339	17%	0.165	S	C	.	.	H	α-helix	trans	-59.4	-39.8	174.5	-78.6	175.5	164	-75.8	0	111.8	S819 G824 F825 D867 A868 M869 P870	S819-K821 PolarHBondContact O-N 3.42Å; K821-G824 WeakPolarHBondContact O-CA 3.4Å; K821-G824 PolarHBondContact O-N 3.03Å; K821-F825 PolarHBondContact O-N 3.4Å; K821-D867 IonicContact NZ-OD1 2.6Å; K821-D867 PolarHBondContact NZ-OD1 2.86Å; K821-D867 IonicContact NZ-OD2 2.8Å; K821-D867 PolarHBondContact NZ-OD2 2.92Å; K821-A868 PolarHBondContact NZ-O 3.32Å; K821-M869 VanDerWaalsContact C-SD 3.52Å; K821-M869 HydrophobicContact CB-SD 3.8Å; K821-P870 HydrophobicContact CD-CG 4.31Å
822	C	98.6	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-48.2	176.6	-170	0	0	0	0	111.5	D774 V818 S819 A820 G824 F825 L826 M869	D774-C822 HydrophobicContact CB-CB 4.23Å; D774-C822 VanDerWaalsContact CG-CB 3.46Å; D774-C822 VanDerWaalsContact OD1-CB 3.23Å; D774-C822 WeakPolarHBondContact OD1-CB 3.5Å; V818-C822 HydrophobicContact CG1-CB 3.75Å; S819-C822 WeakPolarHBondContact O-CB 3.39Å; S819-C822 PolarHBondContact O-N 2.91Å; S819-C822 PolarHBondContact OG-N 3.04Å; S819-C822 VanDerWaalsContact OG-N 3.07Å; A820-C822 VanDerWaalsContact C-N 3.3Å; A820-C822 PolarHBondContact O-N 3.14Å; C822-G824 PolarHBondContact O-N 3.06Å; C822-F825 CarbonylContact O-C 3.37Å; C822-F825 WeakPolarHBondContact O-CA 3.44Å; C822-F825 WeakPolarHBondContact O-CB 3.15Å; C822-F825 PolarHBondContact O-N 3.02Å; C822-L826 WeakPolarHBondContact O-CG 3.5Å; C822-L826 PolarHBondContact O-N 3.1Å; C822-M869 HydrophobicContact CB-CE 3.93Å
823	F	98.7	Very high	97.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-35.9	175.1	-68.5	-76.8	0	0	0	112.8	W709 F803 A805 A806 V818 S819 A820 T827 A854	W709-F823 AromaticContact CD1-CD1 3.91Å; W709-F823 AromaticContact CD1-CE1 3.63Å; W709-F823 HydrophobicContact CD2-CD1 4.12Å; W709-F823 HydrophobicContact CD2-CE1 4.45Å; W709-F823 AromaticContact CE2-CD1 3.69Å; W709-F823 HydrophobicContact CG-CD1 4.27Å; W709-F823 HydrophobicContact CG-CE1 4.12Å; W709-F823 HydrophobicContact CZ2-CD1 4.13Å; W709-F823 AromaticContact NE1-CD1 3.52Å; W709-F823 AromaticContact NE1-CE1 3.67Å; F803-F823 AromaticContact CD1-CD1 3.8Å; F803-F823 HydrophobicContact CD1-CD1 3.8Å; F803-F823 HydrophobicContact CD1-CD2 4.11Å; F803-F823 AromaticContact CD1-CE1 3.91Å; F803-F823 HydrophobicContact CD1-CE1 3.91Å; F803-F823 HydrophobicContact CD1-CE2 4.24Å; F803-F823 AromaticContact CD1-CG 3.89Å; F803-F823 HydrophobicContact CD1-CG 3.89Å; F803-F823 HydrophobicContact CD1-CZ 4.13Å; F803-F823 HydrophobicContact CE1-CB 4.06Å; F803-F823 AromaticContact CE1-CD1 3.82Å; F803-F823 HydrophobicContact CE1-CD1 3.82Å; F803-F823 HydrophobicContact CE1-CD2 4.47Å; F803-F823 HydrophobicContact CE1-CE1 4.37Å; F803-F823 AromaticContact CE1-CG 3.87Å; F803-F823 HydrophobicContact CE1-CG 3.87Å; A805-F823 HydrophobicContact CB-CZ 4.25Å; A806-F823 HydrophobicContact CB-CE2 3.81Å; A806-F823 HydrophobicContact CB-CZ 4.43Å; V818-F823 HydrophobicContact CB-CE2 3.82Å; V818-F823 HydrophobicContact CB-CZ 4.01Å; V818-F823 HydrophobicContact CG1-CD2 3.91Å; V818-F823 HydrophobicContact CG1-CE1 4.38Å; V818-F823 HydrophobicContact CG1-CE2 3.46Å; V818-F823 VanDerWaalsContact CG1-CE2 3.46Å; V818-F823 HydrophobicContact CG1-CZ 3.74Å; S819-F823 VanDerWaalsContact O-CD2 3.29Å; S819-F823 WeakPolarHBondContact O-CD2 3.33Å; S819-F823 PolarHBondContact O-N 3.26Å; A820-F823 PolarHBondContact O-N 2.89Å; F823-T827 WeakPolarHBondContact O-CB 3.28Å; F823-T827 PolarHBondContact O-N 2.66Å; F823-T827 PolarHBondContact O-OG1 2.83Å; F823-A854 HydrophobicContact CB-CB 4.38Å; F823-A854 HydrophobicContact CD2-CB 3.92Å; F823-A854 HydrophobicContact CG-CB 4.33Å
824	G	98.4	Very high	98.1	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-53	167.3	0	0	0	0	0	112.6	A820 K821 C822 L826 T827 R828 E861	A820-G824 PolarHBondContact O-N 2.61Å; A820-G824 VanDerWaalsContact O-N 3.16Å; K821-G824 WeakPolarHBondContact O-CA 3.4Å; K821-G824 PolarHBondContact O-N 3.03Å; C822-G824 PolarHBondContact O-N 3.06Å; G824-L826 VanDerWaalsContact C-N 3.34Å; G824-L826 PolarHBondContact O-N 3.44Å; G824-T827 WeakPolarHBondContact O-CA 3.31Å; G824-T827 VanDerWaalsContact O-CB 3.25Å; G824-T827 WeakPolarHBondContact O-CB 3.34Å; G824-T827 PolarHBondContact O-N 2.55Å; G824-T827 VanDerWaalsContact O-N 3.1Å; G824-R828 PolarHBondContact O-N 2.98Å; G824-E861 WeakPolarHBondContact O-CG 3.45Å
825	F	98.1	Very high	98.2	Very high	17 Å²	17	28.3 Å²	28.3	8%	0.075	17%	0.171	C	C	.	.	H	α-helix	trans	-56.3	-44.5	176.4	-171.3	-79.7	0	0	0	112.7	L778 K821 C822 T827 R828 Q829 M869 Y911	L778-F825 HydrophobicContact CD2-CD1 3.29Å; L778-F825 HydrophobicContact CD2-CE1 3.38Å; L778-F825 HydrophobicContact CD2-CG 3.96Å; L778-F825 HydrophobicContact CD2-CZ 4.11Å; K821-F825 PolarHBondContact O-N 3.4Å; C822-F825 CarbonylContact O-C 3.37Å; C822-F825 WeakPolarHBondContact O-CA 3.44Å; C822-F825 WeakPolarHBondContact O-CB 3.15Å; C822-F825 PolarHBondContact O-N 3.02Å; F825-T827 VanDerWaalsContact C-N 3.33Å; F825-T827 PolarHBondContact O-N 3.36Å; F825-R828 VanDerWaalsContact CD2-NH2 3.33Å; F825-R828 PolarHBondContact O-N 3.41Å; F825-Q829 HydrophobicContact CD1-CG 3.78Å; F825-Q829 HydrophobicContact CE1-CG 3.49Å; F825-Q829 VanDerWaalsContact CE1-CG 3.49Å; F825-Q829 HydrophobicContact CZ-CG 4.35Å; F825-Q829 WeakPolarHBondContact O-CG 3.3Å; F825-Q829 PolarHBondContact O-N 3.25Å; F825-M869 HydrophobicContact CB-CG 3.94Å; F825-M869 HydrophobicContact CB-SD 3.89Å; F825-M869 HydrophobicContact CD2-CG 3.41Å; F825-M869 VanDerWaalsContact CD2-CG 3.41Å; F825-M869 HydrophobicContact CD2-SD 4.48Å; F825-M869 HydrophobicContact CE2-CG 4.18Å; F825-M869 HydrophobicContact CG-CG 3.91Å; F825-M869 HydrophobicContact CG-SD 4.47Å; F825-Y911 HydrophobicContact CE1-CE2 4.14Å; F825-Y911 HydrophobicContact CZ-CE1 4.49Å; F825-Y911 AromaticContact CZ-CE2 3.84Å; F825-Y911 HydrophobicContact CZ-CE2 3.84Å; F825-Y911 AromaticContact CZ-CZ 3.76Å
826	L	98.7	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-41.3	176.2	-57.9	-170.9	0	0	0	111.1	W709 Y777 F781 C822 G824 R828 Q829 L830	W709-L826 HydrophobicContact CE3-CB 4.07Å; W709-L826 HydrophobicContact CE3-CD1 4.19Å; W709-L826 HydrophobicContact CH2-CB 4.46Å; W709-L826 HydrophobicContact CZ3-CB 3.71Å; Y777-L826 HydrophobicContact CD1-CD1 4.08Å; F781-L826 HydrophobicContact CB-CD2 4.26Å; F781-L826 HydrophobicContact CD1-CD2 3.88Å; F781-L826 HydrophobicContact CD2-CD1 4.29Å; F781-L826 HydrophobicContact CD2-CD2 3.62Å; F781-L826 HydrophobicContact CD2-CG 4.47Å; F781-L826 HydrophobicContact CE1-CB 4Å; F781-L826 HydrophobicContact CE1-CD2 4.07Å; F781-L826 HydrophobicContact CE1-CG 4.46Å; F781-L826 HydrophobicContact CE2-CB 4.45Å; F781-L826 HydrophobicContact CE2-CD1 3.77Å; F781-L826 HydrophobicContact CE2-CD2 3.85Å; F781-L826 HydrophobicContact CE2-CG 4.21Å; F781-L826 HydrophobicContact CG-CD2 3.64Å; F781-L826 HydrophobicContact CZ-CB 3.94Å; F781-L826 HydrophobicContact CZ-CD1 4.03Å; F781-L826 HydrophobicContact CZ-CD2 4.06Å; F781-L826 HydrophobicContact CZ-CG 4.2Å; C822-L826 WeakPolarHBondContact O-CG 3.5Å; C822-L826 PolarHBondContact O-N 3.1Å; G824-L826 VanDerWaalsContact C-N 3.34Å; G824-L826 PolarHBondContact O-N 3.44Å; L826-R828 PolarHBondContact O-N 2.9Å; L826-Q829 PolarHBondContact O-N 3.24Å; L826-L830 WeakPolarHBondContact O-CG 3.41Å; L826-L830 PolarHBondContact O-N 2.66Å; L826-L830 VanDerWaalsContact O-N 3.1Å
827	T	98.8	Very high	98.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.3	-48.8	173	-53.3	0	0	0	0	110.9	W709 F823 G824 F825 Q829 L830 M831 L838 L840 C858 E861 L862	W709-T827 WeakPolarHBondContact CH2-OG1 3.49Å; F823-T827 WeakPolarHBondContact O-CB 3.28Å; F823-T827 PolarHBondContact O-N 2.66Å; F823-T827 PolarHBondContact O-OG1 2.83Å; G824-T827 WeakPolarHBondContact O-CA 3.31Å; G824-T827 VanDerWaalsContact O-CB 3.25Å; G824-T827 WeakPolarHBondContact O-CB 3.34Å; G824-T827 PolarHBondContact O-N 2.55Å; G824-T827 VanDerWaalsContact O-N 3.1Å; F825-T827 VanDerWaalsContact C-N 3.33Å; F825-T827 PolarHBondContact O-N 3.36Å; T827-Q829 PolarHBondContact O-N 3.06Å; T827-L830 PolarHBondContact O-N 3.17Å; T827-M831 HydrophobicContact CG2-SD 4.29Å; T827-M831 WeakPolarHBondContact O-CG 3.46Å; T827-M831 PolarHBondContact O-N 3.43Å; T827-L838 HydrophobicContact CG2-CD2 3.93Å; T827-L840 HydrophobicContact CG2-CD1 4.37Å; T827-L840 HydrophobicContact CG2-CD2 4.19Å; T827-C858 PolarHBondContact OG1-SG 3.45Å; T827-E861 HydrophobicContact CG2-CB 4.39Å; T827-L862 HydrophobicContact CG2-CD2 3.79Å; T827-L862 HydrophobicContact CG2-CG 3.92Å
828	R	97.7	Very high	98.2	Very high	55 Å²	55	27.1 Å²	27.1	21%	0.208	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-39.3	178.8	177.2	169	59.3	-135.5	9.2	112.8	G824 F825 L826 M831 E861 D867	G824-R828 PolarHBondContact O-N 2.98Å; F825-R828 VanDerWaalsContact CD2-NH2 3.33Å; F825-R828 PolarHBondContact O-N 3.41Å; L826-R828 PolarHBondContact O-N 2.9Å; R828-M831 PolarHBondContact O-N 3.05Å; R828-E861 WeakPolarHBondContact CD-OE2 3.48Å; R828-E861 IonicContact CZ-OE1 2.92Å; R828-E861 IonicContact CZ-OE2 2.67Å; R828-E861 IonicContact NE-OE2 3.84Å; R828-E861 IonicContact NH1-OE1 2.83Å; R828-E861 PolarHBondContact NH1-OE1 3.38Å; R828-E861 IonicContact NH1-OE2 2.6Å; R828-E861 PolarHBondContact NH1-OE2 3.27Å; R828-D867 PolarHBondContact NH1-O 3.28Å; R828-D867 PolarHBondContact NH2-O 3.4Å
829	Q	98.1	Very high	98.3	Very high	46 Å²	46	27.1 Å²	27.1	22%	0.215	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-48.4	174.2	-69.6	-70.7	94.8	0	0	110.9	F781 M786 F825 L826 T827 M831 S832	F781-Q829 HydrophobicContact CD1-CB 4.21Å; M786-Q829 HydrophobicContact CE-CB 4.43Å; M786-Q829 VanDerWaalsContact CE-O 3.27Å; M786-Q829 WeakPolarHBondContact CE-O 3.44Å; M786-Q829 HydrophobicContact CG-CB 4.4Å; M786-Q829 HydrophobicContact SD-CB 3.92Å; F825-Q829 HydrophobicContact CD1-CG 3.78Å; F825-Q829 HydrophobicContact CE1-CG 3.49Å; F825-Q829 VanDerWaalsContact CE1-CG 3.49Å; F825-Q829 HydrophobicContact CZ-CG 4.35Å; F825-Q829 WeakPolarHBondContact O-CG 3.3Å; F825-Q829 PolarHBondContact O-N 3.25Å; L826-Q829 PolarHBondContact O-N 3.24Å; T827-Q829 PolarHBondContact O-N 3.06Å; Q829-M831 VanDerWaalsContact C-N 3.3Å; Q829-M831 PolarHBondContact O-N 3.41Å; Q829-S832 WeakPolarHBondContact O-CB 3.47Å; Q829-S832 PolarHBondContact O-N 3.34Å; Q829-S832 VanDerWaalsContact O-N 3.16Å; Q829-S832 PolarHBondContact O-OG 3.15Å
830	L	98.8	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.2	-27.1	178.5	-61.8	177.8	0	0	0	113.3	V707 W709 F781 M786 V799 L826 T827 S832 L833 L838	V707-L830 HydrophobicContact CB-CD1 4.14Å; V707-L830 HydrophobicContact CG1-CD1 4.36Å; V707-L830 HydrophobicContact CG2-CD1 4.05Å; V707-L830 HydrophobicContact CG2-CD2 3.93Å; W709-L830 HydrophobicContact CZ3-CD1 4.06Å; F781-L830 HydrophobicContact CE1-CD1 4.33Å; F781-L830 HydrophobicContact CE1-CD2 3.94Å; F781-L830 HydrophobicContact CE1-CG 3.96Å; M786-L830 HydrophobicContact SD-CD2 4.05Å; V799-L830 HydrophobicContact CG2-CD1 3.64Å; L826-L830 WeakPolarHBondContact O-CG 3.41Å; L826-L830 PolarHBondContact O-N 2.66Å; L826-L830 VanDerWaalsContact O-N 3.1Å; T827-L830 PolarHBondContact O-N 3.17Å; L830-S832 PolarHBondContact O-N 3.35Å; L830-L833 HydrophobicContact CD2-CD1 3.92Å; L830-L833 WeakPolarHBondContact O-CB 3.43Å; L830-L833 PolarHBondContact O-N 3.39Å; L830-L838 HydrophobicContact CB-CD1 3.88Å; L830-L838 HydrophobicContact CB-CD2 4.03Å; L830-L838 HydrophobicContact CD1-CD1 4.42Å
831	M	98.1	Very high	98.3	Very high	35 Å²	35	24.2 Å²	24.2	17%	0.172	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.8	173.5	-74.3	174.7	57.3	0	0	114.2	T827 R828 Q829 L833 G836 L838 E861 L862	T827-M831 HydrophobicContact CG2-SD 4.29Å; T827-M831 WeakPolarHBondContact O-CG 3.46Å; T827-M831 PolarHBondContact O-N 3.43Å; R828-M831 PolarHBondContact O-N 3.05Å; Q829-M831 VanDerWaalsContact C-N 3.3Å; Q829-M831 PolarHBondContact O-N 3.41Å; M831-L833 VanDerWaalsContact C-N 3.27Å; M831-G836 WeakPolarHBondContact O-CA 3.34Å; M831-L838 HydrophobicContact CB-CD2 4.5Å; M831-L838 HydrophobicContact CG-CB 4.48Å; M831-L838 HydrophobicContact CG-CD2 3.49Å; M831-L838 VanDerWaalsContact CG-CD2 3.49Å; M831-E861 WeakPolarHBondContact CE-O 3.44Å; M831-E861 VanDerWaalsContact SD-O 3.38Å; M831-L862 HydrophobicContact CG-CD2 4.42Å; M831-L862 HydrophobicContact SD-CD2 4.02Å
832	S	97.8	Very high	98.4	Very high	79 Å²	79	20.5 Å²	20.5	55%	0.552	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.7	171.5	70	0	0	0	0	113.3	M786 Q829 L830	M786-S832 WeakPolarHBondContact CE-OG 3.17Å; Q829-S832 WeakPolarHBondContact O-CB 3.47Å; Q829-S832 PolarHBondContact O-N 3.34Å; Q829-S832 VanDerWaalsContact O-N 3.16Å; Q829-S832 PolarHBondContact O-OG 3.15Å; L830-S832 PolarHBondContact O-N 3.35Å
833	L	98.6	Very high	98.4	Very high	12 Å²	12	20.6 Å²	20.6	6%	0.063	13%	0.125	C	C	.	.	S	Bend	trans	-89.8	163.6	-179.6	-53.6	170.3	0	0	0	111	L705 M786 A789 Q790 P794 V797 L830 M831 G835 G836	L705-L833 HydrophobicContact CD2-CD1 3.75Å; M786-L833 HydrophobicContact CE-CD1 4.14Å; M786-L833 HydrophobicContact CE-CD2 4.01Å; M786-L833 HydrophobicContact CE-CG 3.99Å; M786-L833 HydrophobicContact SD-CD1 4.35Å; A789-L833 HydrophobicContact CB-CD1 3.65Å; A789-L833 HydrophobicContact CB-CD2 4.33Å; Q790-L833 HydrophobicContact CG-CD2 3.92Å; P794-L833 HydrophobicContact CG-CB 4.27Å; V797-L833 HydrophobicContact CG2-CB 3.88Å; V797-L833 HydrophobicContact CG2-CD1 4.3Å; L830-L833 HydrophobicContact CD2-CD1 3.92Å; L830-L833 WeakPolarHBondContact O-CB 3.43Å; L830-L833 PolarHBondContact O-N 3.39Å; M831-L833 VanDerWaalsContact C-N 3.27Å; L833-G835 PolarHBondContact O-N 3.26Å; L833-G836 PolarHBondContact O-N 3.33Å
834	A	98.1	Very high	98.3	Very high	11 Å²	11	20.9 Å²	20.9	9%	0.091	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	51.8	23.8	173.3	0	0	0	0	0	115.7	P794 V797 G836 R837	P794-A834 VanDerWaalsContact O-CA 3.31Å; P794-A834 WeakPolarHBondContact O-CA 3.37Å; P794-A834 WeakPolarHBondContact O-CB 3.48Å; V797-A834 HydrophobicContact CG2-CB 3.95Å; A834-G836 PolarHBondContact O-N 2.95Å; A834-R837 HydrophobicContact CB-CB 4.23Å; A834-R837 WeakPolarHBondContact O-CB 3.36Å; A834-R837 PolarHBondContact O-N 3.04Å; A834-R837 PolarHBondContact O-NE 3.26Å; A834-R837 PolarHBondContact O-NH1 3.36Å; A834-R837 PolarHBondContact O-NH2 3.09Å
835	G	97	Very high	98.1	Very high	77 Å²	77	20.9 Å²	20.9	79%	0.794	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	60.3	27.3	-172.3	0	0	0	0	0	114	L833	L833-G835 PolarHBondContact O-N 3.26Å
836	G	97.4	Very high	97.9	Very high	9 Å²	9	21.1 Å²	21.1	9%	0.093	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	86.3	2.7	-177.5	0	0	0	0	0	115.6	M831 L833 A834 L838	M831-G836 WeakPolarHBondContact O-CA 3.34Å; L833-G836 PolarHBondContact O-N 3.33Å; A834-G836 PolarHBondContact O-N 2.95Å; G836-L838 PolarHBondContact O-N 3.41Å
837	R	98.7	Very high	97.8	Very high	85 Å²	85	23.9 Å²	23.9	32%	0.321	14%	0.144	S	C	.	.			trans	-72.5	74	177.5	-68.5	-175.4	-62.3	-85.4	-0.6	111.7	V655 D795 V797 A834	V655-R837 HydrophobicContact CG1-CB 3.97Å; V655-R837 HydrophobicContact CG1-CG 4.28Å; D795-R837 VanDerWaalsContact O-CZ 3.22Å; D795-R837 PolarHBondContact O-NE 2.94Å; D795-R837 PolarHBondContact O-NH2 3.03Å; V797-R837 PolarHBondContact N-O 3.47Å; A834-R837 HydrophobicContact CB-CB 4.23Å; A834-R837 WeakPolarHBondContact O-CB 3.36Å; A834-R837 PolarHBondContact O-N 3.04Å; A834-R837 PolarHBondContact O-NE 3.26Å; A834-R837 PolarHBondContact O-NH1 3.36Å; A834-R837 PolarHBondContact O-NH2 3.09Å
838	L	98.8	Very high	97.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.2	-175.7	-177.7	65.6	0	0	0	110.8	N662 G663 V797 V799 T827 L830 M831 G836 L840 L862	N662-L838 CarbonylContact C-O 3.54Å; N662-L838 VanDerWaalsContact CA-O 3.23Å; N662-L838 WeakPolarHBondContact CA-O 3.11Å; N662-L838 HydrophobicContact CB-CB 4.41Å; N662-L838 VanDerWaalsContact CB-O 3.26Å; N662-L838 WeakPolarHBondContact CB-O 3.09Å; G663-L838 PolarHBondContact N-O 3.27Å; V797-L838 HydrophobicContact CB-CD1 3.63Å; V797-L838 HydrophobicContact CG1-CD1 3.46Å; V797-L838 VanDerWaalsContact CG1-CD1 3.46Å; V797-L838 WeakPolarHBondContact O-CA 3.42Å; V799-L838 HydrophobicContact CG2-CD1 3.64Å; T827-L838 HydrophobicContact CG2-CD2 3.93Å; L830-L838 HydrophobicContact CB-CD1 3.88Å; L830-L838 HydrophobicContact CB-CD2 4.03Å; L830-L838 HydrophobicContact CD1-CD1 4.42Å; M831-L838 HydrophobicContact CB-CD2 4.5Å; M831-L838 HydrophobicContact CG-CB 4.48Å; M831-L838 HydrophobicContact CG-CD2 3.49Å; M831-L838 VanDerWaalsContact CG-CD2 3.49Å; G836-L838 PolarHBondContact O-N 3.41Å; L838-L840 HydrophobicContact CD1-CD1 4.07Å; L838-L840 HydrophobicContact CD2-CD1 3.8Å; L838-L840 HydrophobicContact CG-CD1 3.63Å; L838-L862 HydrophobicContact CD2-CD2 3.98Å; L838-L862 HydrophobicContact CG-CD2 4.44Å
839	I	98.9	Very high	97.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.3	174.3	-52.3	98.5	0	0	0	110.2	L651 V655 G663 V796 V797 L798 V799	L651-I839 HydrophobicContact CD2-CG2 3.7Å; L651-I839 HydrophobicContact CG-CG2 3.94Å; V655-I839 HydrophobicContact CB-CD1 3.86Å; V655-I839 HydrophobicContact CB-CG1 3.81Å; V655-I839 HydrophobicContact CG1-CD1 3.72Å; V655-I839 HydrophobicContact CG1-CG1 3.94Å; V655-I839 HydrophobicContact CG2-CD1 4.48Å; V655-I839 HydrophobicContact CG2-CG1 3.88Å; G663-I839 WeakPolarHBondContact O-CA 3.26Å; V796-I839 HydrophobicContact CG1-CD1 3.75Å; V797-I839 PolarHBondContact O-N 2.94Å; L798-I839 CarbonylContact C-O 3.55Å; L798-I839 WeakPolarHBondContact CA-O 3.25Å; L798-I839 HydrophobicContact CD2-CB 3.99Å; L798-I839 HydrophobicContact CD2-CD1 3.69Å; L798-I839 HydrophobicContact CD2-CG1 4.39Å; V799-I839 PolarHBondContact N-O 3.37Å
840	L	98.9	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.3	172	-80.4	58.1	0	0	0	109.6	G663 F664 A665 W709 V799 A801 T827 L838 C858 L862	G663-L840 PolarHBondContact O-N 3.02Å; F664-L840 CarbonylContact C-O 3.3Å; F664-L840 WeakPolarHBondContact CA-O 3.23Å; F664-L840 HydrophobicContact CD2-CB 3.45Å; F664-L840 VanDerWaalsContact CD2-CB 3.45Å; F664-L840 HydrophobicContact CD2-CD2 3.73Å; F664-L840 HydrophobicContact CD2-CG 4.25Å; F664-L840 HydrophobicContact CE2-CB 3.94Å; F664-L840 HydrophobicContact CE2-CD2 4.07Å; F664-L840 HydrophobicContact CG-CB 4.29Å; A665-L840 PolarHBondContact N-O 3.05Å; W709-L840 HydrophobicContact CH2-CD2 4.07Å; W709-L840 HydrophobicContact CH2-CG 4.45Å; W709-L840 HydrophobicContact CZ2-CD2 4.08Å; V799-L840 HydrophobicContact CB-CD1 4.06Å; V799-L840 HydrophobicContact CB-CG 3.94Å; V799-L840 HydrophobicContact CG1-CG 4.37Å; V799-L840 HydrophobicContact CG2-CD1 3.85Å; V799-L840 HydrophobicContact CG2-CG 4.27Å; A801-L840 HydrophobicContact CB-CB 4.19Å; A801-L840 HydrophobicContact CB-CG 4.28Å; T827-L840 HydrophobicContact CG2-CD1 4.37Å; T827-L840 HydrophobicContact CG2-CD2 4.19Å; L838-L840 HydrophobicContact CD1-CD1 4.07Å; L838-L840 HydrophobicContact CD2-CD1 3.8Å; L838-L840 HydrophobicContact CG-CD1 3.63Å; L840-C858 HydrophobicContact CD2-CB 3.78Å; L840-L862 HydrophobicContact CD1-CD2 4.47Å
841	A	98.9	Very high	97.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.7	170.5	0	0	0	0	0	110.2	V648 A665 V688 V799 A801 E843	V648-A841 HydrophobicContact CG1-CB 4.08Å; V648-A841 HydrophobicContact CG2-CB 3.77Å; A665-A841 HydrophobicContact CB-CB 4.28Å; V688-A841 HydrophobicContact CG2-CB 3.9Å; V799-A841 PolarHBondContact O-N 3.22Å; A801-A841 WeakPolarHBondContact CA-O 3.23Å; A801-A841 WeakPolarHBondContact CB-O 3.29Å; A801-A841 PolarHBondContact N-O 2.79Å; A841-E843 PolarHBondContact O-N 3.49Å
842	L	98.9	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	123.8	-178.4	-176.5	73	0	0	0	111.4	I551 I554 F664 A665 F803	I551-L842 HydrophobicContact CG2-CD2 3.77Å; I554-L842 HydrophobicContact CD1-CD1 4.08Å; I554-L842 HydrophobicContact CD1-CD2 3.58Å; F664-L842 HydrophobicContact CE1-CB 4.48Å; F664-L842 HydrophobicContact CZ-CB 4.28Å; F664-L842 HydrophobicContact CZ-CD1 4.43Å; A665-L842 PolarHBondContact O-N 3.49Å; F803-L842 HydrophobicContact CD2-CD1 3.68Å; F803-L842 HydrophobicContact CE2-CD1 3.86Å
843	E	98.8	Very high	97.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	15%	0.148	C	C	.	.			trans	-106.4	-108.2	173.4	-64	-67.9	151.3	0	0	109.8	R550 P670 G671 H672 A801 A841	R550-E843 PolarHBondContact NH1-O 3.2Å; R550-E843 PolarHBondContact NH2-O 3.39Å; P670-E843 HydrophobicContact CB-CB 4.4Å; P670-E843 VanDerWaalsContact CB-OE2 3.28Å; P670-E843 WeakPolarHBondContact CB-OE2 3.44Å; G671-E843 PolarHBondContact N-OE2 3.15Å; H672-E843 HydrophobicContact CB-CG 4.35Å; H672-E843 IonicContact CD2-OE2 2.72Å; H672-E843 PolarHBondContact CD2-OE2 3.14Å; H672-E843 IonicContact CG-OE2 3.69Å; H672-E843 PolarHBondContact N-OE2 3.37Å; A801-E843 PolarHBondContact O-N 2.8Å; A841-E843 PolarHBondContact O-N 3.49Å
844	G	96.1	Very high	97.8	Very high	7 Å²	7	23.2 Å²	23.2	7%	0.072	15%	0.145	C	C	.	.			trans	-82.2	-157.5	178.8	0	0	0	0	0	116	R550 D710 F803 D804	R550-G844 PolarHBondContact NH2-O 3.1Å; D710-G844 WeakPolarHBondContact OD2-CA 3.39Å; D710-G844 PolarHBondContact OD2-N 2.8Å; F803-G844 PolarHBondContact N-O 3.36Å; D804-G844 WeakPolarHBondContact OD2-CA 3.38Å
845	G	95.6	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.141	C	C	.	.			trans	88	127.5	-169.8	0	0	0	0	0	113.3	R550 F803 D804 I851	R550-G845 PolarHBondContact NE-O 3.35Å; R550-G845 PolarHBondContact NH2-O 3.39Å; F803-G845 VanDerWaalsContact C-CA 3.4Å; D804-G845 VanDerWaalsContact CG-N 3.26Å; D804-G845 VanDerWaalsContact N-CA 3.31Å; D804-G845 PolarHBondContact OD2-N 3.3Å; G845-I851 VanDerWaalsContact C-CG2 3.44Å
846	H	93.6	Very high	98	Very high	22 Å²	22	20.9 Å²	20.9	10%	0.102	11%	0.111	C	C	.	.			trans	-125.1	-29.8	-167.1	-62.8	-67.1	0	0	0	115.2	P545 F682 N809 L848	P545-H846 HydrophobicContact CB-CB 4.27Å; P545-H846 WeakPolarHBondContact CB-ND1 3.13Å; P545-H846 PolarHBondContact O-ND1 3.44Å; F682-H846 AromaticContact CE2-CE1 3.98Å; F682-H846 AromaticContact CE2-NE2 3.97Å; N809-H846 PolarHBondContact OD1-N 3.31Å; N809-H846 VanDerWaalsContact OD1-N 3.08Å; H846-L848 PolarHBondContact O-N 2.94Å
847	D	97	Very high	98	Very high	59 Å²	59	21.4 Å²	21.4	32%	0.316	12%	0.115	S	C	.	.			trans	-67.7	124.2	171	-180	-97.1	0	0	0	110.9	N809 T849 A850 I851	N809-D847 PolarHBondContact OD1-N 3.13Å; D847-T849 PolarHBondContact O-N 3.21Å; D847-T849 VanDerWaalsContact OD1-CA 3.28Å; D847-T849 WeakPolarHBondContact OD1-CA 3.4Å; D847-T849 WeakPolarHBondContact OD1-CB 3.1Å; D847-T849 PolarHBondContact OD1-N 3.34Å; D847-T849 PolarHBondContact OD1-OG1 2.98Å; D847-A850 HydrophobicContact CB-CB 4.05Å; D847-A850 PolarHBondContact O-N 3.07Å; D847-A850 PolarHBondContact OD1-N 2.98Å; D847-I851 WeakPolarHBondContact O-CG1 3.27Å; D847-I851 WeakPolarHBondContact O-CG2 3.49Å; D847-I851 PolarHBondContact O-N 3.34Å
848	L	97.4	Very high	98	Very high	60 Å²	60	17.3 Å²	17.3	31%	0.314	10%	0.1	S	C	.	.	H	α-helix	trans	-67.6	-22.8	-174.3	-62.8	-178.2	0	0	0	113.3	R550 H846 I851 C852	R550-L848 HydrophobicContact CG-CD2 4.22Å; H846-L848 PolarHBondContact O-N 2.94Å; L848-I851 HydrophobicContact CD2-CD1 3.99Å; L848-C852 WeakPolarHBondContact O-CB 3.25Å; L848-C852 PolarHBondContact O-SG 3.15Å
849	T	98.1	Very high	98	Very high	79 Å²	79	17.3 Å²	17.3	49%	0.485	10%	0.099	S	C	.	.	H	α-helix	trans	-77	-54.6	175.1	-37.5	0	0	0	0	109	D847 I851 C852 D853	D847-T849 PolarHBondContact O-N 3.21Å; D847-T849 VanDerWaalsContact OD1-CA 3.28Å; D847-T849 WeakPolarHBondContact OD1-CA 3.4Å; D847-T849 WeakPolarHBondContact OD1-CB 3.1Å; D847-T849 PolarHBondContact OD1-N 3.34Å; D847-T849 PolarHBondContact OD1-OG1 2.98Å; T849-I851 PolarHBondContact O-N 2.98Å; T849-C852 PolarHBondContact O-N 3.41Å; T849-C852 VanDerWaalsContact O-N 3.08Å; T849-D853 WeakPolarHBondContact O-CB 3.48Å; T849-D853 VanDerWaalsContact O-CG 3.29Å; T849-D853 PolarHBondContact O-N 3.25Å
850	A	97.8	Very high	98	Very high	11 Å²	11	18.1 Å²	18.1	9%	0.091	11%	0.105	C	C	.	.	H	α-helix	trans	-56.4	-46.9	-177.5	0	0	0	0	0	112.6	A806 D847 C852 D853 A854	A806-A850 HydrophobicContact CB-CB 3.96Å; D847-A850 HydrophobicContact CB-CB 4.05Å; D847-A850 PolarHBondContact O-N 3.07Å; D847-A850 PolarHBondContact OD1-N 2.98Å; A850-C852 VanDerWaalsContact C-N 3.33Å; A850-C852 PolarHBondContact O-N 3.07Å; A850-D853 PolarHBondContact O-N 3.42Å; A850-A854 VanDerWaalsContact O-CB 3.29Å; A850-A854 WeakPolarHBondContact O-CB 3.35Å; A850-A854 PolarHBondContact O-N 2.88Å
851	I	98.4	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69	-29.9	179.2	72.1	-175	0	0	0	112.9	R550 I554 F803 G845 D847 L848 T849 S855	R550-I851 HydrophobicContact CB-CD1 3.77Å; R550-I851 HydrophobicContact CG-CD1 3.93Å; I554-I851 HydrophobicContact CD1-CB 4.21Å; I554-I851 HydrophobicContact CD1-CD1 4.04Å; I554-I851 HydrophobicContact CD1-CG1 3.97Å; I554-I851 HydrophobicContact CG1-CD1 4.38Å; I554-I851 HydrophobicContact CG1-CG1 4.02Å; F803-I851 HydrophobicContact CB-CB 4.33Å; F803-I851 HydrophobicContact CB-CG2 3.84Å; F803-I851 HydrophobicContact CD2-CB 4.36Å; G845-I851 VanDerWaalsContact C-CG2 3.44Å; D847-I851 WeakPolarHBondContact O-CG1 3.27Å; D847-I851 WeakPolarHBondContact O-CG2 3.49Å; D847-I851 PolarHBondContact O-N 3.34Å; L848-I851 HydrophobicContact CD2-CD1 3.99Å; T849-I851 PolarHBondContact O-N 2.98Å; I851-S855 WeakPolarHBondContact O-CB 3.33Å; I851-S855 PolarHBondContact O-N 3.42Å; I851-S855 PolarHBondContact O-OG 3.43Å
852	C	98.8	Very high	97.9	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.027	11%	0.107	C	C	.	.	H	α-helix	trans	-74.6	-43.3	175.9	-72.4	0	0	0	0	111.4	S553 I554 R557 L848 T849 A850 S855 E856	S553-C852 VanDerWaalsContact CB-SG 3.51Å; I554-C852 PolarHBondContact N-SG 3.21Å; R557-C852 HydrophobicContact CB-CB 4.19Å; R557-C852 HydrophobicContact CG-CB 4.22Å; L848-C852 WeakPolarHBondContact O-CB 3.25Å; L848-C852 PolarHBondContact O-SG 3.15Å; T849-C852 PolarHBondContact O-N 3.41Å; T849-C852 VanDerWaalsContact O-N 3.08Å; A850-C852 VanDerWaalsContact C-N 3.33Å; A850-C852 PolarHBondContact O-N 3.07Å; C852-S855 PolarHBondContact O-N 3.4Å; C852-E856 VanDerWaalsContact O-CB 3.23Å; C852-E856 WeakPolarHBondContact O-CB 3.28Å; C852-E856 PolarHBondContact O-N 3.24Å
853	D	98.6	Very high	97.9	Very high	59 Å²	59	20 Å²	20	32%	0.316	12%	0.115	S	C	.	.	H	α-helix	trans	-64.4	-45.6	178.2	-67.4	4.5	0	0	0	110.5	R557 A820 T849 A850 E856 A857	R557-D853 IonicContact CZ-OD1 3.26Å; R557-D853 IonicContact NH1-OD1 2.74Å; R557-D853 PolarHBondContact NH1-OD1 3.46Å; R557-D853 IonicContact NH2-OD1 2.74Å; R557-D853 PolarHBondContact NH2-OD1 2.95Å; A820-D853 VanDerWaalsContact CB-C 3.45Å; A820-D853 HydrophobicContact CB-CB 3.63Å; T849-D853 WeakPolarHBondContact O-CB 3.48Å; T849-D853 VanDerWaalsContact O-CG 3.29Å; T849-D853 PolarHBondContact O-N 3.25Å; A850-D853 PolarHBondContact O-N 3.42Å; D853-E856 WeakPolarHBondContact O-CB 3.38Å; D853-E856 PolarHBondContact O-N 3.47Å; D853-A857 PolarHBondContact O-N 3.11Å
854	A	98.7	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-42	177.1	0	0	0	0	0	112.3	F803 A820 F823 A850 E856 A857 C858	F803-A854 HydrophobicContact CB-CB 4.34Å; F803-A854 HydrophobicContact CD1-CB 3.46Å; F803-A854 VanDerWaalsContact CD1-CB 3.46Å; F803-A854 HydrophobicContact CD2-CB 4.14Å; F803-A854 HydrophobicContact CE1-CB 3.65Å; F803-A854 HydrophobicContact CE2-CB 4.29Å; F803-A854 HydrophobicContact CG-CB 3.73Å; F803-A854 HydrophobicContact CZ-CB 4.06Å; A820-A854 HydrophobicContact CB-CB 4.37Å; F823-A854 HydrophobicContact CB-CB 4.38Å; F823-A854 HydrophobicContact CD2-CB 3.92Å; F823-A854 HydrophobicContact CG-CB 4.33Å; A850-A854 VanDerWaalsContact O-CB 3.29Å; A850-A854 WeakPolarHBondContact O-CB 3.35Å; A850-A854 PolarHBondContact O-N 2.88Å; A854-E856 VanDerWaalsContact C-N 3.33Å; A854-E856 PolarHBondContact O-N 3.19Å; A854-A857 PolarHBondContact O-N 3.24Å; A854-C858 WeakPolarHBondContact O-CB 3.11Å; A854-C858 PolarHBondContact O-N 3.34Å; A854-C858 PolarHBondContact O-SG 3.08Å
855	S	98.8	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-38.9	173.5	-62.1	0	0	0	0	112.4	F803 I851 C852 V859	F803-S855 WeakPolarHBondContact CE2-OG 3.5Å; I851-S855 WeakPolarHBondContact O-CB 3.33Å; I851-S855 PolarHBondContact O-N 3.42Å; I851-S855 PolarHBondContact O-OG 3.43Å; C852-S855 PolarHBondContact O-N 3.4Å; S855-V859 WeakPolarHBondContact O-CB 3.5Å; S855-V859 VanDerWaalsContact O-CG2 3.31Å; S855-V859 WeakPolarHBondContact O-CG2 3.11Å; S855-V859 PolarHBondContact O-N 3.32Å
856	E	98.7	Very high	97	Very high	38 Å²	38	33 Å²	33	18%	0.178	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-44.8	176	-179.2	178.1	150.2	0	0	111.5	R557 R561 L563 C852 D853 A854 S860	R557-E856 WeakPolarHBondContact CD-OE2 3.36Å; R557-E856 HydrophobicContact CG-CB 4.43Å; R557-E856 WeakPolarHBondContact CG-OE2 3.23Å; R557-E856 IonicContact CZ-OE2 2.81Å; R557-E856 IonicContact NE-OE2 3.65Å; R557-E856 IonicContact NH1-OE2 3.85Å; R557-E856 PolarHBondContact NH1-OE2 3.33Å; R561-E856 HydrophobicContact CG-CG 4.23Å; R561-E856 WeakPolarHBondContact CG-OE2 3.38Å; R561-E856 IonicContact CZ-OE1 3.98Å; R561-E856 IonicContact CZ-OE2 2.9Å; R561-E856 IonicContact NE-OE1 3.26Å; R561-E856 PolarHBondContact NE-OE1 3.27Å; R561-E856 IonicContact NE-OE2 2.71Å; R561-E856 PolarHBondContact NE-OE2 3.47Å; R561-E856 IonicContact NH2-OE1 3.93Å; R561-E856 PolarHBondContact NH2-OE1 3.02Å; R561-E856 IonicContact NH2-OE2 2.83Å; R561-E856 PolarHBondContact NH2-OE2 3.27Å; L563-E856 HydrophobicContact CD1-CG 3.95Å; C852-E856 VanDerWaalsContact O-CB 3.23Å; C852-E856 WeakPolarHBondContact O-CB 3.28Å; C852-E856 PolarHBondContact O-N 3.24Å; D853-E856 WeakPolarHBondContact O-CB 3.38Å; D853-E856 PolarHBondContact O-N 3.47Å; A854-E856 VanDerWaalsContact C-N 3.33Å; A854-E856 PolarHBondContact O-N 3.19Å; E856-S860 WeakPolarHBondContact O-CB 3.46Å; E856-S860 PolarHBondContact O-N 3.05Å; E856-S860 PolarHBondContact O-OG 3.03Å
857	A	98.6	Very high	96.5	Very high	20 Å²	20	35.9 Å²	35.9	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-50	175.6	0	0	0	0	0	112.2	A820 D853 A854 V859 S860 E861	A820-A857 WeakPolarHBondContact O-CB 3.42Å; D853-A857 PolarHBondContact O-N 3.11Å; A854-A857 PolarHBondContact O-N 3.24Å; A857-V859 PolarHBondContact O-N 3.14Å; A857-S860 WeakPolarHBondContact O-CB 3.19Å; A857-S860 PolarHBondContact O-N 2.74Å; A857-E861 WeakPolarHBondContact O-CG 3.47Å; A857-E861 PolarHBondContact O-N 3.35Å
858	C	98.8	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-48.1	177.2	-71.9	0	0	0	0	112.2	T827 L840 A854 S860 E861 L862	T827-C858 PolarHBondContact OG1-SG 3.45Å; L840-C858 HydrophobicContact CD2-CB 3.78Å; A854-C858 WeakPolarHBondContact O-CB 3.11Å; A854-C858 PolarHBondContact O-N 3.34Å; A854-C858 PolarHBondContact O-SG 3.08Å; C858-S860 VanDerWaalsContact C-N 3.34Å; C858-S860 PolarHBondContact O-N 3.46Å; C858-E861 PolarHBondContact O-N 3.19Å; C858-L862 VanDerWaalsContact O-CG 3.29Å; C858-L862 WeakPolarHBondContact O-CG 3.48Å; C858-L862 PolarHBondContact O-N 3.08Å
859	V	98.8	Very high	95.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-33.7	-179.7	173.7	0	0	0	0	112.1	L525 L558 L563 F664 S855 A857 L862 L863	L525-V859 HydrophobicContact CD2-CG1 4.25Å; L525-V859 HydrophobicContact CD2-CG2 3.91Å; L558-V859 HydrophobicContact CD1-CG2 4.12Å; L558-V859 HydrophobicContact CD2-CB 3.87Å; L558-V859 HydrophobicContact CD2-CG1 4.12Å; L558-V859 HydrophobicContact CD2-CG2 3.89Å; L563-V859 HydrophobicContact CB-CG1 4.12Å; L563-V859 HydrophobicContact CD1-CB 4.4Å; L563-V859 HydrophobicContact CD1-CG1 4.27Å; F664-V859 HydrophobicContact CB-CG2 3.91Å; F664-V859 HydrophobicContact CD2-CG2 4.46Å; F664-V859 HydrophobicContact CG-CG2 4.06Å; S855-V859 WeakPolarHBondContact O-CB 3.5Å; S855-V859 VanDerWaalsContact O-CG2 3.31Å; S855-V859 WeakPolarHBondContact O-CG2 3.11Å; S855-V859 PolarHBondContact O-N 3.32Å; A857-V859 PolarHBondContact O-N 3.14Å; V859-L862 PolarHBondContact O-N 2.98Å; V859-L863 HydrophobicContact CG1-CD1 4.22Å; V859-L863 WeakPolarHBondContact O-CG 3.45Å; V859-L863 PolarHBondContact O-N 3.21Å; V859-L863 VanDerWaalsContact O-N 3.11Å
860	S	98.3	Very high	95.6	Very high	19 Å²	19	32.5 Å²	32.5	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-45	174	-60.6	0	0	0	0	111.6	E856 A857 C858 L863 G864 M865	E856-S860 WeakPolarHBondContact O-CB 3.46Å; E856-S860 PolarHBondContact O-N 3.05Å; E856-S860 PolarHBondContact O-OG 3.03Å; A857-S860 WeakPolarHBondContact O-CB 3.19Å; A857-S860 PolarHBondContact O-N 2.74Å; C858-S860 VanDerWaalsContact C-N 3.34Å; C858-S860 PolarHBondContact O-N 3.46Å; S860-L863 PolarHBondContact O-N 3.04Å; S860-G864 PolarHBondContact O-N 3.47Å; S860-G864 VanDerWaalsContact O-N 3.07Å; S860-M865 WeakPolarHBondContact O-CB 3.32Å; S860-M865 PolarHBondContact O-N 3.14Å
861	E	98.1	Very high	95.3	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-68.1	-39.1	177.3	-66.6	-69.5	161.1	0	0	112.4	G824 T827 R828 M831 A857 C858 L863 G864 Q866 D867	G824-E861 WeakPolarHBondContact O-CG 3.45Å; T827-E861 HydrophobicContact CG2-CB 4.39Å; R828-E861 WeakPolarHBondContact CD-OE2 3.48Å; R828-E861 IonicContact CZ-OE1 2.92Å; R828-E861 IonicContact CZ-OE2 2.67Å; R828-E861 IonicContact NE-OE2 3.84Å; R828-E861 IonicContact NH1-OE1 2.83Å; R828-E861 PolarHBondContact NH1-OE1 3.38Å; R828-E861 IonicContact NH1-OE2 2.6Å; R828-E861 PolarHBondContact NH1-OE2 3.27Å; M831-E861 WeakPolarHBondContact CE-O 3.44Å; M831-E861 VanDerWaalsContact SD-O 3.38Å; A857-E861 WeakPolarHBondContact O-CG 3.47Å; A857-E861 PolarHBondContact O-N 3.35Å; C858-E861 PolarHBondContact O-N 3.19Å; E861-L863 VanDerWaalsContact C-N 3.27Å; E861-L863 PolarHBondContact O-N 3.09Å; E861-G864 WeakPolarHBondContact O-CA 3.38Å; E861-G864 PolarHBondContact O-N 3.13Å; E861-Q866 WeakPolarHBondContact OE1-CA 3.43Å; E861-D867 PolarHBondContact OE1-N 2.72Å
862	L	98.4	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-56.9	-41.6	173.5	-69.7	172.3	0	0	0	111.9	T523 K661 N662 F664 T827 M831 L838 L840 C858 V859 G864	T523-L862 HydrophobicContact CG2-CB 3.67Å; T523-L862 HydrophobicContact CG2-CD1 4Å; T523-L862 HydrophobicContact CG2-CG 4.45Å; T523-L862 PolarHBondContact OG1-O 3.35Å; K661-L862 PolarHBondContact NZ-O 2.94Å; N662-L862 HydrophobicContact CB-CD2 3.94Å; N662-L862 WeakPolarHBondContact ND2-CA 3.39Å; N662-L862 WeakPolarHBondContact ND2-CD2 3.49Å; N662-L862 PolarHBondContact ND2-O 3.12Å; F664-L862 HydrophobicContact CB-CD1 4.01Å; T827-L862 HydrophobicContact CG2-CD2 3.79Å; T827-L862 HydrophobicContact CG2-CG 3.92Å; M831-L862 HydrophobicContact CG-CD2 4.42Å; M831-L862 HydrophobicContact SD-CD2 4.02Å; L838-L862 HydrophobicContact CD2-CD2 3.98Å; L838-L862 HydrophobicContact CG-CD2 4.44Å; L840-L862 HydrophobicContact CD1-CD2 4.47Å; C858-L862 VanDerWaalsContact O-CG 3.29Å; C858-L862 WeakPolarHBondContact O-CG 3.48Å; C858-L862 PolarHBondContact O-N 3.08Å; V859-L862 PolarHBondContact O-N 2.98Å; L862-G864 VanDerWaalsContact C-N 3.27Å; L862-G864 PolarHBondContact O-N 2.93Å
863	L	98.1	Very high	94.9	Very high	33 Å²	33	45 Å²	45	17%	0.173	25%	0.253	C	S	.	.	H	α-helix	trans	-70.2	-19.8	173.6	-73.5	168.2	0	0	0	113.2	T523 L563 Q566 V859 S860 E861 M865	T523-L863 PolarHBondContact OG1-N 2.87Å; L563-L863 HydrophobicContact CB-CD1 4.4Å; L563-L863 HydrophobicContact CD2-CD1 4.02Å; Q566-L863 HydrophobicContact CB-CD1 3.94Å; Q566-L863 HydrophobicContact CB-CD2 3.89Å; V859-L863 HydrophobicContact CG1-CD1 4.22Å; V859-L863 WeakPolarHBondContact O-CG 3.45Å; V859-L863 PolarHBondContact O-N 3.21Å; V859-L863 VanDerWaalsContact O-N 3.11Å; S860-L863 PolarHBondContact O-N 3.04Å; E861-L863 VanDerWaalsContact C-N 3.27Å; E861-L863 PolarHBondContact O-N 3.09Å; L863-M865 HydrophobicContact CB-CG 4.42Å; L863-M865 HydrophobicContact CD1-SD 4.4Å
864	G	95.8	Very high	94.7	Very high	40 Å²	40	43.7 Å²	43.7	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	14	-177.4	0	0	0	0	0	114.6	S860 E861 L862 Q866	S860-G864 PolarHBondContact O-N 3.47Å; S860-G864 VanDerWaalsContact O-N 3.07Å; E861-G864 WeakPolarHBondContact O-CA 3.38Å; E861-G864 PolarHBondContact O-N 3.13Å; L862-G864 VanDerWaalsContact C-N 3.27Å; L862-G864 PolarHBondContact O-N 2.93Å; G864-Q866 PolarHBondContact O-N 2.75Å
865	M	91.8	Very high	94.6	Very high	92 Å²	92	48 Å²	48	45%	0.453	27%	0.269	S	S	.	.			trans	-78.8	68	173.4	-62.9	173.9	56.3	0	0	109.7	L563 Q566 S860 L863 D867	L563-M865 HydrophobicContact CD2-CE 4.17Å; L563-M865 HydrophobicContact CD2-SD 3.82Å; Q566-M865 PolarHBondContact NE2-SD 3.03Å; S860-M865 WeakPolarHBondContact O-CB 3.32Å; S860-M865 PolarHBondContact O-N 3.14Å; L863-M865 HydrophobicContact CB-CG 4.42Å; L863-M865 HydrophobicContact CD1-SD 4.4Å; M865-D867 PolarHBondContact O-N 3.5Å
866	Q	84.4	Confident	94.5	Very high	149 Å²	149	52.6 Å²	52.6	70%	0.696	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-58.7	122.5	-171.5	-65.2	-179.3	11.6	0	0	112.4	E861 G864	E861-Q866 WeakPolarHBondContact OE1-CA 3.43Å; G864-Q866 PolarHBondContact O-N 2.75Å
867	D	83.4	Confident	94.5	Very high	82 Å²	82	57.4 Å²	57.4	44%	0.439	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-103.3	147.4	170.7	-166.3	5.3	0	0	0	110.8	K821 R828 E861 M865	K821-D867 IonicContact NZ-OD1 2.6Å; K821-D867 PolarHBondContact NZ-OD1 2.86Å; K821-D867 IonicContact NZ-OD2 2.8Å; K821-D867 PolarHBondContact NZ-OD2 2.92Å; R828-D867 PolarHBondContact NH1-O 3.28Å; R828-D867 PolarHBondContact NH2-O 3.4Å; E861-D867 PolarHBondContact OE1-N 2.72Å; M865-D867 PolarHBondContact O-N 3.5Å
868	A	87.1	Confident	94.5	Very high	68 Å²	68	56.9 Å²	56.9	56%	0.562	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-87.2	138.7	179.7	0	0	0	0	0	110.7	K821	K821-A868 PolarHBondContact NZ-O 3.32Å
869	M	92.7	Very high	94.5	Very high	16 Å²	16	57.8 Å²	57.8	8%	0.079	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-71.3	145.2	166	-70.8	-61.3	-69.2	0	0	109.6	D774 L778 K821 C822 F825 V873 L874	D774-M869 HydrophobicContact CB-CE 4.24Å; D774-M869 VanDerWaalsContact OD2-CE 3.31Å; D774-M869 WeakPolarHBondContact OD2-CE 3.48Å; L778-M869 HydrophobicContact CD1-CE 4.34Å; K821-M869 VanDerWaalsContact C-SD 3.52Å; K821-M869 HydrophobicContact CB-SD 3.8Å; C822-M869 HydrophobicContact CB-CE 3.93Å; F825-M869 HydrophobicContact CB-CG 3.94Å; F825-M869 HydrophobicContact CB-SD 3.89Å; F825-M869 HydrophobicContact CD2-CG 3.41Å; F825-M869 VanDerWaalsContact CD2-CG 3.41Å; F825-M869 HydrophobicContact CD2-SD 4.48Å; F825-M869 HydrophobicContact CE2-CG 4.18Å; F825-M869 HydrophobicContact CG-CG 3.91Å; F825-M869 HydrophobicContact CG-SD 4.47Å; M869-V873 HydrophobicContact CE-CG1 3.82Å; M869-L874 HydrophobicContact CB-CD1 4.1Å; M869-L874 HydrophobicContact CB-CD2 3.81Å; M869-L874 HydrophobicContact CB-CG 3.89Å; M869-L874 HydrophobicContact CG-CD2 4.39Å
870	P	93.1	Very high	94.4	Very high	44 Å²	44	61.1 Å²	61.1	29%	0.286	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-59.1	139.3	174.6	-21.7	34.5	0	0	0	111.4	K821 D872 V873 L874	K821-P870 HydrophobicContact CD-CG 4.31Å; P870-D872 VanDerWaalsContact C-N 3.3Å; P870-D872 WeakPolarHBondContact CB-OD1 3.45Å; P870-D872 PolarHBondContact O-N 2.87Å; P870-V873 HydrophobicContact CB-CB 4.31Å; P870-V873 HydrophobicContact CB-CG2 4.06Å; P870-V873 HydrophobicContact CG-CG2 4.2Å; P870-V873 WeakPolarHBondContact O-CB 3.49Å; P870-V873 PolarHBondContact O-N 3.09Å; P870-L874 PolarHBondContact O-N 3.35Å; P870-L874 VanDerWaalsContact O-N 3.1Å
871	E	93	Very high	94.4	Very high	145 Å²	145	61 Å²	61	68%	0.678	34%	0.336	S	S	*	.	H	α-helix	trans	-65.1	-35.9	-175.6	-173.5	177.4	-174	0	0	111.9	V873 L874 L875	E871-V873 VanDerWaalsContact C-N 3.33Å; E871-V873 PolarHBondContact O-N 3.04Å; E871-L874 PolarHBondContact O-N 3.36Å; E871-L875 HydrophobicContact CG-CD1 3.96Å; E871-L875 HydrophobicContact CG-CG 4.36Å; E871-L875 WeakPolarHBondContact O-CB 3.5Å; E871-L875 VanDerWaalsContact O-CG 3.25Å; E871-L875 WeakPolarHBondContact O-CG 3.47Å; E871-L875 PolarHBondContact O-N 3.41Å
872	D	93.8	Very high	94.5	Very high	114 Å²	114	60.7 Å²	60.7	61%	0.61	33%	0.334	S	S	*	.	H	α-helix	trans	-58.7	-41.2	173	56.1	-56.7	0	0	0	112.3	P870 L875 Q876	P870-D872 VanDerWaalsContact C-N 3.3Å; P870-D872 WeakPolarHBondContact CB-OD1 3.45Å; P870-D872 PolarHBondContact O-N 2.87Å; D872-L875 PolarHBondContact O-N 3Å; D872-Q876 WeakPolarHBondContact O-CB 3.25Å; D872-Q876 PolarHBondContact O-N 3.03Å
873	V	93.9	Very high	94.5	Very high	17 Å²	17	61.8 Å²	61.8	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-67.4	-39.9	174.3	172.1	0	0	0	0	111.6	D774 L778 M869 P870 E871 L875 Q876	D774-V873 HydrophobicContact CB-CG1 3.37Å; L778-V873 HydrophobicContact CD1-CG1 4.12Å; M869-V873 HydrophobicContact CE-CG1 3.82Å; P870-V873 HydrophobicContact CB-CB 4.31Å; P870-V873 HydrophobicContact CB-CG2 4.06Å; P870-V873 HydrophobicContact CG-CG2 4.2Å; P870-V873 WeakPolarHBondContact O-CB 3.49Å; P870-V873 PolarHBondContact O-N 3.09Å; E871-V873 VanDerWaalsContact C-N 3.33Å; E871-V873 PolarHBondContact O-N 3.04Å; V873-L875 VanDerWaalsContact C-N 3.29Å; V873-L875 PolarHBondContact O-N 3.44Å; V873-Q876 PolarHBondContact O-N 2.94Å
874	L	94.8	Very high	94.5	Very high	33 Å²	33	67.3 Å²	67.3	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-70.7	-25.6	177.1	-63.2	177.4	0	0	0	112.9	L778 M869 P870 E871 Y911 V912	L778-L874 HydrophobicContact CD1-CD2 4.06Å; M869-L874 HydrophobicContact CB-CD1 4.1Å; M869-L874 HydrophobicContact CB-CD2 3.81Å; M869-L874 HydrophobicContact CB-CG 3.89Å; M869-L874 HydrophobicContact CG-CD2 4.39Å; P870-L874 PolarHBondContact O-N 3.35Å; P870-L874 VanDerWaalsContact O-N 3.1Å; E871-L874 PolarHBondContact O-N 3.36Å; L874-Y911 HydrophobicContact CD2-CD1 3.92Å; L874-Y911 HydrophobicContact CD2-CG 3.94Å; L874-Y911 PolarHBondContact O-N 2.89Å; L874-V912 HydrophobicContact CB-CG2 3.86Å; L874-V912 PolarHBondContact O-N 2.89Å
875	L	96.4	Very high	94.6	Very high	91 Å²	91	65.9 Å²	65.9	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-85.9	-21.2	174.2	-70.5	172.1	0	0	0	113.4	E871 D872 V873 S910 V912	E871-L875 HydrophobicContact CG-CD1 3.96Å; E871-L875 HydrophobicContact CG-CG 4.36Å; E871-L875 WeakPolarHBondContact O-CB 3.5Å; E871-L875 VanDerWaalsContact O-CG 3.25Å; E871-L875 WeakPolarHBondContact O-CG 3.47Å; E871-L875 PolarHBondContact O-N 3.41Å; D872-L875 PolarHBondContact O-N 3Å; V873-L875 VanDerWaalsContact C-N 3.29Å; V873-L875 PolarHBondContact O-N 3.44Å; L875-S910 VanDerWaalsContact C-CB 3.42Å; L875-S910 WeakPolarHBondContact O-CB 3.4Å; L875-S910 PolarHBondContact O-OG 3.33Å; L875-V912 HydrophobicContact CD2-CB 4.18Å; L875-V912 HydrophobicContact CD2-CG2 4.12Å
876	Q	97.3	Very high	94.9	Very high	96 Å²	96	61.5 Å²	61.5	45%	0.449	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-63.8	137.4	175.4	-177	178	-16.3	0	0	111.4	A775 D872 V873 S910	A775-Q876 HydrophobicContact CB-CB 4Å; A775-Q876 HydrophobicContact CB-CG 3.68Å; D872-Q876 WeakPolarHBondContact O-CB 3.25Å; D872-Q876 PolarHBondContact O-N 3.03Å; V873-Q876 PolarHBondContact O-N 2.94Å; Q876-S910 VanDerWaalsContact C-CB 3.48Å; Q876-S910 VanDerWaalsContact O-CA 3.28Å; Q876-S910 WeakPolarHBondContact O-CA 3.44Å; Q876-S910 WeakPolarHBondContact O-CB 3.31Å
877	K	97.9	Very high	95.6	Very high	139 Å²	139	58.9 Å²	58.9	60%	0.604	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-88.4	144.3	172.4	-63.7	-179.8	-178.1	178.3	0	110
878	P	98.2	Very high	96.3	Very high	9 Å²	9	58 Å²	58	6%	0.058	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-60.5	143.3	169.6	28.3	-36.3	0	0	0	110.7	E776 A779 A882 V883 V907 R909	E776-P878 HydrophobicContact CG-CB 4.13Å; E776-P878 WeakPolarHBondContact OE1-CA 3.5Å; A779-P878 HydrophobicContact CB-CB 3.91Å; A779-P878 HydrophobicContact CB-CG 3.76Å; P878-A882 HydrophobicContact CB-CB 4.35Å; P878-V883 HydrophobicContact CB-CG2 4.2Å; P878-V883 HydrophobicContact CG-CG2 3.83Å; P878-V907 WeakPolarHBondContact CG-O 3.49Å; P878-R909 WeakPolarHBondContact CD-O 3.47Å
879	N	98.3	Very high	96.9	Very high	19 Å²	19	54.8 Å²	54.8	10%	0.102	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-67.9	165.4	-179.3	75.3	68.6	0	0	0	113.3	P770 M772 E776 N881 A882 V883	P770-N879 HydrophobicContact CG-CB 3.67Å; M772-N879 PolarHBondContact SD-ND2 3.03Å; E776-N879 VanDerWaalsContact CD-ND2 3.28Å; E776-N879 VanDerWaalsContact CG-ND2 3.33Å; E776-N879 WeakPolarHBondContact CG-ND2 3.35Å; E776-N879 WeakPolarHBondContact OE1-CB 3.49Å; E776-N879 PolarHBondContact OE1-N 3.5Å; E776-N879 PolarHBondContact OE1-ND2 3.45Å; N879-N881 VanDerWaalsContact C-N 3.27Å; N879-N881 PolarHBondContact O-N 2.95Å; N879-N881 WeakPolarHBondContact OD1-CA 3.49Å; N879-N881 VanDerWaalsContact OD1-CB 3.3Å; N879-N881 WeakPolarHBondContact OD1-CB 3.45Å; N879-N881 PolarHBondContact OD1-N 3.25Å; N879-A882 PolarHBondContact O-N 3.05Å; N879-A882 PolarHBondContact OD1-N 3.04Å; N879-A882 VanDerWaalsContact OD1-N 3.08Å; N879-V883 WeakPolarHBondContact O-CG2 3.22Å; N879-V883 PolarHBondContact O-N 3.2Å
880	A	98.2	Very high	97.1	Very high	69 Å²	69	54.3 Å²	54.3	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-64.4	-24.5	-174.1	0	0	0	0	0	114.7	R884	A880-R884 WeakPolarHBondContact O-CB 3.49Å; A880-R884 VanDerWaalsContact O-CG 3.3Å; A880-R884 WeakPolarHBondContact O-CG 3.41Å; A880-R884 PolarHBondContact O-N 3.11Å; A880-R884 VanDerWaalsContact O-N 3.16Å; A880-R884 PolarHBondContact O-NE 3.47Å
881	N	98.4	Very high	97.4	Very high	18 Å²	18	59 Å²	59	10%	0.096	30%	0.296	C	S	.	.	H	α-helix	trans	-77	-43	177	-61.2	-19.1	0	0	0	110.3	G766 E769 M772 N879 R884 S885	G766-N881 PolarHBondContact O-ND2 3.1Å; E769-N881 PolarHBondContact O-ND2 3.1Å; M772-N881 HydrophobicContact CE-CB 3.99Å; N879-N881 VanDerWaalsContact C-N 3.27Å; N879-N881 PolarHBondContact O-N 2.95Å; N879-N881 WeakPolarHBondContact OD1-CA 3.49Å; N879-N881 VanDerWaalsContact OD1-CB 3.3Å; N879-N881 WeakPolarHBondContact OD1-CB 3.45Å; N879-N881 PolarHBondContact OD1-N 3.25Å; N881-R884 PolarHBondContact O-N 3.1Å; N881-R884 PolarHBondContact OD1-NH2 3.35Å; N881-S885 WeakPolarHBondContact O-CB 3.43Å; N881-S885 PolarHBondContact O-N 2.9Å; N881-S885 PolarHBondContact O-OG 3.45Å
882	A	98.5	Very high	97.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-44.3	171.8	0	0	0	0	0	112.7	W764 M772 E776 P878 N879 R884 S885 L886	W764-A882 HydrophobicContact CE3-CB 4.09Å; W764-A882 HydrophobicContact CH2-CB 4.17Å; W764-A882 HydrophobicContact CZ3-CB 3.48Å; W764-A882 VanDerWaalsContact CZ3-CB 3.48Å; M772-A882 HydrophobicContact CE-CB 4.24Å; M772-A882 HydrophobicContact SD-CB 3.83Å; E776-A882 HydrophobicContact CB-CB 3.88Å; E776-A882 HydrophobicContact CG-CB 3.29Å; P878-A882 HydrophobicContact CB-CB 4.35Å; N879-A882 PolarHBondContact O-N 3.05Å; N879-A882 PolarHBondContact OD1-N 3.04Å; N879-A882 VanDerWaalsContact OD1-N 3.08Å; A882-R884 PolarHBondContact O-N 3Å; A882-S885 PolarHBondContact O-N 2.83Å; A882-L886 WeakPolarHBondContact O-CB 3.34Å; A882-L886 WeakPolarHBondContact O-CG 3.31Å; A882-L886 PolarHBondContact O-N 2.88Å
883	V	98.4	Very high	97.9	Very high	23 Å²	23	48 Å²	48	14%	0.139	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-43.9	177.6	173.7	0	0	0	0	111.2	P878 N879 Q887 V907	P878-V883 HydrophobicContact CB-CG2 4.2Å; P878-V883 HydrophobicContact CG-CG2 3.83Å; N879-V883 WeakPolarHBondContact O-CG2 3.22Å; N879-V883 PolarHBondContact O-N 3.2Å; V883-Q887 HydrophobicContact CG1-CG 4.45Å; V883-Q887 WeakPolarHBondContact O-CB 3.48Å; V883-Q887 VanDerWaalsContact O-CG 3.23Å; V883-Q887 WeakPolarHBondContact O-CG 3.17Å; V883-Q887 PolarHBondContact O-N 3.37Å; V883-V907 HydrophobicContact CB-CG1 4.37Å; V883-V907 HydrophobicContact CG1-CG1 4.13Å; V883-V907 HydrophobicContact CG2-CG1 4.33Å
884	R	98.3	Very high	98	Very high	150 Å²	150	48.6 Å²	48.6	57%	0.566	25%	0.247	S	C	*	.	H	α-helix	trans	-62.3	-48.6	174.2	-74.9	-174.2	-65.2	159.1	-1.2	112	A880 N881 A882 L886 Q887 T888	A880-R884 WeakPolarHBondContact O-CB 3.49Å; A880-R884 VanDerWaalsContact O-CG 3.3Å; A880-R884 WeakPolarHBondContact O-CG 3.41Å; A880-R884 PolarHBondContact O-N 3.11Å; A880-R884 VanDerWaalsContact O-N 3.16Å; A880-R884 PolarHBondContact O-NE 3.47Å; N881-R884 PolarHBondContact O-N 3.1Å; N881-R884 PolarHBondContact OD1-NH2 3.35Å; A882-R884 PolarHBondContact O-N 3Å; R884-L886 VanDerWaalsContact C-N 3.34Å; R884-L886 PolarHBondContact O-N 3.03Å; R884-Q887 PolarHBondContact O-N 3.07Å; R884-Q887 VanDerWaalsContact O-N 3.14Å; R884-T888 PolarHBondContact O-N 3.26Å; R884-T888 PolarHBondContact O-OG1 2.92Å
885	S	98.6	Very high	98.2	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-55	-49.4	178.4	-55.4	0	0	0	0	111.2	T765 N881 A882 Q887 T888 V889	T765-S885 PolarHBondContact N-OG 3.46Å; T765-S885 VanDerWaalsContact N-OG 3.1Å; T765-S885 PolarHBondContact O-OG 2.95Å; N881-S885 WeakPolarHBondContact O-CB 3.43Å; N881-S885 PolarHBondContact O-N 2.9Å; N881-S885 PolarHBondContact O-OG 3.45Å; A882-S885 PolarHBondContact O-N 2.83Å; S885-Q887 PolarHBondContact O-N 3.38Å; S885-T888 PolarHBondContact O-N 3.31Å; S885-V889 VanDerWaalsContact O-CG2 3.27Å; S885-V889 WeakPolarHBondContact O-CG2 3.47Å; S885-V889 PolarHBondContact O-N 3.43Å
886	L	98.7	Very high	98.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-33.4	178.4	-70	173	0	0	0	113.2	I762 W764 A779 A780 V784 A882 R884 V889 I890 V907	I762-L886 HydrophobicContact CG2-CD2 3.74Å; W764-L886 HydrophobicContact CH2-CD1 3.98Å; W764-L886 HydrophobicContact CH2-CD2 4.14Å; W764-L886 HydrophobicContact CH2-CG 4.01Å; W764-L886 HydrophobicContact CZ3-CD1 4.12Å; W764-L886 HydrophobicContact CZ3-CD2 4.25Å; W764-L886 HydrophobicContact CZ3-CG 3.82Å; A779-L886 HydrophobicContact CB-CD1 4.02Å; A780-L886 HydrophobicContact CB-CD1 4.34Å; A780-L886 HydrophobicContact CB-CD2 3.78Å; V784-L886 HydrophobicContact CG2-CD2 3.87Å; A882-L886 WeakPolarHBondContact O-CB 3.34Å; A882-L886 WeakPolarHBondContact O-CG 3.31Å; A882-L886 PolarHBondContact O-N 2.88Å; R884-L886 VanDerWaalsContact C-N 3.34Å; R884-L886 PolarHBondContact O-N 3.03Å; L886-V889 PolarHBondContact O-N 2.97Å; L886-I890 WeakPolarHBondContact O-CB 3.48Å; L886-I890 WeakPolarHBondContact O-CD1 3.31Å; L886-I890 WeakPolarHBondContact O-CG1 3.3Å; L886-I890 PolarHBondContact O-N 3.28Å; L886-V907 HydrophobicContact CB-CG1 3.6Å; L886-V907 HydrophobicContact CD1-CG1 3.85Å; L886-V907 HydrophobicContact CG-CG1 4.39Å
887	Q	98.3	Very high	98.3	Very high	94 Å²	94	48.9 Å²	48.9	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-45.5	174.3	-78.8	173.4	-35.2	0	0	111.7	V883 R884 S885 V889 I890 E891 V907	V883-Q887 HydrophobicContact CG1-CG 4.45Å; V883-Q887 WeakPolarHBondContact O-CB 3.48Å; V883-Q887 VanDerWaalsContact O-CG 3.23Å; V883-Q887 WeakPolarHBondContact O-CG 3.17Å; V883-Q887 PolarHBondContact O-N 3.37Å; R884-Q887 PolarHBondContact O-N 3.07Å; R884-Q887 VanDerWaalsContact O-N 3.14Å; S885-Q887 PolarHBondContact O-N 3.38Å; Q887-V889 VanDerWaalsContact C-N 3.35Å; Q887-V889 PolarHBondContact O-N 3.03Å; Q887-I890 PolarHBondContact O-N 2.91Å; Q887-E891 WeakPolarHBondContact O-CB 3.38Å; Q887-E891 PolarHBondContact O-N 3.27Å; Q887-V907 HydrophobicContact CG-CG2 4.35Å
888	T	98.4	Very high	98.2	Very high	62 Å²	62	47.1 Å²	47.1	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-42.5	174.6	-60.8	0	0	0	0	111.9	P747 R884 S885 E891 I892	P747-T888 HydrophobicContact CB-CG2 4.31Å; R884-T888 PolarHBondContact O-N 3.26Å; R884-T888 PolarHBondContact O-OG1 2.92Å; S885-T888 PolarHBondContact O-N 3.31Å; T888-E891 PolarHBondContact O-N 3.39Å; T888-I892 HydrophobicContact CG2-CD1 3.99Å; T888-I892 WeakPolarHBondContact O-CG1 3.3Å; T888-I892 PolarHBondContact O-N 3.13Å; T888-I892 VanDerWaalsContact O-N 3.09Å
889	V	98.7	Very high	98.1	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-43.4	176.8	175.4	0	0	0	0	111.4	P747 V760 N761 I762 V784 S885 L886 Q887 Q893	P747-V889 HydrophobicContact CB-CG2 4.13Å; P747-V889 HydrophobicContact CG-CG2 4.33Å; V760-V889 HydrophobicContact CG1-CG1 4.39Å; N761-V889 VanDerWaalsContact O-CG2 3.32Å; N761-V889 WeakPolarHBondContact O-CG2 3.35Å; I762-V889 HydrophobicContact CG1-CG1 4.19Å; V784-V889 HydrophobicContact CG1-CG1 3.96Å; V784-V889 HydrophobicContact CG2-CG1 4.28Å; S885-V889 VanDerWaalsContact O-CG2 3.27Å; S885-V889 WeakPolarHBondContact O-CG2 3.47Å; S885-V889 PolarHBondContact O-N 3.43Å; L886-V889 PolarHBondContact O-N 2.97Å; Q887-V889 VanDerWaalsContact C-N 3.35Å; Q887-V889 PolarHBondContact O-N 3.03Å; V889-Q893 HydrophobicContact CG1-CG 4.1Å; V889-Q893 WeakPolarHBondContact O-CB 3.22Å; V889-Q893 VanDerWaalsContact O-CG 3.23Å; V889-Q893 WeakPolarHBondContact O-CG 3.44Å; V889-Q893 PolarHBondContact O-N 2.87Å
890	I	98.5	Very high	97.9	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-40.9	177.1	-70.7	166.4	0	0	0	111.1	V784 L886 Q887 S894 V900 V907	V784-I890 HydrophobicContact CG2-CD1 4.18Å; V784-I890 HydrophobicContact CG2-CG1 3.77Å; L886-I890 WeakPolarHBondContact O-CB 3.48Å; L886-I890 WeakPolarHBondContact O-CD1 3.31Å; L886-I890 WeakPolarHBondContact O-CG1 3.3Å; L886-I890 PolarHBondContact O-N 3.28Å; Q887-I890 PolarHBondContact O-N 2.91Å; I890-S894 WeakPolarHBondContact O-CB 3.23Å; I890-S894 PolarHBondContact O-N 2.76Å; I890-S894 PolarHBondContact O-OG 3.01Å; I890-V900 HydrophobicContact CG1-CB 4.33Å; I890-V900 HydrophobicContact CG2-CB 4.22Å; I890-V900 HydrophobicContact CG2-CG2 4.37Å; I890-V907 HydrophobicContact CD1-CG2 3.5Å; I890-V907 VanDerWaalsContact CD1-CG2 3.5Å
891	E	98.1	Very high	97.6	Very high	141 Å²	141	48.3 Å²	48.3	66%	0.659	23%	0.23	S	C	*	.	H	α-helix	trans	-57.3	-52.3	176.6	-179	172	-161.1	0	0	111.1	Q887 T888 S894	Q887-E891 WeakPolarHBondContact O-CB 3.38Å; Q887-E891 PolarHBondContact O-N 3.27Å; T888-E891 PolarHBondContact O-N 3.39Å; E891-S894 PolarHBondContact O-OG 2.75Å
892	I	98.6	Very high	97.1	Very high	29 Å²	29	51 Å²	51	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-53.9	177.8	-65.2	166.7	0	0	0	110.9	P747 T748 V750 T888 S894 Q895	P747-I892 HydrophobicContact CB-CD1 3.71Å; T748-I892 HydrophobicContact CG2-CD1 4.05Å; V750-I892 HydrophobicContact CG1-CG2 3.47Å; V750-I892 VanDerWaalsContact CG1-CG2 3.47Å; T888-I892 HydrophobicContact CG2-CD1 3.99Å; T888-I892 WeakPolarHBondContact O-CG1 3.3Å; T888-I892 PolarHBondContact O-N 3.13Å; T888-I892 VanDerWaalsContact O-N 3.09Å; I892-S894 PolarHBondContact O-N 3.5Å; I892-Q895 WeakPolarHBondContact O-CB 3.49Å; I892-Q895 WeakPolarHBondContact O-CG 3.45Å; I892-Q895 PolarHBondContact O-N 3.39Å
893	Q	98.4	Very high	96.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-70.7	-18.2	-173.3	-66.6	-67.9	-15.3	0	0	113.5	N759 V760 I788 V889 Q895 Y896 W897 V900	N759-Q893 PolarHBondContact O-NE2 2.99Å; V760-Q893 HydrophobicContact CG1-CG 4.16Å; I788-Q893 HydrophobicContact CD1-CB 4.34Å; V889-Q893 HydrophobicContact CG1-CG 4.1Å; V889-Q893 WeakPolarHBondContact O-CB 3.22Å; V889-Q893 VanDerWaalsContact O-CG 3.23Å; V889-Q893 WeakPolarHBondContact O-CG 3.44Å; V889-Q893 PolarHBondContact O-N 2.87Å; Q893-Q895 PolarHBondContact O-N 3.31Å; Q893-Q895 VanDerWaalsContact O-N 3.15Å; Q893-Y896 PolarHBondContact O-N 2.91Å; Q893-W897 PolarHBondContact O-N 3.46Å; Q893-V900 HydrophobicContact CB-CG2 4.46Å
894	S	97.8	Very high	96	Very high	29 Å²	29	54.8 Å²	54.8	20%	0.203	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.5	173.5	76.7	0	0	0	0	114.3	I890 E891 I892 Y896 K901	I890-S894 WeakPolarHBondContact O-CB 3.23Å; I890-S894 PolarHBondContact O-N 2.76Å; I890-S894 PolarHBondContact O-OG 3.01Å; E891-S894 PolarHBondContact O-OG 2.75Å; I892-S894 PolarHBondContact O-N 3.5Å; S894-Y896 VanDerWaalsContact C-N 3.31Å; S894-K901 WeakPolarHBondContact O-CE 3.26Å; S894-K901 PolarHBondContact O-NZ 2.92Å
895	Q	97.8	Very high	95.4	Very high	140 Å²	140	50.9 Å²	50.9	65%	0.654	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.4	173.2	-61.9	-178.8	58.6	0	0	111.3	I892 Q893	I892-Q895 WeakPolarHBondContact O-CB 3.49Å; I892-Q895 WeakPolarHBondContact O-CG 3.45Å; I892-Q895 PolarHBondContact O-N 3.39Å; Q893-Q895 PolarHBondContact O-N 3.31Å; Q893-Q895 VanDerWaalsContact O-N 3.15Å
896	Y	98.3	Very high	95	Very high	68 Å²	68	50.6 Å²	50.6	27%	0.267	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-44.6	-174.9	-50	-76.2	0	0	0	112.2	V750 E756 G757 Q893 S894	V750-Y896 HydrophobicContact CB-CE2 4.13Å; V750-Y896 HydrophobicContact CG1-CE2 4.16Å; V750-Y896 HydrophobicContact CG2-CE2 4.2Å; E756-Y896 HydrophobicContact CB-CE1 4.46Å; E756-Y896 HydrophobicContact CG-CE1 3.76Å; E756-Y896 VanDerWaalsContact OE1-CE1 3.31Å; E756-Y896 WeakPolarHBondContact OE1-CE1 3.3Å; E756-Y896 PolarHBondContact OE1-OH 3.46Å; G757-Y896 VanDerWaalsContact CA-CG 3.47Å; Q893-Y896 PolarHBondContact O-N 2.91Å; S894-Y896 VanDerWaalsContact C-N 3.31Å
897	W	98.1	Very high	94.8	Very high	18 Å²	18	50.6 Å²	50.6	7%	0.068	28%	0.282	C	S	.	.			trans	-109.6	130.8	-172.6	-56	98.8	0	0	0	111.5	L728 G757 F758 I788 E791 F792 Q893 V900	L728-W897 HydrophobicContact CD1-CZ2 4.3Å; G757-W897 PolarHBondContact O-NE1 2.96Å; F758-W897 HydrophobicContact CD1-CH2 4.26Å; F758-W897 HydrophobicContact CD1-CZ2 4.16Å; F758-W897 AromaticContact CE1-CH2 3.91Å; F758-W897 HydrophobicContact CE1-CH2 3.91Å; F758-W897 HydrophobicContact CE1-CZ2 4.18Å; F758-W897 HydrophobicContact CZ-CH2 4.44Å; I788-W897 HydrophobicContact CB-CD2 4.49Å; I788-W897 HydrophobicContact CD1-CG 4.19Å; I788-W897 HydrophobicContact CG1-CB 4.13Å; I788-W897 HydrophobicContact CG1-CD2 4.37Å; I788-W897 HydrophobicContact CG1-CG 3.92Å; I788-W897 HydrophobicContact CG2-CD2 3.69Å; I788-W897 HydrophobicContact CG2-CE3 4.07Å; I788-W897 HydrophobicContact CG2-CG 4.09Å; I788-W897 HydrophobicContact CG2-CH2 4.37Å; I788-W897 HydrophobicContact CG2-CZ2 4.01Å; I788-W897 HydrophobicContact CG2-CZ3 4.39Å; E791-W897 HydrophobicContact CB-CE3 3.98Å; E791-W897 HydrophobicContact CB-CZ3 4.25Å; E791-W897 HydrophobicContact CG-CE3 3.84Å; E791-W897 HydrophobicContact CG-CZ3 4.18Å; F792-W897 HydrophobicContact CB-CH2 3.93Å; F792-W897 HydrophobicContact CB-CZ3 4.02Å; F792-W897 HydrophobicContact CD2-CH2 4.06Å; F792-W897 HydrophobicContact CG-CH2 4.42Å; Q893-W897 PolarHBondContact O-N 3.46Å; W897-V900 HydrophobicContact CB-CG2 4.34Å
898	Q	95.6	Very high	94.6	Very high	102 Å²	102	47.9 Å²	47.9	48%	0.477	28%	0.279	S	S	.	.	S	Bend	trans	-84.5	-29.6	179.7	-54.4	-45.8	-65.6	0	0	112	E791 V900 K901	E791-Q898 PolarHBondContact OE1-N 3.37Å; E791-Q898 PolarHBondContact OE2-N 2.96Å; E791-Q898 VanDerWaalsContact OE2-N 3.12Å; Q898-V900 VanDerWaalsContact C-N 3.3Å; Q898-V900 PolarHBondContact O-N 3.32Å; Q898-K901 WeakPolarHBondContact O-CB 3.33Å; Q898-K901 PolarHBondContact O-N 2.9Å; Q898-K901 VanDerWaalsContact O-N 3.17Å
899	S	95.3	Very high	94.5	Very high	30 Å²	30	49.3 Å²	49.3	21%	0.21	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.9	-178.2	58.4	0	0	0	0	114	P787 E791 K901 H903	P787-S899 VanDerWaalsContact C-OG 3.23Å; P787-S899 PolarHBondContact O-OG 2.97Å; E791-S899 WeakPolarHBondContact OE2-CB 3.43Å; E791-S899 PolarHBondContact OE2-N 3.39Å; E791-S899 PolarHBondContact OE2-OG 3.05Å; S899-K901 VanDerWaalsContact C-N 3.33Å; S899-K901 PolarHBondContact O-N 3.23Å; S899-H903 PolarHBondContact O-CE1 3.36Å; S899-H903 PolarHBondContact O-ND1 2.92Å
900	V	95.3	Very high	94.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22.8	-179.5	-62.6	0	0	0	0	113.8	P787 I788 I890 Q893 W897 Q898 A902 H903 S904	P787-V900 HydrophobicContact CB-CG1 4.38Å; I788-V900 HydrophobicContact CD1-CG1 3.84Å; I788-V900 HydrophobicContact CG1-CG1 3.53Å; I890-V900 HydrophobicContact CG1-CB 4.33Å; I890-V900 HydrophobicContact CG2-CB 4.22Å; I890-V900 HydrophobicContact CG2-CG2 4.37Å; Q893-V900 HydrophobicContact CB-CG2 4.46Å; W897-V900 HydrophobicContact CB-CG2 4.34Å; Q898-V900 VanDerWaalsContact C-N 3.3Å; Q898-V900 PolarHBondContact O-N 3.32Å; V900-A902 VanDerWaalsContact C-N 3.35Å; V900-A902 PolarHBondContact O-N 3.3Å; V900-H903 PolarHBondContact O-N 3.48Å; V900-S904 PolarHBondContact O-N 3.47Å
901	K	92.4	Very high	94.2	Very high	91 Å²	91	51.5 Å²	51.5	40%	0.396	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-59.7	-43.3	-175.7	-70.6	179.6	178.9	172.9	0	112.7	S894 Q898 S899 H903 S904	S894-K901 WeakPolarHBondContact O-CE 3.26Å; S894-K901 PolarHBondContact O-NZ 2.92Å; Q898-K901 WeakPolarHBondContact O-CB 3.33Å; Q898-K901 PolarHBondContact O-N 2.9Å; Q898-K901 VanDerWaalsContact O-N 3.17Å; S899-K901 VanDerWaalsContact C-N 3.33Å; S899-K901 PolarHBondContact O-N 3.23Å; K901-H903 PolarHBondContact O-N 3.44Å; K901-S904 WeakPolarHBondContact O-CB 3.28Å; K901-S904 PolarHBondContact O-N 3.29Å; K901-S904 PolarHBondContact O-OG 2.93Å
902	A	87.3	Confident	94	Very high	75 Å²	75	47.1 Å²	47.1	62%	0.62	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.6	177.9	0	0	0	0	0	113.2	V900	V900-A902 VanDerWaalsContact C-N 3.35Å; V900-A902 PolarHBondContact O-N 3.3Å
903	H	88.1	Confident	93.6	Very high	40 Å²	40	47.7 Å²	47.7	19%	0.185	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-88.4	-14.7	-174.2	-62.3	90.6	0	0	0	113.8	S899 V900 K901 G905 S906 V907	S899-H903 PolarHBondContact O-CE1 3.36Å; S899-H903 PolarHBondContact O-ND1 2.92Å; V900-H903 PolarHBondContact O-N 3.48Å; K901-H903 PolarHBondContact O-N 3.44Å; H903-G905 VanDerWaalsContact C-N 3.3Å; H903-G905 PolarHBondContact O-N 3.46Å; H903-S906 PolarHBondContact O-N 3.33Å; H903-S906 PolarHBondContact O-OG 3.23Å; H903-V907 WeakPolarHBondContact O-CG2 3.45Å; H903-V907 PolarHBondContact O-N 2.95Å
904	S	86.3	Confident	93.2	Very high	63 Å²	63	47.6 Å²	47.6	44%	0.441	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-44.9	177.9	58.1	0	0	0	0	113.9	V900 K901 S906	V900-S904 PolarHBondContact O-N 3.47Å; K901-S904 WeakPolarHBondContact O-CB 3.28Å; K901-S904 PolarHBondContact O-N 3.29Å; K901-S904 PolarHBondContact O-OG 2.93Å; S904-S906 VanDerWaalsContact C-N 3.34Å; S904-S906 PolarHBondContact O-N 3Å
905	G	85.8	Confident	92.6	Very high	68 Å²	68	51.8 Å²	51.8	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.8	177.6	0	0	0	0	0	115.5	H903	H903-G905 VanDerWaalsContact C-N 3.3Å; H903-G905 PolarHBondContact O-N 3.46Å
906	S	90.4	Very high	91.8	Very high	3 Å²	3	48 Å²	48	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-2.2	-177.8	79.9	0	0	0	0	114.4	R782 H903 S904 G908 R909	R782-S906 PolarHBondContact NH1-O 3.45Å; R782-S906 PolarHBondContact NH1-OG 3.23Å; R782-S906 PolarHBondContact NH2-O 3.34Å; H903-S906 PolarHBondContact O-N 3.33Å; H903-S906 PolarHBondContact O-OG 3.23Å; S904-S906 VanDerWaalsContact C-N 3.34Å; S904-S906 PolarHBondContact O-N 3Å; S906-G908 PolarHBondContact O-N 3.05Å; S906-R909 WeakPolarHBondContact O-CB 3.39Å; S906-R909 PolarHBondContact O-N 3.46Å
907	V	93.2	Very high	90.8	Very high	1 Å²	1	47 Å²	47	1%	0.006	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-56.4	-179.1	-176	0	0	0	0	112.2	R782 P878 V883 L886 Q887 I890 H903 R909	R782-V907 PolarHBondContact NH2-O 3.32Å; P878-V907 WeakPolarHBondContact CG-O 3.49Å; V883-V907 HydrophobicContact CB-CG1 4.37Å; V883-V907 HydrophobicContact CG1-CG1 4.13Å; V883-V907 HydrophobicContact CG2-CG1 4.33Å; L886-V907 HydrophobicContact CB-CG1 3.6Å; L886-V907 HydrophobicContact CD1-CG1 3.85Å; L886-V907 HydrophobicContact CG-CG1 4.39Å; Q887-V907 HydrophobicContact CG-CG2 4.35Å; I890-V907 HydrophobicContact CD1-CG2 3.5Å; I890-V907 VanDerWaalsContact CD1-CG2 3.5Å; H903-V907 WeakPolarHBondContact O-CG2 3.45Å; H903-V907 PolarHBondContact O-N 2.95Å; V907-R909 PolarHBondContact O-N 2.92Å
908	G	95.3	Very high	89.7	Confident	37 Å²	37	48.7 Å²	48.7	38%	0.381	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	17.3	-177.8	0	0	0	0	0	116.5	S906	S906-G908 PolarHBondContact O-N 3.05Å
909	R	96.1	Very high	88.4	Confident	91 Å²	91	47 Å²	47	34%	0.343	29%	0.29	S	S	.	.	S	Bend	trans	-96.6	144.5	174	-60.9	-177.8	176.9	-131.6	3.2	110.4	R782 P878 S906 V907 A913 A914	R782-R909 PolarHBondContact NH2-O 2.71Å; P878-R909 WeakPolarHBondContact CD-O 3.47Å; S906-R909 WeakPolarHBondContact O-CB 3.39Å; S906-R909 PolarHBondContact O-N 3.46Å; V907-R909 PolarHBondContact O-N 2.92Å; R909-A913 HydrophobicContact CB-CB 4.47Å; R909-A913 WeakPolarHBondContact CD-O 3.39Å; R909-A913 PolarHBondContact NH1-O 2.88Å; R909-A914 HydrophobicContact CB-CB 4.22Å
910	S	96.4	Very high	87.4	Confident	7 Å²	7	52 Å²	52	5%	0.049	31%	0.31	C	S	.	.			trans	-63.9	163.8	165.9	56.9	0	0	0	0	111	L875 Q876 V912 A913 A914	L875-S910 VanDerWaalsContact C-CB 3.42Å; L875-S910 WeakPolarHBondContact O-CB 3.4Å; L875-S910 PolarHBondContact O-OG 3.33Å; Q876-S910 VanDerWaalsContact C-CB 3.48Å; Q876-S910 VanDerWaalsContact O-CA 3.28Å; Q876-S910 WeakPolarHBondContact O-CA 3.44Å; Q876-S910 WeakPolarHBondContact O-CB 3.31Å; S910-V912 PolarHBondContact O-N 3.25Å; S910-A913 PolarHBondContact O-N 3.36Å; S910-A913 WeakPolarHBondContact OG-CB 3.41Å; S910-A914 PolarHBondContact O-N 3.38Å
911	Y	94.1	Very high	86.3	Confident	48 Å²	48	57.1 Å²	57.1	19%	0.188	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-49.4	-174.2	-170.9	-84.7	0	0	0	111.7	L778 F825 L874 A913 A914 Q915	L778-Y911 HydrophobicContact CB-CD2 4.34Å; L778-Y911 HydrophobicContact CD2-CD2 4.46Å; F825-Y911 HydrophobicContact CE1-CE2 4.14Å; F825-Y911 HydrophobicContact CZ-CE1 4.49Å; F825-Y911 AromaticContact CZ-CE2 3.84Å; F825-Y911 HydrophobicContact CZ-CE2 3.84Å; F825-Y911 AromaticContact CZ-CZ 3.76Å; L874-Y911 HydrophobicContact CD2-CD1 3.92Å; L874-Y911 HydrophobicContact CD2-CG 3.94Å; L874-Y911 PolarHBondContact O-N 2.89Å; Y911-A913 PolarHBondContact O-N 3.5Å; Y911-A914 PolarHBondContact O-N 3.17Å; Y911-Q915 PolarHBondContact O-N 2.92Å
912	V	92.9	Very high	85.5	Confident	48 Å²	48	56.5 Å²	56.5	29%	0.291	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-46.1	177.4	-175.7	0	0	0	0	111.5	L874 L875 S910 A914 Q915 S916	L874-V912 HydrophobicContact CB-CG2 3.86Å; L874-V912 PolarHBondContact O-N 2.89Å; L875-V912 HydrophobicContact CD2-CB 4.18Å; L875-V912 HydrophobicContact CD2-CG2 4.12Å; S910-V912 PolarHBondContact O-N 3.25Å; V912-A914 PolarHBondContact O-N 2.7Å; V912-Q915 PolarHBondContact O-N 3.42Å; V912-Q915 VanDerWaalsContact O-N 3.14Å; V912-S916 PolarHBondContact O-N 2.79Å; V912-S916 PolarHBondContact O-OG 3.14Å
913	A	91.8	Very high	84.9	Confident	41 Å²	41	57.2 Å²	57.2	34%	0.339	33%	0.331	S	S	.	.	H	α-helix	trans	-72.3	-13.2	-175.6	0	0	0	0	0	114.4	R909 S910 Y911	R909-A913 HydrophobicContact CB-CB 4.47Å; R909-A913 WeakPolarHBondContact CD-O 3.39Å; R909-A913 PolarHBondContact NH1-O 2.88Å; S910-A913 PolarHBondContact O-N 3.36Å; S910-A913 WeakPolarHBondContact OG-CB 3.41Å; Y911-A913 PolarHBondContact O-N 3.5Å
914	A	89.8	Confident	84.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-81.5	-55.8	163	0	0	0	0	0	110.4	R782 R909 S910 Y911 V912 S916 K917 D918	R782-A914 VanDerWaalsContact CD-CB 3.5Å; R782-A914 VanDerWaalsContact CZ-CB 3.43Å; R909-A914 HydrophobicContact CB-CB 4.22Å; S910-A914 PolarHBondContact O-N 3.38Å; Y911-A914 PolarHBondContact O-N 3.17Å; V912-A914 PolarHBondContact O-N 2.7Å; A914-S916 VanDerWaalsContact C-N 3.29Å; A914-S916 PolarHBondContact O-N 2.9Å; A914-K917 WeakPolarHBondContact O-CA 3.29Å; A914-K917 PolarHBondContact O-N 3.06Å; A914-D918 VanDerWaalsContact O-CG 3.27Å; A914-D918 PolarHBondContact O-N 2.9Å
915	Q	84.2	Confident	83.8	Confident	116 Å²	116	58.9 Å²	58.9	54%	0.542	35%	0.346	S	S	.	.	H	α-helix	trans	-53.8	-40.6	-177.3	-170.5	178	22.5	0	0	113.4	Y911 V912 K917 D918 C919	Y911-Q915 PolarHBondContact O-N 2.92Å; V912-Q915 PolarHBondContact O-N 3.42Å; V912-Q915 VanDerWaalsContact O-N 3.14Å; Q915-K917 PolarHBondContact O-N 3.41Å; Q915-D918 PolarHBondContact O-N 3.3Å; Q915-C919 WeakPolarHBondContact O-CB 3.39Å; Q915-C919 PolarHBondContact O-N 3.31Å
916	S	81.1	Confident	83.3	Confident	61 Å²	61	59.8 Å²	59.8	43%	0.427	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-40	175.2	-56.2	0	0	0	0	112.8	V912 A914 C919 E920	V912-S916 PolarHBondContact O-N 2.79Å; V912-S916 PolarHBondContact O-OG 3.14Å; A914-S916 VanDerWaalsContact C-N 3.29Å; A914-S916 PolarHBondContact O-N 2.9Å; S916-C919 WeakPolarHBondContact O-CB 3.44Å; S916-C919 PolarHBondContact O-N 3.13Å; S916-E920 WeakPolarHBondContact O-CG 3.24Å; S916-E920 PolarHBondContact O-N 2.89Å
917	K	78	Confident	82.6	Confident	46 Å²	46	62.1 Å²	62.1	20%	0.2	35%	0.354	C	S	.	.	H	α-helix	trans	-73.4	-34.4	179.4	175.2	-95.1	170.1	-163.5	0	111.7	A914 Q915 C919 E920 E921	A914-K917 WeakPolarHBondContact O-CA 3.29Å; A914-K917 PolarHBondContact O-N 3.06Å; Q915-K917 PolarHBondContact O-N 3.41Å; K917-C919 VanDerWaalsContact C-N 3.3Å; K917-E920 PolarHBondContact O-N 3.48Å; K917-E921 WeakPolarHBondContact CE-OE2 3.3Å; K917-E921 IonicContact NZ-OE2 3.86Å; K917-E921 PolarHBondContact NZ-OE2 2.96Å; K917-E921 WeakPolarHBondContact O-CB 3.42Å; K917-E921 PolarHBondContact O-N 3Å
918	D	74.6	Confident	81.9	Confident	54 Å²	54	67.6 Å²	67.6	29%	0.289	38%	0.383	S	S	.	.	H	α-helix	trans	-70.9	-31.3	176	-54.9	-30.1	0	0	0	110.4	A914 Q915 T922	A914-D918 VanDerWaalsContact O-CG 3.27Å; A914-D918 PolarHBondContact O-N 2.9Å; Q915-D918 PolarHBondContact O-N 3.3Å; D918-T922 VanDerWaalsContact O-CB 3.3Å; D918-T922 WeakPolarHBondContact O-CB 3.36Å; D918-T922 PolarHBondContact O-N 3.34Å; D918-T922 PolarHBondContact O-OG1 2.85Å
919	C	68.6	Low	80.9	Confident	68 Å²	68	68.2 Å²	68.2	46%	0.459	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-53	166.7	-164.8	0	0	0	0	112	Q915 S916 K917 E921 T922 D923	Q915-C919 WeakPolarHBondContact O-CB 3.39Å; Q915-C919 PolarHBondContact O-N 3.31Å; S916-C919 WeakPolarHBondContact O-CB 3.44Å; S916-C919 PolarHBondContact O-N 3.13Å; K917-C919 VanDerWaalsContact C-N 3.3Å; C919-E921 VanDerWaalsContact C-N 3.27Å; C919-E921 PolarHBondContact O-N 3.38Å; C919-T922 PolarHBondContact O-N 3.23Å; C919-T922 VanDerWaalsContact O-N 3.1Å; C919-D923 WeakPolarHBondContact O-CB 3.45Å; C919-D923 PolarHBondContact O-N 3.4Å; C919-D923 PolarHBondContact SG-OD2 3.48Å; C919-D923 VanDerWaalsContact SG-OD2 3.34Å
920	E	73	Confident	79.9	Confident	134 Å²	134	67.9 Å²	67.9	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-54.9	-41.1	178	-74.8	170.5	169.5	0	0	112.3	S916 K917 A924	S916-E920 WeakPolarHBondContact O-CG 3.24Å; S916-E920 PolarHBondContact O-N 2.89Å; K917-E920 PolarHBondContact O-N 3.48Å; E920-A924 VanDerWaalsContact O-CB 3.28Å; E920-A924 WeakPolarHBondContact O-CB 3.39Å; E920-A924 PolarHBondContact O-N 3.33Å
921	E	72.9	Confident	78.7	Confident	107 Å²	107	73.4 Å²	73.4	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-71.4	-39	178.1	-167.1	164.9	145.9	0	0	111.9	K917 C919 A924 V925	K917-E921 WeakPolarHBondContact CE-OE2 3.3Å; K917-E921 IonicContact NZ-OE2 3.86Å; K917-E921 PolarHBondContact NZ-OE2 2.96Å; K917-E921 WeakPolarHBondContact O-CB 3.42Å; K917-E921 PolarHBondContact O-N 3Å; C919-E921 VanDerWaalsContact C-N 3.27Å; C919-E921 PolarHBondContact O-N 3.38Å; E921-A924 PolarHBondContact O-N 3.12Å; E921-V925 VanDerWaalsContact O-CG2 3.31Å; E921-V925 WeakPolarHBondContact O-CG2 3.46Å; E921-V925 PolarHBondContact O-N 3.49Å
922	T	75.4	Confident	77.1	Confident	78 Å²	78	75.1 Å²	75.1	48%	0.479	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-43.5	174.1	-59.8	0	0	0	0	111.7	D918 C919 V925 N926	D918-T922 VanDerWaalsContact O-CB 3.3Å; D918-T922 WeakPolarHBondContact O-CB 3.36Å; D918-T922 PolarHBondContact O-N 3.34Å; D918-T922 PolarHBondContact O-OG1 2.85Å; C919-T922 PolarHBondContact O-N 3.23Å; C919-T922 VanDerWaalsContact O-N 3.1Å; T922-V925 PolarHBondContact O-N 2.92Å; T922-N926 WeakPolarHBondContact O-CB 3.39Å; T922-N926 PolarHBondContact O-N 2.95Å; T922-N926 PolarHBondContact O-ND2 3.49Å
923	D	75.1	Confident	75.4	Confident	90 Å²	90	78.2 Å²	78.2	48%	0.481	46%	0.463	S	S	.	.	H	α-helix	trans	-66.3	-38.5	177.2	-72.1	-34.1	0	0	0	111.6	C919 N926 A927	C919-D923 WeakPolarHBondContact O-CB 3.45Å; C919-D923 PolarHBondContact O-N 3.4Å; C919-D923 PolarHBondContact SG-OD2 3.48Å; C919-D923 VanDerWaalsContact SG-OD2 3.34Å; D923-N926 PolarHBondContact O-N 2.96Å; D923-A927 VanDerWaalsContact O-CB 3.31Å; D923-A927 WeakPolarHBondContact O-CB 3.48Å; D923-A927 PolarHBondContact O-N 2.97Å
924	A	73.8	Confident	73.4	Confident	49 Å²	49	79.1 Å²	79.1	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-43.6	172.4	0	0	0	0	0	112.2	E920 E921 A927 L928	E920-A924 VanDerWaalsContact O-CB 3.28Å; E920-A924 WeakPolarHBondContact O-CB 3.39Å; E920-A924 PolarHBondContact O-N 3.33Å; E921-A924 PolarHBondContact O-N 3.12Å; A924-A927 PolarHBondContact O-N 3.49Å; A924-L928 WeakPolarHBondContact O-CB 3.44Å; A924-L928 VanDerWaalsContact O-CG 3.28Å; A924-L928 WeakPolarHBondContact O-CG 3.37Å; A924-L928 PolarHBondContact O-N 2.92Å
925	V	77.6	Confident	71.4	Confident	89 Å²	89	85 Å²	85	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-42.9	175	169.3	0	0	0	0	111.3	E921 T922 A927 L928 A929	E921-V925 VanDerWaalsContact O-CG2 3.31Å; E921-V925 WeakPolarHBondContact O-CG2 3.46Å; E921-V925 PolarHBondContact O-N 3.49Å; T922-V925 PolarHBondContact O-N 2.92Å; V925-A927 VanDerWaalsContact C-N 3.35Å; V925-A927 PolarHBondContact O-N 3.26Å; V925-L928 PolarHBondContact O-N 3.21Å; V925-A929 WeakPolarHBondContact O-CB 3.42Å; V925-A929 PolarHBondContact O-N 3.06Å
926	N	74	Confident	69.7	Low	87 Å²	87	86.6 Å²	86.6	47%	0.465	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-39.6	175.9	-74.3	-29.4	0	0	0	112.1	T922 D923 S930	T922-N926 WeakPolarHBondContact O-CB 3.39Å; T922-N926 PolarHBondContact O-N 2.95Å; T922-N926 PolarHBondContact O-ND2 3.49Å; D923-N926 PolarHBondContact O-N 2.96Å; N926-S930 WeakPolarHBondContact O-CB 3.41Å; N926-S930 PolarHBondContact O-N 2.92Å; N926-S930 PolarHBondContact O-OG 3.43Å
927	A	76.6	Confident	68.3	Low	52 Å²	52	88.5 Å²	88.5	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-65.9	-45	174.8	0	0	0	0	0	111.9	D923 A924 V925 S930 L931	D923-A927 VanDerWaalsContact O-CB 3.31Å; D923-A927 WeakPolarHBondContact O-CB 3.48Å; D923-A927 PolarHBondContact O-N 2.97Å; A924-A927 PolarHBondContact O-N 3.49Å; V925-A927 VanDerWaalsContact C-N 3.35Å; V925-A927 PolarHBondContact O-N 3.26Å; A927-S930 PolarHBondContact O-N 3.21Å; A927-L931 WeakPolarHBondContact O-CG 3.4Å; A927-L931 PolarHBondContact O-N 3.45Å
928	L	78	Confident	66.8	Low	116 Å²	116	93.9 Å²	93.9	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-63.7	-40.9	175.9	-72.1	169.1	0	0	0	112.3	A924 V925 L931 S932	A924-L928 WeakPolarHBondContact O-CB 3.44Å; A924-L928 VanDerWaalsContact O-CG 3.28Å; A924-L928 WeakPolarHBondContact O-CG 3.37Å; A924-L928 PolarHBondContact O-N 2.92Å; V925-L928 PolarHBondContact O-N 3.21Å; L928-L931 PolarHBondContact O-N 3.4Å; L928-S932 PolarHBondContact O-N 3.4Å
929	A	75.8	Confident	65.3	Low	51 Å²	51	101.4 Å²	101.4	42%	0.421	60%	0.596	S	S	.	*	H	α-helix	trans	-62.1	-44.2	173.6	0	0	0	0	0	111.7	V925 L931 S932 V933	V925-A929 WeakPolarHBondContact O-CB 3.42Å; V925-A929 PolarHBondContact O-N 3.06Å; A929-L931 VanDerWaalsContact C-N 3.33Å; A929-L931 PolarHBondContact O-N 3.45Å; A929-S932 WeakPolarHBondContact O-CB 3.31Å; A929-S932 PolarHBondContact O-N 2.97Å; A929-S932 VanDerWaalsContact O-N 3.13Å; A929-V933 PolarHBondContact O-N 3.45Å; A929-V933 VanDerWaalsContact O-N 3.08Å
930	S	75.1	Confident	63.8	Low	84 Å²	84	110 Å²	110	59%	0.587	62%	0.619	S	S	*	*	H	α-helix	trans	-61.5	-39.4	176.3	-59.4	0	0	0	0	112.3	N926 A927 G934	N926-S930 WeakPolarHBondContact O-CB 3.41Å; N926-S930 PolarHBondContact O-N 2.92Å; N926-S930 PolarHBondContact O-OG 3.43Å; A927-S930 PolarHBondContact O-N 3.21Å; S930-G934 PolarHBondContact O-N 3.28Å
931	L	70	Confident	62.1	Low	123 Å²	123	111.7 Å²	111.7	64%	0.644	63%	0.632	S	S	*	*	H	α-helix	trans	-66	-37	173.5	-71.1	167.7	0	0	0	112.4	A927 L928 A929 G934	A927-L931 WeakPolarHBondContact O-CG 3.4Å; A927-L931 PolarHBondContact O-N 3.45Å; L928-L931 PolarHBondContact O-N 3.4Å; A929-L931 VanDerWaalsContact C-N 3.33Å; A929-L931 PolarHBondContact O-N 3.45Å; L931-G934 PolarHBondContact O-N 3.07Å
932	S	59.8	Low	60.6	Low	84 Å²	84	114.8 Å²	114.8	59%	0.587	65%	0.651	S	S	*	*	H	α-helix	trans	-65.3	-41.2	177.6	-167.7	0	0	0	0	112.6	L928 A929 G934 V935	L928-S932 PolarHBondContact O-N 3.4Å; A929-S932 WeakPolarHBondContact O-CB 3.31Å; A929-S932 PolarHBondContact O-N 2.97Å; A929-S932 VanDerWaalsContact O-N 3.13Å; S932-G934 VanDerWaalsContact C-N 3.29Å; S932-G934 PolarHBondContact O-N 3.3Å; S932-V935 PolarHBondContact O-N 2.75Å
933	V	58.1	Low	58.7	Low	113 Å²	113	118.7 Å²	118.7	69%	0.685	67%	0.669	S	S	*	*	H	α-helix	trans	-65.6	-32.8	176.4	176.8	0	0	0	0	111.8	A929 V935 I936	A929-V933 PolarHBondContact O-N 3.45Å; A929-V933 VanDerWaalsContact O-N 3.08Å; V933-V935 PolarHBondContact O-N 3.28Å; V933-V935 VanDerWaalsContact O-N 3.09Å; V933-I936 PolarHBondContact O-N 3.22Å
934	G	49.5	Very low	56.8	Low	60 Å²	60	122.9 Å²	122.9	62%	0.619	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-12.6	179.3	0	0	0	0	0	116	S930 L931 S932	S930-G934 PolarHBondContact O-N 3.28Å; L931-G934 PolarHBondContact O-N 3.07Å; S932-G934 VanDerWaalsContact C-N 3.29Å; S932-G934 PolarHBondContact O-N 3.3Å
935	V	48.5	Very low	55.3	Low	123 Å²	123	126.4 Å²	126.4	75%	0.745	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-17.7	-176.7	-176.2	0	0	0	0	112.9	S932 V933 S937	S932-V935 PolarHBondContact O-N 2.75Å; V933-V935 PolarHBondContact O-N 3.28Å; V933-V935 VanDerWaalsContact O-N 3.09Å; V935-S937 PolarHBondContact O-N 3.35Å
936	I	48.8	Very low	53.3	Low	150 Å²	150	130.8 Å²	130.8	77%	0.769	72%	0.721	S	S	*	*	S	Bend	trans	-103.9	47.9	-177.6	-41.2	-176.1	0	0	0	111.6	V933	V933-I936 PolarHBondContact O-N 3.22Å
937	S	50.7	Low	51.8	Low	101 Å²	101	133.6 Å²	133.6	71%	0.706	74%	0.736	S	S	*	*	S	Bend	trans	-155.6	60.2	170.4	-81.3	0	0	0	0	113.7	V935	V935-S937 PolarHBondContact O-N 3.35Å
938	N	46.9	Very low	50	Low	159 Å²	159	139.5 Å²	139.5	85%	0.85	75%	0.754	S	S	*	*			trans	-172.8	92.2	141.7	-102.4	-36	0	0	0	113.3
939	K	44	Very low	48.1	Very low	211 Å²	211	141.6 Å²	141.6	92%	0.917	76%	0.761	S	S	*	*			trans	-174.1	73.8	149.8	-107.7	168	-176	177.7	0	111.2
940	R	35.7	Very low	46.4	Very low	249 Å²	249	144.2 Å²	144.2	94%	0.94	78%	0.776	S	S	*	*			trans	-110.1	155.8	145.6	-86.5	-170.4	173.2	-175.3	-1.4	108.4
941	L	38	Very low	44.7	Very low	170 Å²	170	147.4 Å²	147.4	89%	0.89	79%	0.787	S	S	*	*			trans	-75.5	156.4	-163.3	-70.1	147.1	0	0	0	111.8
942	L	40.8	Very low	43.3	Very low	172 Å²	172	146.4 Å²	146.4	90%	0.901	79%	0.79	S	S	*	*			trans	-64.3	135.1	155	-75.3	149.9	0	0	0	108
943	D	35.9	Very low	42.2	Very low	159 Å²	159	154.7 Å²	154.7	85%	0.85	82%	0.823	S	S	*	*			trans	-132.6	141	159.1	-120.5	-30.1	0	0	0	106.4
944	E	35.9	Very low	41.4	Very low	179 Å²	179	156.8 Å²	156.8	84%	0.836	83%	0.83	S	S	*	*			trans	-83.5	149.3	-174.3	-67.8	-173.2	124.6	0	0	112	M946	E944-M946 PolarHBondContact O-N 3.49Å
945	P	42.3	Very low	41	Very low	123 Å²	123	161.9 Å²	161.9	80%	0.799	84%	0.841	S	S	*	*			trans	-75.4	113.3	168.3	31.1	-31.1	0	0	0	109.7
946	M	34.7	Very low	40.6	Very low	180 Å²	180	164.1 Å²	164.1	89%	0.887	85%	0.846	S	S	*	*			trans	-93.9	126.2	156.5	-71.6	-140.4	-54.8	0	0	109.6	E944	E944-M946 PolarHBondContact O-N 3.49Å
947	D	42.6	Very low	40.1	Very low	147 Å²	147	164.9 Å²	164.9	79%	0.786	85%	0.85	S	S	*	*			trans	-65.6	139.7	163	-65.3	-61.5	0	0	0	110.3
948	H	38.3	Very low	39.4	Very low	176 Å²	176	168.9 Å²	168.9	82%	0.815	86%	0.86	S	S	*	*				-169.5	170.4	126.4	-105.4	-66.8	0	0	0	111.9
949	E	39.5	Very low	38.9	Very low	159 Å²	159	169.5 Å²	169.5	74%	0.743	86%	0.86	S	S	*	*			trans	-90.2	172.4	-155.3	-59.4	149.5	98.8	0	0	115.6
950	S	38.5	Very low	38.6	Very low	106 Å²	106	166.6 Å²	166.6	74%	0.741	86%	0.856	S	S	*	*			trans	94.2	133.7	138.7	71.3	0	0	0	0	121.9
951	D	40	Very low	38.8	Very low	152 Å²	152	160.2 Å²	160.2	81%	0.813	85%	0.85	S	S	*	*			trans	68.6	114.5	143.4	-68	6.5	0	0	0	124.5
952	S	41.3	Very low	38.9	Very low	102 Å²	102	159.4 Å²	159.4	71%	0.713	85%	0.846	S	S	*	*				63.7	107.6	120.4	-167.8	0	0	0	0	118.4
953	M	36.6	Very low	38.7	Very low	258 Å²	258	158.3 Å²	158.3	100%	1.271	84%	0.841	S	S	*	*				-154.6	0	52.5	-87.7	-160.7	153.3	0	0	113.9

Retrieved 953 of 953 residues in 378.7 ms (Link to these results)

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