A0A087Y113_POEFO Loading...

Leucine rich repeat containing G protein-coupled receptor 5

Receptor for R-spondins that potentiates the canonical Wnt signaling pathway and acts as a stem cell marker of the intestinal epithelium and the hair follicle. Upon binding to R-spondins (RSPO1, RSPO2, RSPO3 or RSPO4), associates with phosphorylated LRP6 and frizzled receptors that are activated by extracellular Wnt receptors, triggering the canonical Wnt signaling pathway to increase expression of target genes. In contrast to classical G-protein coupled receptors, does not activate heterotrimeric G-proteins to transduce the signal. Involved in the development and/or maintenance of the adult intestinal stem cells during postembryonic development.

AlphaFold DB , UniProt , Accession A0A087Y113, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 927 aa.

						>A0A087Y113_POEFO|A0A087Y113
MRGFEALLTVLAVFSVGLWSSEAGVRMQKAAAAAGNSSGDSREESSRAAGHATCPGRCRCEGDGLLHRVDCSDLGLREIPSNLSVFTSYLDLSMNNLTVMTSGALSNLHFLEELRLAGNDLSFIPRGAFSGLYNLKVLMLQNNQLRSVPAEAFTNLHNLQSLRLDANHISGVPPGCFFGLRSLRHLWLDDNALTEVPVKALGELPTLQAMTLALNHIAHIPDHAFSKLGRLVVLHLNNNRIVSMGNNCFHGLHSLETLDLNYNSLVEFPTAIRSLSHLKELGFHSNSIQSIPERAFTGNPSLISLLFYDNPIQSVGRSAFQNLPELRTLSLNGAAELAEFPDLSGTKGLESLTITGARITSLPSSMCEQLPNLQLLDLSYNKIQTLPSFTGCESIQKIDLHHNEIEELRENTFTGLMTLRSLDLSWNRLSSVKPNSFFALTSLSKLDLSSNQLSSLPLTGLQSLTHIRLVGNDQLMELIPREDLPRVRVMELPYAFQCCAFISCEKRGEGGLSWEREEAADSTARDAPFLSSQVDQDWDDFLMEFEDEPKPQHSVHCSPTPGPFRPCLRLLGSWMIRGGVWLIAATSLVSNGLVVLSVFFSPASIVTTPKLLIGLLALVNGLMGVWSSWLAAVDAWTFGSFWRYGVKWESSFLCRLSGFLCVFASQTGLFLLTVAALERCLSAAGATQSSKAGRSSGGSSSPLFIRLSIFLCFLLGFVITLPPLMAGHSSSSFCLPLPSSSSSSSSLAFAVSLVLFDSLCFLVMTLAYTRLYCRASKAPPNSDDDVALTRHVAWLLFSDCLLYLPVAFLSFSSLLRLPAAGPEAAKGVLLLVTPLPACVNPLLYLLFNPLARGELAALAARACRGAAASKLQRRGVTGGRPLDSTYDEDAEKQSCDSTQALVVVEGVKEEEEQRSKTQQSLSAAQRR
					

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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	31.9	Very low	34.3	Very low	211 Å²	211	108.4 Å²	108.4	100%	1.039	58%	0.578	S	S	*	*				0	-55.3	0	-68.9	-127.9	-109.1	0	0	111.8	G3 F4 E5	M1-G3 PolarHBondContact O-N 3.11Å; M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-N 3.1Å; M1-E5 PolarHBondContact O-N 3.26Å
2	R	27.5	Very low	34.4	Very low	226 Å²	226	103.3 Å²	103.3	85%	0.853	56%	0.562	S	S	*	*	H	α-helix	trans	-59.2	-31.5	-179.7	-70.5	-177.2	177.7	172.5	-0.9	116.8	A6	R2-A6 PolarHBondContact O-N 3.12Å
3	G	34.6	Very low	34.7	Very low	64 Å²	64	104.2 Å²	104.2	66%	0.66	57%	0.572	S	S	*	*	H	α-helix	trans	-76.5	-19.2	176.2	0	0	0	0	0	115.1	M1	M1-G3 PolarHBondContact O-N 3.11Å
4	F	31.9	Very low	34.7	Very low	66 Å²	66	107 Å²	107	29%	0.289	58%	0.576	S	S	.	*	H	α-helix	trans	-88.4	-31.9	178.7	-161.1	-102.9	0	0	0	110.9	M1 A6 L7 L8 W794	M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-N 3.1Å; F4-A6 VanDerWaalsContact C-N 3.31Å; F4-A6 PolarHBondContact O-N 2.95Å; F4-L7 PolarHBondContact O-N 2.81Å; F4-L8 HydrophobicContact CD1-CD1 3.54Å; F4-L8 HydrophobicContact CD1-CG 4.46Å; F4-L8 HydrophobicContact CE1-CD1 3.59Å; F4-L8 HydrophobicContact CE1-CG 4.37Å; F4-L8 WeakPolarHBondContact O-CB 3.41Å; F4-L8 PolarHBondContact O-N 3.14Å; F4-W794 AromaticContact CE1-CH2 3.99Å; F4-W794 HydrophobicContact CE1-CH2 3.99Å; F4-W794 AromaticContact CE1-CZ3 3.66Å; F4-W794 HydrophobicContact CE1-CZ3 3.66Å; F4-W794 HydrophobicContact CE2-CZ3 4.16Å; F4-W794 HydrophobicContact CZ-CE3 4.1Å; F4-W794 HydrophobicContact CZ-CH2 4.18Å; F4-W794 AromaticContact CZ-CZ3 3.43Å; F4-W794 HydrophobicContact CZ-CZ3 3.43Å; F4-W794 VanDerWaalsContact CZ-CZ3 3.43Å
5	E	32.8	Very low	34.5	Very low	126 Å²	126	105.2 Å²	105.2	59%	0.589	58%	0.575	S	S	*	*	H	α-helix	trans	-63	-35	169.2	-76.7	-178.2	149.6	0	0	112.5	M1 L8 T9	M1-E5 PolarHBondContact O-N 3.26Å; E5-L8 PolarHBondContact O-N 3.5Å; E5-T9 WeakPolarHBondContact O-CB 3.48Å; E5-T9 PolarHBondContact O-N 3.4Å; E5-T9 PolarHBondContact O-OG1 3.31Å
6	A	34.8	Very low	34.4	Very low	53 Å²	53	105.9 Å²	105.9	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-67.1	-36.7	174.9	0	0	0	0	0	112.7	R2 F4 T9 V10	R2-A6 PolarHBondContact O-N 3.12Å; F4-A6 VanDerWaalsContact C-N 3.31Å; F4-A6 PolarHBondContact O-N 2.95Å; A6-T9 VanDerWaalsContact CA-OG1 3.27Å; A6-T9 WeakPolarHBondContact CA-OG1 3.38Å; A6-T9 PolarHBondContact O-OG1 3.17Å; A6-T9 VanDerWaalsContact O-OG1 3.11Å; A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.46Å; A6-V10 PolarHBondContact O-N 3.43Å; A6-V10 VanDerWaalsContact O-N 3.17Å
7	L	35.3	Very low	34.3	Very low	95 Å²	95	104 Å²	104	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-72.6	-39.4	176.5	-159.8	84.7	0	0	0	111.4	F4 V10 L11	F4-L7 PolarHBondContact O-N 2.81Å; L7-V10 PolarHBondContact O-N 2.94Å; L7-L11 WeakPolarHBondContact O-CG 3.41Å; L7-L11 PolarHBondContact O-N 3.49Å; L7-L11 VanDerWaalsContact O-N 3.09Å
8	L	36.1	Very low	34.2	Very low	88 Å²	88	105.8 Å²	105.8	46%	0.461	60%	0.6	S	S	.	*	H	α-helix	trans	-68.6	-33.6	174.9	-87.3	158.5	0	0	0	112.8	F4 E5 L11 A12	F4-L8 HydrophobicContact CD1-CD1 3.54Å; F4-L8 HydrophobicContact CD1-CG 4.46Å; F4-L8 HydrophobicContact CE1-CD1 3.59Å; F4-L8 HydrophobicContact CE1-CG 4.37Å; F4-L8 WeakPolarHBondContact O-CB 3.41Å; F4-L8 PolarHBondContact O-N 3.14Å; E5-L8 PolarHBondContact O-N 3.5Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-A12 VanDerWaalsContact O-CB 3.22Å; L8-A12 WeakPolarHBondContact O-CB 3.37Å; L8-A12 PolarHBondContact O-N 2.86Å
9	T	37.4	Very low	33.9	Very low	82 Å²	82	112.7 Å²	112.7	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-72.6	-36	174.9	33.2	0	0	0	0	112.1	E5 A6 L11 A12 V13	E5-T9 WeakPolarHBondContact O-CB 3.48Å; E5-T9 PolarHBondContact O-N 3.4Å; E5-T9 PolarHBondContact O-OG1 3.31Å; A6-T9 VanDerWaalsContact CA-OG1 3.27Å; A6-T9 WeakPolarHBondContact CA-OG1 3.38Å; A6-T9 PolarHBondContact O-OG1 3.17Å; A6-T9 VanDerWaalsContact O-OG1 3.11Å; T9-L11 VanDerWaalsContact C-N 3.34Å; T9-A12 PolarHBondContact O-N 2.96Å; T9-V13 VanDerWaalsContact O-CG2 3.24Å; T9-V13 WeakPolarHBondContact O-CG2 3.3Å; T9-V13 PolarHBondContact O-N 3.3Å
10	V	39.3	Very low	33.5	Very low	93 Å²	93	113.4 Å²	113.4	56%	0.564	63%	0.629	S	S	*	*	H	α-helix	trans	-66	-36.6	172.1	172.7	0	0	0	0	111.7	A6 L7 F14	A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.46Å; A6-V10 PolarHBondContact O-N 3.43Å; A6-V10 VanDerWaalsContact O-N 3.17Å; L7-V10 PolarHBondContact O-N 2.94Å; V10-F14 PolarHBondContact O-N 2.89Å
11	L	36	Very low	33.2	Very low	88 Å²	88	113.1 Å²	113.1	46%	0.461	64%	0.635	S	S	.	*	H	α-helix	trans	-73.2	-34.8	174.2	-74.1	165.1	0	0	0	113.2	L7 L8 T9 F14 S15	L7-L11 WeakPolarHBondContact O-CG 3.41Å; L7-L11 PolarHBondContact O-N 3.49Å; L7-L11 VanDerWaalsContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 3.43Å; T9-L11 VanDerWaalsContact C-N 3.34Å; L11-F14 PolarHBondContact O-N 3.34Å; L11-S15 PolarHBondContact O-N 3.33Å; L11-S15 PolarHBondContact O-OG 3.44Å
12	A	34.9	Very low	32.9	Very low	47 Å²	47	112.1 Å²	112.1	39%	0.388	63%	0.628	S	S	.	*	H	α-helix	trans	-68.7	-36.5	175.1	0	0	0	0	0	112.3	L8 T9 F14 S15 V16	L8-A12 VanDerWaalsContact O-CB 3.22Å; L8-A12 WeakPolarHBondContact O-CB 3.37Å; L8-A12 PolarHBondContact O-N 2.86Å; T9-A12 PolarHBondContact O-N 2.96Å; A12-F14 VanDerWaalsContact C-N 3.29Å; A12-F14 PolarHBondContact O-N 2.88Å; A12-S15 PolarHBondContact O-N 3.33Å; A12-S15 VanDerWaalsContact O-N 3.1Å; A12-V16 VanDerWaalsContact O-CG2 3.28Å; A12-V16 WeakPolarHBondContact O-CG2 3.5Å; A12-V16 PolarHBondContact O-N 2.91Å; A12-V16 VanDerWaalsContact O-N 3.14Å
13	V	38.2	Very low	32.8	Very low	115 Å²	115	106.7 Å²	106.7	70%	0.697	63%	0.632	S	S	*	*	H	α-helix	trans	-66.4	-30.9	175.9	171.1	0	0	0	0	111.9	T9 S15	T9-V13 VanDerWaalsContact O-CG2 3.24Å; T9-V13 WeakPolarHBondContact O-CG2 3.3Å; T9-V13 PolarHBondContact O-N 3.3Å; V13-S15 VanDerWaalsContact C-N 3.34Å
14	F	35.2	Very low	32.4	Very low	144 Å²	144	107.2 Å²	107.2	63%	0.632	64%	0.637	S	S	*	*	H	α-helix	trans	-74.6	-21.4	171.9	-99.1	-85.3	0	0	0	114.1	V10 L11 A12 M575	V10-F14 PolarHBondContact O-N 2.89Å; L11-F14 PolarHBondContact O-N 3.34Å; A12-F14 VanDerWaalsContact C-N 3.29Å; A12-F14 PolarHBondContact O-N 2.88Å; F14-M575 HydrophobicContact CE1-CE 4.41Å; F14-M575 HydrophobicContact CZ-CE 3.86Å
15	S	31.1	Very low	32.2	Very low	80 Å²	80	111.2 Å²	111.2	56%	0.559	67%	0.666	S	S	*	*	H	α-helix	trans	-91.6	-24.9	-176	-54.2	0	0	0	0	113.3	L11 A12 V13	L11-S15 PolarHBondContact O-N 3.33Å; L11-S15 PolarHBondContact O-OG 3.44Å; A12-S15 PolarHBondContact O-N 3.33Å; A12-S15 VanDerWaalsContact O-N 3.1Å; V13-S15 VanDerWaalsContact C-N 3.34Å
16	V	34.2	Very low	31.8	Very low	117 Å²	117	116.2 Å²	116.2	71%	0.709	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-84.8	-11.6	-174.8	174.8	0	0	0	0	113.2	A12 L18	A12-V16 VanDerWaalsContact O-CG2 3.28Å; A12-V16 WeakPolarHBondContact O-CG2 3.5Å; A12-V16 PolarHBondContact O-N 2.91Å; A12-V16 VanDerWaalsContact O-N 3.14Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.05Å
17	G	31.6	Very low	31.4	Very low	73 Å²	73	122.1 Å²	122.1	75%	0.753	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-77.9	-0.1	175.7	0	0	0	0	0	116
18	L	32	Very low	30.9	Very low	136 Å²	136	126.3 Å²	126.3	71%	0.712	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-113.8	-1.4	-173.8	-100.5	112.3	0	0	0	115.2	V16	V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.05Å
19	W	30.1	Very low	30.3	Very low	237 Å²	237	131.1 Å²	131.1	90%	0.898	74%	0.735	S	S	*	*			trans	-131.7	85.1	-173.7	-81.5	52.8	0	0	0	110.9
20	S	25.3	Very low	29.7	Very low	126 Å²	126	131.7 Å²	131.7	88%	0.881	75%	0.747	S	S	*	*			trans	-158.7	107.3	155.2	-163.8	0	0	0	0	110.8
21	S	26.2	Very low	29	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	76%	0.761	S	S	*	*			trans	155.6	101.4	147.7	167.2	0	0	0	0	109
22	E	26.7	Very low	28.5	Very low	191 Å²	191	132.5 Å²	132.5	89%	0.893	78%	0.777	S	S	*	*			trans	178.1	113.2	136.3	-102.4	173.8	-175.6	0	0	111.1
23	A	25.5	Very low	28.1	Very low	112 Å²	112	134.9 Å²	134.9	93%	0.926	80%	0.797	S	S	*	*			trans	-169.4	127	149.4	0	0	0	0	0	112.6
24	G	25.1	Very low	27.5	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	81%	0.805	S	S	*	*			trans	108	128.6	162.3	0	0	0	0	0	113.5
25	V	28	Very low	27	Very low	151 Å²	151	131.2 Å²	131.2	92%	0.915	81%	0.812	S	S	*	*			cis	-161.4	157.4	37.8	165.9	0	0	0	0	111.7
26	R	26.1	Very low	26.8	Very low	230 Å²	230	134.9 Å²	134.9	87%	0.868	83%	0.825	S	S	*	*			trans	-59.4	147.5	177.7	-99	173	167.9	168.1	-3.9	118.4
27	M	24.6	Very low	26.4	Very low	178 Å²	178	133.5 Å²	133.5	88%	0.877	82%	0.821	S	S	*	*			trans	24.8	131	130.1	-82.3	-161.1	165.9	0	0	123
28	Q	25.1	Very low	26.2	Very low	183 Å²	183	135.7 Å²	135.7	86%	0.855	83%	0.825	S	S	*	*			trans	179.5	159.4	130.8	-100.5	169.7	-7	0	0	107.6
29	K	24.4	Very low	26	Very low	189 Å²	189	132.9 Å²	132.9	82%	0.822	83%	0.829	S	S	*	*			cis	-171	162.3	-28	-135.5	-176.1	-174.6	-176	0	105.7
30	A	24.3	Very low	25.9	Very low	93 Å²	93	128.8 Å²	128.8	77%	0.769	82%	0.824	S	S	*	*			trans	73.4	126.8	160.1	0	0	0	0	0	117.6
31	A	24.9	Very low	26	Very low	102 Å²	102	126.6 Å²	126.6	84%	0.843	81%	0.809	S	S	*	*			cis	92.8	112.8	41.9	0	0	0	0	0	114.4
32	A	26.2	Very low	26	Very low	97 Å²	97	131.2 Å²	131.2	80%	0.802	81%	0.81	S	S	*	*			trans	175.5	119.3	146.9	0	0	0	0	0	106.7
33	A	25.9	Very low	26.2	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	80%	0.802	S	S	*	*			cis	73.9	99	48.5	0	0	0	0	0	114.9
34	A	25.6	Very low	26.3	Very low	106 Å²	106	132.3 Å²	132.3	88%	0.876	80%	0.796	S	S	*	*			trans	30.3	144	135.4	0	0	0	0	0	123.1
35	G	24.6	Very low	26.5	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	80%	0.797	S	S	*	*			trans	84.7	145	157.4	0	0	0	0	0	112.9
36	N	25.7	Very low	26.5	Very low	156 Å²	156	132.7 Å²	132.7	83%	0.834	79%	0.794	S	S	*	*			cis	-166.6	165	23	-155.2	2.6	0	0	0	110.1
37	S	27	Very low	26.9	Very low	88 Å²	88	133.7 Å²	133.7	62%	0.615	80%	0.797	S	S	*	*			trans	-59	165.2	170.6	58.4	0	0	0	0	117.1
38	S	27.8	Very low	27	Very low	120 Å²	120	129.9 Å²	129.9	84%	0.839	80%	0.795	S	S	*	*			trans	102.1	136.9	138	75.8	0	0	0	0	121.3
39	G	27.1	Very low	27.2	Very low	76 Å²	76	126.2 Å²	126.2	78%	0.784	80%	0.796	S	S	*	*			trans	107.1	132.2	157.4	0	0	0	0	0	114.9
40	D	27.6	Very low	27.6	Very low	152 Å²	152	120.7 Å²	120.7	81%	0.813	79%	0.792	S	S	*	*			cis	-173.3	151.3	3.9	-163.8	8.4	0	0	0	110.5
41	S	27.6	Very low	28.4	Very low	80 Å²	80	124.6 Å²	124.6	56%	0.559	79%	0.794	S	S	*	*			trans	53.1	130.3	144.3	66.2	0	0	0	0	124.1
42	R	27.4	Very low	29.8	Very low	205 Å²	205	122.2 Å²	122.2	77%	0.774	77%	0.774	S	S	*	*				173.9	118.6	98.7	-91.4	-177.3	-178.4	159.1	1.7	111.6
43	E	29.9	Very low	31.6	Very low	155 Å²	155	122.4 Å²	122.4	72%	0.724	77%	0.766	S	S	*	*				82.4	137.3	112.3	-73.4	173.8	163.4	0	0	112.6
44	E	28.5	Very low	34.2	Very low	170 Å²	170	119.9 Å²	119.9	79%	0.794	74%	0.741	S	S	*	*			cis	-164.8	144.4	25.5	-139.2	171.8	175.8	0	0	112.2
45	S	28.3	Very low	36.9	Very low	112 Å²	112	115.1 Å²	115.1	78%	0.783	70%	0.702	S	S	*	*			trans	5.4	132.7	149.4	-164	0	0	0	0	121.8
46	S	28.7	Very low	39.1	Very low	122 Å²	122	115.6 Å²	115.6	85%	0.853	71%	0.706	S	S	*	*				-161.5	123.6	112.5	51.6	0	0	0	0	112.4
47	R	33.8	Very low	41.8	Very low	250 Å²	250	115.5 Å²	115.5	94%	0.943	69%	0.694	S	S	*	*			trans	-94.2	134.2	166.6	-76.5	175.6	172	157.7	-2	108.9
48	A	27.3	Very low	44.8	Very low	99 Å²	99	112.3 Å²	112.3	82%	0.818	67%	0.671	S	S	*	*			trans	-153.3	138.6	144.3	0	0	0	0	0	109.9
49	A	29.5	Very low	47.8	Very low	106 Å²	106	115.6 Å²	115.6	88%	0.876	67%	0.665	S	S	*	*			trans	-78.2	143.5	-158.4	0	0	0	0	0	115.1
50	G	31.6	Very low	50.8	Low	72 Å²	72	114.2 Å²	114.2	74%	0.742	64%	0.643	S	S	*	*			trans	173.2	37	171.8	0	0	0	0	0	108.9	A52	G50-A52 PolarHBondContact O-N 2.86Å
51	H	41.3	Very low	53.7	Low	176 Å²	176	113 Å²	113	82%	0.815	63%	0.633	S	S	*	*			trans	-76.6	98.6	-167.4	-83.8	34.7	0	0	0	110.8	T53	H51-T53 PolarHBondContact O-N 3.23Å
52	A	53.9	Low	56.2	Low	52 Å²	52	111.8 Å²	111.8	43%	0.43	63%	0.633	S	S	.	*			trans	-49.3	119.2	148.2	0	0	0	0	0	107.6	G50 C54	G50-A52 PolarHBondContact O-N 2.86Å; A52-C54 PolarHBondContact O-N 3.34Å
53	T	65.4	Low	58.3	Low	101 Å²	101	106.8 Å²	106.8	62%	0.62	62%	0.622	S	S	*	*			trans	-60.9	100.2	-173.1	18.6	0	0	0	0	110.7	H51	H51-T53 PolarHBondContact O-N 3.23Å
54	C	79.1	Confident	60.6	Low	43 Å²	43	103 Å²	103	29%	0.291	62%	0.624	S	S	.	*			trans	-64	137.1	161.8	-168.3	0	0	0	0	108.7	A52 G56 C58 C60	A52-C54 PolarHBondContact O-N 3.34Å; C54-G56 PolarHBondContact O-N 3.49Å; C54-C58 PolarHBondContact SG-O 2.62Å; C54-C60 WeakPolarHBondContact CA-SG 3.27Å; C54-C60 HydrophobicContact CB-CB 3.67Å; C54-C60 WeakPolarHBondContact CB-SG 3.43Å; C54-C60 WeakPolarHBondContact SG-CB 3.3Å; C54-C60 PolarHBondContact SG-N 3.11Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.94Å
55	P	82.9	Confident	62.9	Low	7 Å²	7	102.1 Å²	102.1	5%	0.045	62%	0.624	C	S	.	*			trans	-55	136.7	173.5	-21.6	30.4	0	0	0	111.1	R57 C58 P80 N82 L83	P55-R57 PolarHBondContact O-N 3.17Å; P55-C58 HydrophobicContact CB-CB 4.04Å; P55-C58 HydrophobicContact CG-CB 4.28Å; P55-C58 PolarHBondContact O-N 3.34Å; P55-P80 HydrophobicContact CB-CB 3.88Å; P55-P80 HydrophobicContact CB-CG 4.41Å; P55-P80 HydrophobicContact CG-CB 3.94Å; P55-N82 WeakPolarHBondContact CA-OD1 3.24Å; P55-N82 VanDerWaalsContact CB-OD1 3.27Å; P55-N82 WeakPolarHBondContact CB-OD1 3.27Å; P55-N82 WeakPolarHBondContact CG-OD1 3.44Å; P55-L83 HydrophobicContact CG-CD2 3.8Å
56	G	71.4	Confident	65.6	Low	85 Å²	85	99.4 Å²	99.4	88%	0.876	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-4.7	-163.1	0	0	0	0	0	117.3	C54	C54-G56 PolarHBondContact O-N 3.49Å
57	R	81.6	Confident	68.3	Low	155 Å²	155	95.6 Å²	95.6	59%	0.585	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	-7.2	172.9	-63.6	-174.5	67.3	-153.6	-6.2	113.5	P55 L74	P55-R57 PolarHBondContact O-N 3.17Å; R57-L74 HydrophobicContact CB-CD1 3.93Å; R57-L74 HydrophobicContact CB-CD2 4.43Å; R57-L74 VanDerWaalsContact CZ-O 3.28Å; R57-L74 PolarHBondContact NH1-O 3.49Å; R57-L74 PolarHBondContact NH2-O 2.85Å; R57-L74 WeakPolarHBondContact O-CD1 3.22Å
58	C	90.2	Very high	71.2	Confident	20 Å²	20	88.8 Å²	88.8	14%	0.135	54%	0.543	C	S	.	.	S	Bend	trans	-94.6	159.8	-176.7	-57.1	0	0	0	0	111.1	C54 P55 V69 D70 C71	C54-C58 PolarHBondContact SG-O 2.62Å; P55-C58 HydrophobicContact CB-CB 4.04Å; P55-C58 HydrophobicContact CG-CB 4.28Å; P55-C58 PolarHBondContact O-N 3.34Å; C58-V69 HydrophobicContact CB-CG1 4.33Å; C58-D70 CarbonylContact C-O 3.52Å; C58-D70 WeakPolarHBondContact CA-O 3.3Å; C58-D70 VanDerWaalsContact CB-O 3.32Å; C58-D70 WeakPolarHBondContact CB-O 3.39Å; C58-C71 HydrophobicContact CB-CB 4.04Å; C58-C71 WeakPolarHBondContact CB-SG 3.25Å; C58-C71 WeakPolarHBondContact SG-CB 3.37Å; C58-C71 CovalentContact SG-SG 2.02Å; C58-C71 PolarHBondContact SG-SG 3.22Å
59	R	90.9	Very high	74.3	Confident	189 Å²	189	84.2 Å²	84.2	71%	0.713	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.9	172.4	-176.9	175.5	178.9	167.4	-1.7	108.7	D70	R59-D70 HydrophobicContact CB-CB 4.43Å; R59-D70 PolarHBondContact N-O 3.41Å; R59-D70 PolarHBondContact O-N 3.47Å
60	C	90.2	Very high	77.5	Confident	47 Å²	47	82 Å²	82	32%	0.318	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.4	177	-55.1	0	0	0	0	110.5	C54 R68	C54-C60 WeakPolarHBondContact CA-SG 3.27Å; C54-C60 HydrophobicContact CB-CB 3.67Å; C54-C60 WeakPolarHBondContact CB-SG 3.43Å; C54-C60 WeakPolarHBondContact SG-CB 3.3Å; C54-C60 PolarHBondContact SG-N 3.11Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 2.94Å; C60-R68 CarbonylContact C-O 3.58Å; C60-R68 VanDerWaalsContact CA-O 3.27Å; C60-R68 WeakPolarHBondContact CA-O 3.48Å
61	E	87.6	Confident	80.5	Confident	127 Å²	127	78.5 Å²	78.5	59%	0.593	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.4	175.1	-172.1	171	-167	0	0	109.1	H67 R68	E61-H67 WeakPolarHBondContact O-CA 3.37Å; E61-R68 HydrophobicContact CB-CB 4.47Å; E61-R68 PolarHBondContact N-O 3.25Å; E61-R68 PolarHBondContact O-N 3.49Å
62	G	81.1	Confident	83.1	Confident	54 Å²	54	72 Å²	72	56%	0.557	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	124.4	175.1	0	0	0	0	0	110.5
63	D	71.1	Confident	85	Confident	101 Å²	101	75.6 Å²	75.6	54%	0.54	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	83.3	169.8	-171.3	9.1	0	0	0	108.7	L65 L66	D63-L65 PolarHBondContact O-N 2.83Å; D63-L66 CarbonylContact C-O 3.59Å; D63-L66 PolarHBondContact N-O 2.89Å; D63-L66 PolarHBondContact O-N 3.49Å
64	G	77.4	Confident	86.4	Confident	75 Å²	75	72.6 Å²	72.6	77%	0.773	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	-115.7	-171.2	0	0	0	0	0	112.3
65	L	76.8	Confident	87	Confident	152 Å²	152	72.8 Å²	72.8	80%	0.796	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.1	175.7	-77.5	163.8	0	0	0	113.3	D63 F86	D63-L65 PolarHBondContact O-N 2.83Å; L65-F86 WeakPolarHBondContact O-CB 3.24Å
66	L	85.3	Confident	87.4	Confident	54 Å²	54	73.7 Å²	73.7	28%	0.283	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	155.8	-177.7	-64.2	171.7	0	0	0	110.8	D63 F86 F110	D63-L66 CarbonylContact C-O 3.59Å; D63-L66 PolarHBondContact N-O 2.89Å; D63-L66 PolarHBondContact O-N 3.49Å; L66-F86 CarbonylContact C-O 3.57Å; L66-F86 VanDerWaalsContact CA-O 3.32Å; L66-F86 WeakPolarHBondContact CA-O 3.48Å; L66-F86 WeakPolarHBondContact CD2-O 3.43Å; L66-F110 HydrophobicContact CD2-CB 3.88Å; L66-F110 HydrophobicContact CD2-CD1 4.36Å; L66-F110 HydrophobicContact CD2-CG 4.13Å
67	H	87.1	Confident	88.3	Confident	43 Å²	43	79 Å²	79	20%	0.199	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.3	178.9	-64.4	-62.4	0	0	0	111.6	E61 F86 T87 S88	E61-H67 WeakPolarHBondContact O-CA 3.37Å; H67-F86 PolarHBondContact N-O 3.01Å; H67-T87 CarbonylContact O-C 3.55Å; H67-T87 VanDerWaalsContact O-CA 3.32Å; H67-T87 WeakPolarHBondContact O-CA 3.28Å; H67-S88 PolarHBondContact O-N 3.46Å; H67-S88 PolarHBondContact O-OG 3.27Å
68	R	92.7	Very high	88.7	Confident	106 Å²	106	78.9 Å²	78.9	40%	0.4	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.1	166.3	-55	-175.3	72.8	146.3	1.7	108.1	C60 E61 Y89	C60-R68 CarbonylContact C-O 3.58Å; C60-R68 VanDerWaalsContact CA-O 3.27Å; C60-R68 WeakPolarHBondContact CA-O 3.48Å; E61-R68 HydrophobicContact CB-CB 4.47Å; E61-R68 PolarHBondContact N-O 3.25Å; E61-R68 PolarHBondContact O-N 3.49Å; R68-Y89 HydrophobicContact CB-CD1 4.02Å; R68-Y89 HydrophobicContact CB-CG 4.44Å
69	V	94.2	Very high	88.7	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.018	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.2	-176.6	-178.4	0	0	0	0	108.9	C58 L83 T87 Y89 L90 D91	C58-V69 HydrophobicContact CB-CG1 4.33Å; V69-L83 HydrophobicContact CG1-CD2 3.95Å; V69-T87 HydrophobicContact CB-CG2 4.1Å; V69-T87 HydrophobicContact CG2-CG2 3.67Å; V69-Y89 PolarHBondContact N-O 2.93Å; V69-L90 HydrophobicContact CB-CD1 3.94Å; V69-L90 HydrophobicContact CG1-CD1 3.83Å; V69-L90 WeakPolarHBondContact O-CA 3.25Å; V69-D91 PolarHBondContact O-N 3.44Å
70	D	94.9	Very high	88.6	Confident	59 Å²	59	70.9 Å²	70.9	32%	0.316	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.5	177.2	-178.2	3.1	0	0	0	109.8	C58 R59 S72	C58-D70 CarbonylContact C-O 3.52Å; C58-D70 WeakPolarHBondContact CA-O 3.3Å; C58-D70 VanDerWaalsContact CB-O 3.32Å; C58-D70 WeakPolarHBondContact CB-O 3.39Å; R59-D70 HydrophobicContact CB-CB 4.43Å; R59-D70 PolarHBondContact N-O 3.41Å; R59-D70 PolarHBondContact O-N 3.47Å; D70-S72 VanDerWaalsContact OD1-CB 3.3Å; D70-S72 WeakPolarHBondContact OD1-CB 3.33Å; D70-S72 PolarHBondContact OD1-N 3.42Å; D70-S72 PolarHBondContact OD1-OG 3.46Å
71	C	94.6	Very high	88.1	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	42%	0.421	C	S	.	.			trans	-120.2	23.4	177.9	-64	0	0	0	0	111	C58 L74 L76 D91 L92 N95	C58-C71 HydrophobicContact CB-CB 4.04Å; C58-C71 WeakPolarHBondContact CB-SG 3.25Å; C58-C71 WeakPolarHBondContact SG-CB 3.37Å; C58-C71 CovalentContact SG-SG 2.02Å; C58-C71 PolarHBondContact SG-SG 3.22Å; C71-L74 HydrophobicContact CB-CD1 4.18Å; C71-L76 HydrophobicContact CB-CD1 3.99Å; C71-D91 CarbonylContact C-O 3.54Å; C71-D91 WeakPolarHBondContact CA-O 3.47Å; C71-D91 WeakPolarHBondContact CB-O 3.44Å; C71-D91 PolarHBondContact N-O 3.11Å; C71-L92 HydrophobicContact CB-CD2 3.63Å; C71-N95 PolarHBondContact O-ND2 3Å
72	S	95.8	Very high	87.8	Confident	38 Å²	38	71.9 Å²	71.9	27%	0.266	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	149.9	-177.9	62.1	0	0	0	0	112.7	D70 L74 D91 S93	D70-S72 VanDerWaalsContact OD1-CB 3.3Å; D70-S72 WeakPolarHBondContact OD1-CB 3.33Å; D70-S72 PolarHBondContact OD1-N 3.42Å; D70-S72 PolarHBondContact OD1-OG 3.46Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 WeakPolarHBondContact O-CG 3.28Å; S72-L74 PolarHBondContact O-N 2.9Å; S72-D91 PolarHBondContact N-O 3.23Å; S72-S93 CarbonylContact C-O 3.51Å; S72-S93 WeakPolarHBondContact CA-O 3.38Å; S72-S93 WeakPolarHBondContact CB-O 3.41Å
73	D	95.1	Very high	88.1	Confident	128 Å²	128	70.7 Å²	70.7	68%	0.684	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	37.8	174.6	-161.6	24.7	0	0	0	115.3	S93 M94	D73-S93 PolarHBondContact N-O 2.72Å; D73-M94 WeakPolarHBondContact CA-O 3.4Å; D73-M94 HydrophobicContact CB-CB 4.34Å
74	L	93.7	Very high	89	Confident	38 Å²	38	67.2 Å²	67.2	20%	0.199	37%	0.374	C	S	.	.	S	Bend	trans	-106.2	-3.3	-179.2	-68	176.5	0	0	0	113.3	R57 C71 S72 L76 N95	R57-L74 HydrophobicContact CB-CD1 3.93Å; R57-L74 HydrophobicContact CB-CD2 4.43Å; R57-L74 VanDerWaalsContact CZ-O 3.28Å; R57-L74 PolarHBondContact NH1-O 3.49Å; R57-L74 PolarHBondContact NH2-O 2.85Å; R57-L74 WeakPolarHBondContact O-CD1 3.22Å; C71-L74 HydrophobicContact CB-CD1 4.18Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L74 WeakPolarHBondContact O-CG 3.28Å; S72-L74 PolarHBondContact O-N 2.9Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 HydrophobicContact CB-CD1 4.34Å; L74-L76 HydrophobicContact CB-CD2 4.12Å; L74-L76 HydrophobicContact CB-CG 3.83Å; L74-L76 HydrophobicContact CD1-CD1 4.4Å; L74-L76 PolarHBondContact O-N 2.92Å; L74-N95 PolarHBondContact N-OD1 3.48Å; L74-N95 VanDerWaalsContact N-OD1 3.11Å
75	G	92.5	Very high	89.5	Confident	47 Å²	47	66.7 Å²	66.7	49%	0.485	36%	0.356	S	S	.	.			trans	64.3	31.8	-175.2	0	0	0	0	0	113	N95	G75-N95 PolarHBondContact N-OD1 3.5Å
76	L	91.5	Very high	90.2	Very high	27 Å²	27	64.2 Å²	64.2	14%	0.141	34%	0.339	C	S	.	.			trans	-66.1	138.3	-179.6	-59.4	175.5	0	0	0	110.8	C71 L74 P80 L92 N95 N96 L97	C71-L76 HydrophobicContact CB-CD1 3.99Å; L74-L76 VanDerWaalsContact C-N 3.29Å; L74-L76 HydrophobicContact CB-CD1 4.34Å; L74-L76 HydrophobicContact CB-CD2 4.12Å; L74-L76 HydrophobicContact CB-CG 3.83Å; L74-L76 HydrophobicContact CD1-CD1 4.4Å; L74-L76 PolarHBondContact O-N 2.92Å; L76-P80 HydrophobicContact CD1-CG 4.15Å; L76-L92 HydrophobicContact CD1-CD2 4.18Å; L76-N95 HydrophobicContact CB-CB 4.18Å; L76-N95 WeakPolarHBondContact CG-OD1 3.46Å; L76-N95 PolarHBondContact N-OD1 3.42Å; L76-N96 CarbonylContact O-C 3.08Å; L76-N96 WeakPolarHBondContact O-CA 3.09Å; L76-N96 PolarHBondContact O-N 3.01Å; L76-L97 HydrophobicContact CB-CD2 4.47Å; L76-L97 PolarHBondContact O-N 3.18Å
77	R	91.1	Very high	90.5	Very high	197 Å²	197	61.6 Å²	61.6	74%	0.743	33%	0.325	S	S	*	.	S	Bend	trans	-100.2	-16.5	174.2	-65.8	-177.1	179.5	-178.5	-0.6	113.4	L97	R77-L97 VanDerWaalsContact C-CD2 3.44Å
78	E	89.6	Confident	90.9	Very high	151 Å²	151	60.2 Å²	60.2	71%	0.706	32%	0.32	S	S	*	.	S	Bend	trans	-141.7	158.1	178.8	62.7	-176.8	-179.8	0	0	110.4
79	I	89.8	Confident	91	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.092	31%	0.306	C	S	.	.			trans	-70.4	135.8	177.4	-59	172.2	0	0	0	109.1	S81 L83 L92 M100 A104 L105	I79-S81 PolarHBondContact O-N 2.95Å; I79-L83 HydrophobicContact CG2-CD1 4.07Å; I79-L92 HydrophobicContact CG1-CD1 4.3Å; I79-L92 HydrophobicContact CG2-CD1 4.25Å; I79-M100 HydrophobicContact CD1-CE 3.65Å; I79-M100 HydrophobicContact CD1-SD 3.88Å; I79-A104 HydrophobicContact CD1-CB 3.99Å; I79-L105 HydrophobicContact CD1-CD2 4.38Å; I79-L105 HydrophobicContact CD1-CG 4.31Å; I79-L105 HydrophobicContact CG2-CD2 3.94Å
80	P	87.8	Confident	91.1	Very high	23 Å²	23	56.2 Å²	56.2	15%	0.149	31%	0.305	C	S	.	.			trans	-57.9	132.9	176.6	-23.2	32.9	0	0	0	112.8	P55 L76 L83 L92	P55-P80 HydrophobicContact CB-CB 3.88Å; P55-P80 HydrophobicContact CB-CG 4.41Å; P55-P80 HydrophobicContact CG-CB 3.94Å; L76-P80 HydrophobicContact CD1-CG 4.15Å; P80-L83 HydrophobicContact CB-CD2 4.43Å; P80-L83 HydrophobicContact CB-CG 4.44Å; P80-L83 WeakPolarHBondContact O-CG 3.38Å; P80-L92 HydrophobicContact CG-CD2 4.46Å
81	S	79.6	Confident	91.2	Very high	129 Å²	129	54 Å²	54	90%	0.902	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.6	-174.5	53.8	0	0	0	0	114.9	I79	I79-S81 PolarHBondContact O-N 2.95Å
82	N	82.2	Confident	91.3	Very high	66 Å²	66	54 Å²	54	35%	0.353	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	37.6	-174.6	70.6	-32.8	0	0	0	113.9	P55	P55-N82 WeakPolarHBondContact CA-OD1 3.24Å; P55-N82 VanDerWaalsContact CB-OD1 3.27Å; P55-N82 WeakPolarHBondContact CB-OD1 3.27Å; P55-N82 WeakPolarHBondContact CG-OD1 3.44Å
83	L	87.9	Confident	91.3	Very high	29 Å²	29	52.9 Å²	52.9	15%	0.152	29%	0.285	C	S	.	.			trans	-72.5	136.6	177	-64.7	169.9	0	0	0	111.6	P55 V69 I79 P80 L90 L105 L108	P55-L83 HydrophobicContact CG-CD2 3.8Å; V69-L83 HydrophobicContact CG1-CD2 3.95Å; I79-L83 HydrophobicContact CG2-CD1 4.07Å; P80-L83 HydrophobicContact CB-CD2 4.43Å; P80-L83 HydrophobicContact CB-CG 4.44Å; P80-L83 WeakPolarHBondContact O-CG 3.38Å; L83-L90 HydrophobicContact CD1-CD1 4.48Å; L83-L90 HydrophobicContact CD1-CD2 3.83Å; L83-L90 HydrophobicContact CD2-CD1 4.05Å; L83-L105 HydrophobicContact CD1-CD2 4.2Å; L83-L108 HydrophobicContact CB-CD2 4.11Å; L83-L108 HydrophobicContact CD1-CD1 4.07Å
84	S	88.4	Confident	91.4	Very high	28 Å²	28	52.1 Å²	52.1	20%	0.196	28%	0.279	C	S	.	.			trans	-70.6	140.3	177.1	-178.9	0	0	0	0	111.3	F86 T87 L108	S84-F86 PolarHBondContact O-N 3.45Å; S84-F86 PolarHBondContact OG-N 2.76Å; S84-T87 WeakPolarHBondContact O-CB 3.26Å; S84-T87 PolarHBondContact O-N 3.23Å; S84-T87 VanDerWaalsContact O-N 3.07Å; S84-T87 PolarHBondContact O-OG1 3.39Å; S84-L108 WeakPolarHBondContact O-CD2 3.41Å
85	V	89.3	Confident	91.5	Very high	65 Å²	65	50.9 Å²	50.9	39%	0.394	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.1	176.2	175.2	0	0	0	0	111.9	T87 F110	V85-T87 PolarHBondContact O-N 3.27Å; V85-F110 WeakPolarHBondContact O-CD2 3.48Å
86	F	90.2	Very high	91.6	Very high	99 Å²	99	51.7 Å²	51.7	43%	0.434	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	12	179.2	-57.1	-72.9	0	0	0	113.8	L65 L66 H67 S84 S88 F110	L65-F86 WeakPolarHBondContact O-CB 3.24Å; L66-F86 CarbonylContact C-O 3.57Å; L66-F86 VanDerWaalsContact CA-O 3.32Å; L66-F86 WeakPolarHBondContact CA-O 3.48Å; L66-F86 WeakPolarHBondContact CD2-O 3.43Å; H67-F86 PolarHBondContact N-O 3.01Å; S84-F86 PolarHBondContact O-N 3.45Å; S84-F86 PolarHBondContact OG-N 2.76Å; F86-S88 PolarHBondContact O-N 2.68Å; F86-F110 HydrophobicContact CD1-CD2 4.32Å; F86-F110 HydrophobicContact CD1-CE2 4.18Å; F86-F110 HydrophobicContact CE1-CE2 4.36Å
87	T	92.8	Very high	91.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	118.4	177.3	-55.2	0	0	0	0	110.1	H67 V69 S84 V85 Y89 L90 F110 L111	H67-T87 CarbonylContact O-C 3.55Å; H67-T87 VanDerWaalsContact O-CA 3.32Å; H67-T87 WeakPolarHBondContact O-CA 3.28Å; V69-T87 HydrophobicContact CB-CG2 4.1Å; V69-T87 HydrophobicContact CG2-CG2 3.67Å; S84-T87 WeakPolarHBondContact O-CB 3.26Å; S84-T87 PolarHBondContact O-N 3.23Å; S84-T87 VanDerWaalsContact O-N 3.07Å; S84-T87 PolarHBondContact O-OG1 3.39Å; V85-T87 PolarHBondContact O-N 3.27Å; T87-Y89 VanDerWaalsContact CG2-O 3.25Å; T87-Y89 WeakPolarHBondContact CG2-O 3.37Å; T87-L90 HydrophobicContact CG2-CB 4.23Å; T87-F110 CarbonylContact O-C 3.08Å; T87-L111 HydrophobicContact CG2-CD1 3.88Å; T87-L111 WeakPolarHBondContact O-CA 3.27Å; T87-L111 PolarHBondContact O-N 2.89Å
88	S	94.4	Very high	91.7	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-24.1	176.3	59.2	0	0	0	0	113.1	H67 F86 F110 E112 E113	H67-S88 PolarHBondContact O-N 3.46Å; H67-S88 PolarHBondContact O-OG 3.27Å; F86-S88 PolarHBondContact O-N 2.68Å; S88-F110 WeakPolarHBondContact CA-O 3.23Å; S88-E112 PolarHBondContact O-N 3.09Å; S88-E113 PolarHBondContact O-N 2.99Å
89	Y	95.9	Very high	91.5	Very high	25 Å²	25	41.4 Å²	41.4	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.5	179	170.6	-86	0	0	0	109.1	R68 V69 T87 D91 E113 R115	R68-Y89 HydrophobicContact CB-CD1 4.02Å; R68-Y89 HydrophobicContact CB-CG 4.44Å; V69-Y89 PolarHBondContact N-O 2.93Å; T87-Y89 VanDerWaalsContact CG2-O 3.25Å; T87-Y89 WeakPolarHBondContact CG2-O 3.37Å; Y89-D91 HydrophobicContact CE1-CB 3.82Å; Y89-D91 PolarHBondContact OH-OD2 3.46Å; Y89-D91 VanDerWaalsContact OH-OD2 3.1Å; Y89-E113 HydrophobicContact CD2-CB 3.93Å; Y89-E113 HydrophobicContact CD2-CG 3.9Å; Y89-E113 HydrophobicContact CE2-CG 4.02Å; Y89-R115 VanDerWaalsContact OH-CZ 3.23Å; Y89-R115 PolarHBondContact OH-NH1 2.96Å
90	L	95.8	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	115.5	177.6	179.6	59.1	0	0	0	110.5	V69 L83 T87 L92 L105 L108 L111 E113 L114 R115	V69-L90 HydrophobicContact CB-CD1 3.94Å; V69-L90 HydrophobicContact CG1-CD1 3.83Å; V69-L90 WeakPolarHBondContact O-CA 3.25Å; L83-L90 HydrophobicContact CD1-CD1 4.48Å; L83-L90 HydrophobicContact CD1-CD2 3.83Å; L83-L90 HydrophobicContact CD2-CD1 4.05Å; T87-L90 HydrophobicContact CG2-CB 4.23Å; L90-L92 HydrophobicContact CD1-CD1 4.49Å; L90-L92 HydrophobicContact CD1-CD2 4.47Å; L90-L92 HydrophobicContact CD1-CG 4.17Å; L90-L92 HydrophobicContact CD2-CD1 3.91Å; L90-L92 HydrophobicContact CD2-CG 4.44Å; L90-L92 HydrophobicContact CG-CD1 4.07Å; L90-L92 HydrophobicContact CG-CG 4.07Å; L90-L105 HydrophobicContact CD2-CD2 3.87Å; L90-L108 HydrophobicContact CD2-CD1 4.18Å; L90-L111 HydrophobicContact CB-CD1 3.7Å; L90-E113 PolarHBondContact N-O 3.15Å; L90-L114 HydrophobicContact CB-CD1 4.1Å; L90-L114 HydrophobicContact CD2-CD1 3.89Å; L90-L114 HydrophobicContact CG-CD1 4.04Å; L90-R115 PolarHBondContact O-N 2.86Å
91	D	97	Very high	90.9	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.064	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.8	172.9	-157.2	-25.3	0	0	0	111.2	V69 C71 S72 Y89 S93 R115	V69-D91 PolarHBondContact O-N 3.44Å; C71-D91 CarbonylContact C-O 3.54Å; C71-D91 WeakPolarHBondContact CA-O 3.47Å; C71-D91 WeakPolarHBondContact CB-O 3.44Å; C71-D91 PolarHBondContact N-O 3.11Å; S72-D91 PolarHBondContact N-O 3.23Å; Y89-D91 HydrophobicContact CE1-CB 3.82Å; Y89-D91 PolarHBondContact OH-OD2 3.46Å; Y89-D91 VanDerWaalsContact OH-OD2 3.1Å; D91-S93 WeakPolarHBondContact OD1-CB 3.45Å; D91-S93 PolarHBondContact OD1-N 3.38Å; D91-S93 PolarHBondContact OD1-OG 3.09Å; D91-R115 VanDerWaalsContact OD2-CD 3.22Å; D91-R115 WeakPolarHBondContact OD2-CD 3.38Å; D91-R115 IonicContact OD2-NH1 3.32Å; D91-R115 PolarHBondContact OD2-NH1 3.34Å
92	L	96	Very high	90.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.			trans	-121.4	23.4	175	-67.4	165.3	0	0	0	110.7	C71 L76 I79 P80 L90 N95 L97 R115 L116 N119	C71-L92 HydrophobicContact CB-CD2 3.63Å; L76-L92 HydrophobicContact CD1-CD2 4.18Å; I79-L92 HydrophobicContact CG1-CD1 4.3Å; I79-L92 HydrophobicContact CG2-CD1 4.25Å; P80-L92 HydrophobicContact CG-CD2 4.46Å; L90-L92 HydrophobicContact CD1-CD1 4.49Å; L90-L92 HydrophobicContact CD1-CD2 4.47Å; L90-L92 HydrophobicContact CD1-CG 4.17Å; L90-L92 HydrophobicContact CD2-CD1 3.91Å; L90-L92 HydrophobicContact CD2-CG 4.44Å; L90-L92 HydrophobicContact CG-CD1 4.07Å; L90-L92 HydrophobicContact CG-CG 4.07Å; L92-N95 VanDerWaalsContact C-ND2 3.31Å; L92-N95 PolarHBondContact O-ND2 3.48Å; L92-L97 HydrophobicContact CB-CD1 4.3Å; L92-R115 WeakPolarHBondContact CA-O 3.23Å; L92-R115 WeakPolarHBondContact CB-O 3.4Å; L92-R115 PolarHBondContact N-O 2.99Å; L92-L116 HydrophobicContact CB-CD2 3.93Å; L92-L116 HydrophobicContact CD1-CD2 3.88Å; L92-N119 PolarHBondContact O-ND2 3.15Å
93	S	97.1	Very high	90.7	Very high	15 Å²	15	39.5 Å²	39.5	11%	0.105	23%	0.232	C	C	.	.			trans	-69.8	157.4	-175.6	-50.5	0	0	0	0	112.9	S72 D73 D91 N95 R115 A117	S72-S93 CarbonylContact C-O 3.51Å; S72-S93 WeakPolarHBondContact CA-O 3.38Å; S72-S93 WeakPolarHBondContact CB-O 3.41Å; D73-S93 PolarHBondContact N-O 2.72Å; D91-S93 WeakPolarHBondContact OD1-CB 3.45Å; D91-S93 PolarHBondContact OD1-N 3.38Å; D91-S93 PolarHBondContact OD1-OG 3.09Å; S93-N95 VanDerWaalsContact C-N 3.29Å; S93-N95 PolarHBondContact O-N 3.24Å; S93-N95 PolarHBondContact O-ND2 3.31Å; S93-R115 WeakPolarHBondContact OG-CB 3.28Å; S93-A117 CarbonylContact C-O 3.06Å; S93-A117 WeakPolarHBondContact CA-O 3.27Å; S93-A117 WeakPolarHBondContact CB-O 3.17Å
94	M	96.8	Very high	90.5	Very high	112 Å²	112	40.3 Å²	40.3	55%	0.552	24%	0.242	S	C	*	.	S	Bend	trans	55.5	42.6	177.4	-56	-59.5	-67.2	0	0	112.8	D73 A117 G118	D73-M94 WeakPolarHBondContact CA-O 3.4Å; D73-M94 HydrophobicContact CB-CB 4.34Å; M94-A117 PolarHBondContact N-O 3.17Å; M94-G118 VanDerWaalsContact CA-O 3.25Å; M94-G118 WeakPolarHBondContact CA-O 3.26Å; M94-G118 PolarHBondContact N-O 3.15Å
95	N	95.5	Very high	90.5	Very high	12 Å²	12	39 Å²	39	6%	0.064	23%	0.233	C	C	.	.	S	Bend	trans	-114.1	-177.3	175.5	-78.6	-63.8	0	0	0	110.2	C71 L74 G75 L76 L92 S93 L97 G118 N119	C71-N95 PolarHBondContact O-ND2 3Å; L74-N95 PolarHBondContact N-OD1 3.48Å; L74-N95 VanDerWaalsContact N-OD1 3.11Å; G75-N95 PolarHBondContact N-OD1 3.5Å; L76-N95 HydrophobicContact CB-CB 4.18Å; L76-N95 WeakPolarHBondContact CG-OD1 3.46Å; L76-N95 PolarHBondContact N-OD1 3.42Å; L92-N95 VanDerWaalsContact C-ND2 3.31Å; L92-N95 PolarHBondContact O-ND2 3.48Å; S93-N95 VanDerWaalsContact C-N 3.29Å; S93-N95 PolarHBondContact O-N 3.24Å; S93-N95 PolarHBondContact O-ND2 3.31Å; N95-L97 HydrophobicContact CB-CG 4.24Å; N95-G118 PolarHBondContact N-O 2.96Å; N95-N119 VanDerWaalsContact CA-OD1 3.31Å; N95-N119 WeakPolarHBondContact CA-OD1 3.44Å; N95-N119 WeakPolarHBondContact CB-OD1 3.2Å; N95-N119 PolarHBondContact N-OD1 3.31Å; N95-N119 PolarHBondContact O-OD1 2.88Å; N95-N119 VanDerWaalsContact O-OD1 3.07Å
96	N	94.9	Very high	90.4	Very high	64 Å²	64	37.8 Å²	37.8	34%	0.342	23%	0.227	S	C	.	.			trans	-110.8	43.4	-179.4	-166	-8.4	0	0	0	110.4	L76 T98 D120	L76-N96 CarbonylContact O-C 3.08Å; L76-N96 WeakPolarHBondContact O-CA 3.09Å; L76-N96 PolarHBondContact O-N 3.01Å; N96-T98 PolarHBondContact O-N 3.3Å; N96-D120 PolarHBondContact OD1-OD2 3.25Å
97	L	93.5	Very high	90.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.234	C	C	.	.			trans	-75.7	119.2	176.6	-58.3	177.2	0	0	0	108.8	L76 R77 L92 N95 L116 N119 D120 L121	L76-L97 HydrophobicContact CB-CD2 4.47Å; L76-L97 PolarHBondContact O-N 3.18Å; R77-L97 VanDerWaalsContact C-CD2 3.44Å; L92-L97 HydrophobicContact CB-CD1 4.3Å; N95-L97 HydrophobicContact CB-CG 4.24Å; L97-L116 HydrophobicContact CD1-CD2 3.91Å; L97-N119 HydrophobicContact CB-CB 4.13Å; L97-N119 VanDerWaalsContact CB-OD1 3.26Å; L97-N119 WeakPolarHBondContact CB-OD1 3.23Å; L97-N119 WeakPolarHBondContact CG-OD1 3.36Å; L97-N119 PolarHBondContact N-OD1 3.35Å; L97-N119 VanDerWaalsContact N-OD1 3.12Å; L97-D120 CarbonylContact O-C 3.26Å; L97-D120 WeakPolarHBondContact O-CA 3.38Å; L97-D120 PolarHBondContact O-N 3.22Å; L97-L121 HydrophobicContact CB-CD2 4.03Å; L97-L121 WeakPolarHBondContact O-CD2 3.49Å; L97-L121 PolarHBondContact O-N 3.1Å
98	T	90.2	Very high	90.3	Very high	69 Å²	69	38.4 Å²	38.4	42%	0.423	24%	0.235	S	C	.	.			trans	-100.1	-29	-179.6	50.3	0	0	0	0	113	N96 D120	N96-T98 PolarHBondContact O-N 3.3Å; T98-D120 HydrophobicContact CG2-CB 4.02Å
99	V	86.1	Confident	90.1	Very high	89 Å²	89	41.4 Å²	41.4	54%	0.539	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-141.8	138.8	-178.9	-178.1	0	0	0	0	109.6
100	M	85.8	Confident	89.9	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-85.8	124.4	169.7	-69.1	-67.7	-70.6	0	0	110.1	I79 L105 L116 L121 P125 A128 F129	I79-M100 HydrophobicContact CD1-CE 3.65Å; I79-M100 HydrophobicContact CD1-SD 3.88Å; M100-L105 HydrophobicContact CE-CD1 4.05Å; M100-L116 HydrophobicContact CE-CD1 3.75Å; M100-L116 HydrophobicContact CE-CD2 4.37Å; M100-L116 HydrophobicContact SD-CD1 4.01Å; M100-L116 HydrophobicContact SD-CD2 4Å; M100-L121 HydrophobicContact CG-CD1 4.17Å; M100-L121 HydrophobicContact CG-CD2 3.89Å; M100-L121 HydrophobicContact SD-CD1 4.29Å; M100-L121 HydrophobicContact SD-CD2 4.3Å; M100-P125 WeakPolarHBondContact O-CD 2.98Å; M100-P125 WeakPolarHBondContact O-CG 3.42Å; M100-A128 HydrophobicContact CB-CB 4.27Å; M100-F129 HydrophobicContact CE-CE1 4.13Å
101	T	80.2	Confident	89.9	Confident	85 Å²	85	44.3 Å²	44.3	52%	0.521	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-75.4	129.1	173.1	11	0	0	0	0	110.7	G103 A104	T101-G103 PolarHBondContact O-N 3.14Å; T101-A104 WeakPolarHBondContact O-CB 2.96Å; T101-A104 PolarHBondContact O-N 3.1Å
102	S	78.9	Confident	89.9	Confident	79 Å²	79	47.3 Å²	47.3	55%	0.552	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	132.6	177.2	-166.1	0	0	0	0	110.3	A104 R126	S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.41Å; S102-R126 PolarHBondContact OG-O 2.99Å; S102-R126 VanDerWaalsContact OG-O 3.06Å
103	G	78.1	Confident	90	Very high	31 Å²	31	49.1 Å²	49.1	32%	0.32	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-2.2	179.7	0	0	0	0	0	116.2	T101 L105 S106	T101-G103 PolarHBondContact O-N 3.14Å; G103-L105 PolarHBondContact O-N 3.39Å; G103-S106 WeakPolarHBondContact O-CB 3.21Å; G103-S106 PolarHBondContact O-N 2.89Å; G103-S106 VanDerWaalsContact O-N 3.11Å; G103-S106 PolarHBondContact O-OG 3.47Å
104	A	82.8	Confident	90	Very high	46 Å²	46	48.4 Å²	48.4	38%	0.38	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-30.7	-179.4	0	0	0	0	0	113.6	I79 T101 S102	I79-A104 HydrophobicContact CD1-CB 3.99Å; T101-A104 WeakPolarHBondContact O-CB 2.96Å; T101-A104 PolarHBondContact O-N 3.1Å; S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.41Å
105	L	89.7	Confident	90	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	9.1	-179.1	-57.5	174.6	0	0	0	113	I79 L83 L90 M100 G103 N107 L108 L114 L132	I79-L105 HydrophobicContact CD1-CD2 4.38Å; I79-L105 HydrophobicContact CD1-CG 4.31Å; I79-L105 HydrophobicContact CG2-CD2 3.94Å; L83-L105 HydrophobicContact CD1-CD2 4.2Å; L90-L105 HydrophobicContact CD2-CD2 3.87Å; M100-L105 HydrophobicContact CE-CD1 4.05Å; G103-L105 PolarHBondContact O-N 3.39Å; L105-N107 VanDerWaalsContact C-N 3.26Å; L105-N107 PolarHBondContact O-N 3.49Å; L105-N107 VanDerWaalsContact O-N 3.16Å; L105-L108 HydrophobicContact CB-CD1 4.35Å; L105-L108 HydrophobicContact CD2-CD1 3.75Å; L105-L108 PolarHBondContact O-N 3.25Å; L105-L108 VanDerWaalsContact O-N 3.12Å; L105-L114 HydrophobicContact CD1-CD1 4.32Å; L105-L114 HydrophobicContact CD1-CD2 3.6Å; L105-L132 HydrophobicContact CB-CD1 4.35Å; L105-L132 HydrophobicContact CB-CD2 4.13Å; L105-L132 HydrophobicContact CD1-CD1 4.33Å; L105-L132 WeakPolarHBondContact O-CD2 3.41Å
106	S	87.3	Confident	90.1	Very high	39 Å²	39	45.9 Å²	45.9	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.6	-166.7	57.5	0	0	0	0	115.7	G103 H109 S130	G103-S106 WeakPolarHBondContact O-CB 3.21Å; G103-S106 PolarHBondContact O-N 2.89Å; G103-S106 VanDerWaalsContact O-N 3.11Å; G103-S106 PolarHBondContact O-OG 3.47Å; S106-H109 PolarHBondContact O-CE1 2.83Å; S106-S130 VanDerWaalsContact CA-O 3.25Å; S106-S130 WeakPolarHBondContact CA-O 3.35Å
107	N	87.6	Confident	90.2	Very high	107 Å²	107	43.4 Å²	43.4	57%	0.572	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-2.3	-179.8	-64.1	-25.5	0	0	0	113.4	L105 H109	L105-N107 VanDerWaalsContact C-N 3.26Å; L105-N107 PolarHBondContact O-N 3.49Å; L105-N107 VanDerWaalsContact O-N 3.16Å; N107-H109 VanDerWaalsContact C-N 3.34Å; N107-H109 PolarHBondContact O-N 3.3Å; N107-H109 VanDerWaalsContact O-N 3.16Å
108	L	91.9	Very high	90.4	Very high	6 Å²	6	44 Å²	44	3%	0.031	26%	0.257	C	S	.	.			trans	-91.4	62.4	-174.8	-54.9	-178.2	0	0	0	111.9	L83 S84 L90 L105 F110 L111 L132	L83-L108 HydrophobicContact CB-CD2 4.11Å; L83-L108 HydrophobicContact CD1-CD1 4.07Å; S84-L108 WeakPolarHBondContact O-CD2 3.41Å; L90-L108 HydrophobicContact CD2-CD1 4.18Å; L105-L108 HydrophobicContact CB-CD1 4.35Å; L105-L108 HydrophobicContact CD2-CD1 3.75Å; L105-L108 PolarHBondContact O-N 3.25Å; L105-L108 VanDerWaalsContact O-N 3.12Å; L108-F110 PolarHBondContact O-N 3.3Å; L108-L111 HydrophobicContact CB-CB 4.11Å; L108-L111 HydrophobicContact CD1-CD2 4.39Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 3.47Å; L108-L132 HydrophobicContact CB-CD2 3.86Å; L108-L132 WeakPolarHBondContact O-CD2 3.44Å
109	H	90.9	Very high	90.7	Very high	75 Å²	75	41 Å²	41	35%	0.347	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.9	-174	-55.5	-46.9	0	0	0	114.4	S106 N107 G131 Y133	S106-H109 PolarHBondContact O-CE1 2.83Å; N107-H109 VanDerWaalsContact C-N 3.34Å; N107-H109 PolarHBondContact O-N 3.3Å; N107-H109 VanDerWaalsContact O-N 3.16Å; H109-G131 PolarHBondContact ND1-O 3.1Å; H109-Y133 AromaticContact ND1-CD2 3.85Å; H109-Y133 AromaticContact ND1-CE2 3.69Å
110	F	92.9	Very high	91.1	Very high	87 Å²	87	40.1 Å²	40.1	38%	0.382	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.5	179.8	-63.7	-76.3	0	0	0	113.9	L66 V85 F86 T87 S88 L108 E112	L66-F110 HydrophobicContact CD2-CB 3.88Å; L66-F110 HydrophobicContact CD2-CD1 4.36Å; L66-F110 HydrophobicContact CD2-CG 4.13Å; V85-F110 WeakPolarHBondContact O-CD2 3.48Å; F86-F110 HydrophobicContact CD1-CD2 4.32Å; F86-F110 HydrophobicContact CD1-CE2 4.18Å; F86-F110 HydrophobicContact CE1-CE2 4.36Å; T87-F110 CarbonylContact O-C 3.08Å; S88-F110 WeakPolarHBondContact CA-O 3.23Å; L108-F110 PolarHBondContact O-N 3.3Å; F110-E112 PolarHBondContact O-N 3.42Å
111	L	95.1	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.			trans	-66.1	120.9	-176.9	-164.6	71.9	0	0	0	110.6	T87 L90 L108 L114 L132 N134 L135	T87-L111 HydrophobicContact CG2-CD1 3.88Å; T87-L111 WeakPolarHBondContact O-CA 3.27Å; T87-L111 PolarHBondContact O-N 2.89Å; L90-L111 HydrophobicContact CB-CD1 3.7Å; L108-L111 HydrophobicContact CB-CB 4.11Å; L108-L111 HydrophobicContact CD1-CD2 4.39Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 3.47Å; L111-L114 HydrophobicContact CD2-CB 3.97Å; L111-L114 HydrophobicContact CD2-CD1 4.3Å; L111-L114 HydrophobicContact CD2-CD2 4.46Å; L111-L114 HydrophobicContact CD2-CG 4.48Å; L111-L132 HydrophobicContact CB-CD2 4.1Å; L111-L132 HydrophobicContact CD2-CD1 4.18Å; L111-L132 HydrophobicContact CD2-CD2 3.84Å; L111-N134 CarbonylContact O-C 3.33Å; L111-L135 HydrophobicContact CD2-CD1 4.13Å; L111-L135 HydrophobicContact CG-CD1 4.14Å; L111-L135 VanDerWaalsContact O-CA 3.24Å; L111-L135 WeakPolarHBondContact O-CA 3.44Å; L111-L135 PolarHBondContact O-N 2.83Å; L111-L135 VanDerWaalsContact O-N 3.09Å
112	E	96.1	Very high	92.2	Very high	75 Å²	75	39.4 Å²	39.4	35%	0.35	23%	0.229	S	C	.	.			trans	-102	-33.1	178.6	-56.7	-157.4	154	0	0	112.2	S88 F110 K136 V137	S88-E112 PolarHBondContact O-N 3.09Å; F110-E112 PolarHBondContact O-N 3.42Å; E112-K136 WeakPolarHBondContact O-CA 3.44Å; E112-K136 PolarHBondContact O-N 3.2Å; E112-K136 IonicContact OE1-NZ 2.67Å; E112-K136 PolarHBondContact OE1-NZ 2.97Å; E112-K136 IonicContact OE2-NZ 3.66Å; E112-K136 PolarHBondContact OE2-NZ 3.5Å; E112-V137 PolarHBondContact O-N 3.49Å
113	E	97.9	Very high	92.7	Very high	38 Å²	38	41.8 Å²	41.8	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	126.4	-179.1	179.2	170.5	177	0	0	111	S88 Y89 L90 R115 V137	S88-E113 PolarHBondContact O-N 2.99Å; Y89-E113 HydrophobicContact CD2-CB 3.93Å; Y89-E113 HydrophobicContact CD2-CG 3.9Å; Y89-E113 HydrophobicContact CE2-CG 4.02Å; L90-E113 PolarHBondContact N-O 3.15Å; E113-R115 HydrophobicContact CG-CG 4.32Å; E113-R115 IonicContact OE1-CZ 2.95Å; E113-R115 IonicContact OE1-NE 3.38Å; E113-R115 PolarHBondContact OE1-NE 3.31Å; E113-R115 IonicContact OE1-NH2 3.61Å; E113-R115 PolarHBondContact OE1-NH2 3.05Å; E113-V137 WeakPolarHBondContact CA-O 3.4Å; E113-V137 HydrophobicContact CB-CB 4.23Å; E113-V137 HydrophobicContact CG-CB 3.97Å; E113-V137 HydrophobicContact CG-CG1 4.18Å
114	L	97.5	Very high	93.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.1	176.5	177.4	58.5	0	0	0	109.8	L90 L105 L111 L116 F129 L132 L135 V137 L138 M139	L90-L114 HydrophobicContact CB-CD1 4.1Å; L90-L114 HydrophobicContact CD2-CD1 3.89Å; L90-L114 HydrophobicContact CG-CD1 4.04Å; L105-L114 HydrophobicContact CD1-CD1 4.32Å; L105-L114 HydrophobicContact CD1-CD2 3.6Å; L111-L114 HydrophobicContact CD2-CB 3.97Å; L111-L114 HydrophobicContact CD2-CD1 4.3Å; L111-L114 HydrophobicContact CD2-CD2 4.46Å; L111-L114 HydrophobicContact CD2-CG 4.48Å; L114-L116 HydrophobicContact CD1-CG 4.29Å; L114-L116 HydrophobicContact CD2-CD1 3.96Å; L114-L116 HydrophobicContact CG-CD1 4.1Å; L114-L116 HydrophobicContact CG-CG 4.21Å; L114-F129 HydrophobicContact CD2-CD1 4.03Å; L114-F129 HydrophobicContact CD2-CE1 3.9Å; L114-L132 HydrophobicContact CD2-CD1 4.08Å; L114-L135 HydrophobicContact CB-CD1 3.79Å; L114-V137 PolarHBondContact N-O 3.18Å; L114-L138 HydrophobicContact CB-CD1 4.07Å; L114-L138 HydrophobicContact CD2-CD1 3.88Å; L114-L138 HydrophobicContact CG-CD1 4.02Å; L114-M139 PolarHBondContact O-N 3.36Å
115	R	98.2	Very high	93.8	Very high	71 Å²	71	39.6 Å²	39.6	27%	0.268	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	175.3	-53.8	178.2	174.7	179.4	-1.6	111.9	Y89 L90 D91 L92 S93 E113 M139	Y89-R115 VanDerWaalsContact OH-CZ 3.23Å; Y89-R115 PolarHBondContact OH-NH1 2.96Å; L90-R115 PolarHBondContact O-N 2.86Å; D91-R115 VanDerWaalsContact OD2-CD 3.22Å; D91-R115 WeakPolarHBondContact OD2-CD 3.38Å; D91-R115 IonicContact OD2-NH1 3.32Å; D91-R115 PolarHBondContact OD2-NH1 3.34Å; L92-R115 WeakPolarHBondContact CA-O 3.23Å; L92-R115 WeakPolarHBondContact CB-O 3.4Å; L92-R115 PolarHBondContact N-O 2.99Å; S93-R115 WeakPolarHBondContact OG-CB 3.28Å; E113-R115 HydrophobicContact CG-CG 4.32Å; E113-R115 IonicContact OE1-CZ 2.95Å; E113-R115 IonicContact OE1-NE 3.38Å; E113-R115 PolarHBondContact OE1-NE 3.31Å; E113-R115 IonicContact OE1-NH2 3.61Å; E113-R115 PolarHBondContact OE1-NH2 3.05Å; R115-M139 HydrophobicContact CB-CB 4.27Å; R115-M139 HydrophobicContact CG-CB 4.18Å; R115-M139 HydrophobicContact CG-CG 4.26Å; R115-M139 HydrophobicContact CG-SD 3.87Å
116	L	97	Very high	93.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.			trans	-130.2	24.3	179.6	-71.8	164.7	0	0	0	110.2	L92 L97 M100 L114 N119 L121 F129 M139 L140 N143	L92-L116 HydrophobicContact CB-CD2 3.93Å; L92-L116 HydrophobicContact CD1-CD2 3.88Å; L97-L116 HydrophobicContact CD1-CD2 3.91Å; M100-L116 HydrophobicContact CE-CD1 3.75Å; M100-L116 HydrophobicContact CE-CD2 4.37Å; M100-L116 HydrophobicContact SD-CD1 4.01Å; M100-L116 HydrophobicContact SD-CD2 4Å; L114-L116 HydrophobicContact CD1-CG 4.29Å; L114-L116 HydrophobicContact CD2-CD1 3.96Å; L114-L116 HydrophobicContact CG-CD1 4.1Å; L114-L116 HydrophobicContact CG-CG 4.21Å; L116-N119 PolarHBondContact O-ND2 3.26Å; L116-N119 VanDerWaalsContact O-ND2 3.09Å; L116-L121 HydrophobicContact CB-CD1 4.32Å; L116-F129 HydrophobicContact CD1-CE1 4.05Å; L116-F129 HydrophobicContact CD1-CZ 4.45Å; L116-M139 CarbonylContact C-O 3.1Å; L116-M139 WeakPolarHBondContact CA-O 3.37Å; L116-M139 WeakPolarHBondContact CB-O 3.48Å; L116-M139 PolarHBondContact N-O 3.13Å; L116-L140 HydrophobicContact CB-CD2 3.83Å; L116-L140 HydrophobicContact CD1-CD2 3.8Å; L116-L140 HydrophobicContact CG-CD2 4.48Å; L116-N143 PolarHBondContact O-ND2 2.88Å
117	A	97.3	Very high	93.6	Very high	12 Å²	12	46.8 Å²	46.8	10%	0.099	23%	0.232	C	C	.	.			trans	-70.9	148.9	-174.1	0	0	0	0	0	112.2	S93 M94 N119 Q141	S93-A117 CarbonylContact C-O 3.06Å; S93-A117 WeakPolarHBondContact CA-O 3.27Å; S93-A117 WeakPolarHBondContact CB-O 3.17Å; M94-A117 PolarHBondContact N-O 3.17Å; A117-N119 PolarHBondContact O-N 3.42Å; A117-N119 PolarHBondContact O-ND2 3.25Å; A117-Q141 CarbonylContact C-O 3.38Å; A117-Q141 WeakPolarHBondContact CA-O 3.32Å; A117-Q141 VanDerWaalsContact CB-CD 3.45Å; A117-Q141 HydrophobicContact CB-CG 3.86Å
118	G	96.3	Very high	93.8	Very high	14 Å²	14	41.7 Å²	41.7	14%	0.144	21%	0.205	C	C	.	.	S	Bend	trans	65	41.1	175	0	0	0	0	0	113.3	M94 N95 Q141 N142	M94-G118 VanDerWaalsContact CA-O 3.25Å; M94-G118 WeakPolarHBondContact CA-O 3.26Å; M94-G118 PolarHBondContact N-O 3.15Å; N95-G118 PolarHBondContact N-O 2.96Å; G118-Q141 PolarHBondContact N-O 3.08Å; G118-N142 CarbonylContact C-O 3.56Å; G118-N142 WeakPolarHBondContact CA-O 3.44Å; G118-N142 PolarHBondContact N-O 3.32Å; G118-N142 VanDerWaalsContact N-O 3.09Å
119	N	96.6	Very high	93.8	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	-115.3	177.4	173.4	-79.5	-83.6	0	0	0	109.8	L92 N95 L97 L116 A117 L121 N142 N143	L92-N119 PolarHBondContact O-ND2 3.15Å; N95-N119 VanDerWaalsContact CA-OD1 3.31Å; N95-N119 WeakPolarHBondContact CA-OD1 3.44Å; N95-N119 WeakPolarHBondContact CB-OD1 3.2Å; N95-N119 PolarHBondContact N-OD1 3.31Å; N95-N119 PolarHBondContact O-OD1 2.88Å; N95-N119 VanDerWaalsContact O-OD1 3.07Å; L97-N119 HydrophobicContact CB-CB 4.13Å; L97-N119 VanDerWaalsContact CB-OD1 3.26Å; L97-N119 WeakPolarHBondContact CB-OD1 3.23Å; L97-N119 WeakPolarHBondContact CG-OD1 3.36Å; L97-N119 PolarHBondContact N-OD1 3.35Å; L97-N119 VanDerWaalsContact N-OD1 3.12Å; L116-N119 PolarHBondContact O-ND2 3.26Å; L116-N119 VanDerWaalsContact O-ND2 3.09Å; A117-N119 PolarHBondContact O-N 3.42Å; A117-N119 PolarHBondContact O-ND2 3.25Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-L121 HydrophobicContact CB-CD1 4.5Å; N119-L121 HydrophobicContact CB-CG 4.08Å; N119-N142 PolarHBondContact N-O 3.21Å; N119-N143 WeakPolarHBondContact CA-OD1 3.11Å; N119-N143 WeakPolarHBondContact CB-OD1 3.29Å; N119-N143 PolarHBondContact N-OD1 3.32Å; N119-N143 WeakPolarHBondContact O-CA 3.44Å; N119-N143 PolarHBondContact O-OD1 3Å
120	D	95.5	Very high	93.7	Very high	72 Å²	72	41.1 Å²	41.1	39%	0.385	21%	0.209	S	C	.	.			trans	-99.1	33.2	178.7	-73.1	-41.2	0	0	0	112.1	N96 L97 T98 S122	N96-D120 PolarHBondContact OD1-OD2 3.25Å; L97-D120 CarbonylContact O-C 3.26Å; L97-D120 WeakPolarHBondContact O-CA 3.38Å; L97-D120 PolarHBondContact O-N 3.22Å; T98-D120 HydrophobicContact CG2-CB 4.02Å; D120-S122 PolarHBondContact O-N 3.42Å; D120-S122 VanDerWaalsContact O-N 3.14Å
121	L	95.3	Very high	93.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.			trans	-70.4	112.7	-176.2	-61.7	174.3	0	0	0	110.6	L97 M100 L116 N119 L140 N143 Q144 L145	L97-L121 HydrophobicContact CB-CD2 4.03Å; L97-L121 WeakPolarHBondContact O-CD2 3.49Å; L97-L121 PolarHBondContact O-N 3.1Å; M100-L121 HydrophobicContact CG-CD1 4.17Å; M100-L121 HydrophobicContact CG-CD2 3.89Å; M100-L121 HydrophobicContact SD-CD1 4.29Å; M100-L121 HydrophobicContact SD-CD2 4.3Å; L116-L121 HydrophobicContact CB-CD1 4.32Å; N119-L121 VanDerWaalsContact C-N 3.34Å; N119-L121 HydrophobicContact CB-CD1 4.5Å; N119-L121 HydrophobicContact CB-CG 4.08Å; L121-L140 HydrophobicContact CD1-CD2 4.21Å; L121-N143 HydrophobicContact CB-CB 4.26Å; L121-N143 WeakPolarHBondContact CB-OD1 3.42Å; L121-N143 VanDerWaalsContact CG-OD1 3.31Å; L121-N143 WeakPolarHBondContact CG-OD1 3.42Å; L121-N143 PolarHBondContact N-OD1 3.35Å; L121-N143 VanDerWaalsContact N-OD1 3.17Å; L121-Q144 CarbonylContact O-C 3.43Å; L121-Q144 VanDerWaalsContact O-C 3.26Å; L121-Q144 WeakPolarHBondContact O-CA 3.26Å; L121-Q144 PolarHBondContact O-N 3.18Å; L121-L145 WeakPolarHBondContact O-CD2 3.31Å; L121-L145 PolarHBondContact O-N 3.05Å
122	S	92.6	Very high	93.4	Very high	72 Å²	72	37.4 Å²	37.4	50%	0.503	20%	0.195	S	C	.	.			trans	-94.2	-24.6	176	57.7	0	0	0	0	113.4	D120	D120-S122 PolarHBondContact O-N 3.42Å; D120-S122 VanDerWaalsContact O-N 3.14Å
123	F	91.3	Very high	93.1	Very high	129 Å²	129	40 Å²	40	57%	0.566	20%	0.202	S	C	*	.	B	Isolated β-bridge	trans	-151.5	142.1	-177.4	177.1	-105.1	0	0	0	111.7	P125	F123-P125 VanDerWaalsContact CE1-CA 3.48Å; F123-P125 HydrophobicContact CE1-CB 3.84Å
124	I	92.7	Very high	92.8	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	21%	0.21	C	C	.	.			trans	-116.1	114.8	174.5	-55.8	-177.6	0	0	0	108.4	A128 F129 L140 L145 P149 A152	I124-A128 HydrophobicContact CG2-CB 3.61Å; I124-F129 HydrophobicContact CD1-CE2 4.29Å; I124-F129 HydrophobicContact CD1-CZ 4.09Å; I124-F129 HydrophobicContact CG2-CE2 3.73Å; I124-F129 HydrophobicContact CG2-CZ 3.96Å; I124-L140 HydrophobicContact CD1-CD1 3.66Å; I124-L140 HydrophobicContact CD1-CD2 3.72Å; I124-L140 HydrophobicContact CD1-CG 4.34Å; I124-L145 HydrophobicContact CD1-CD1 4.26Å; I124-L145 HydrophobicContact CD1-CD2 4.32Å; I124-L145 HydrophobicContact CG1-CD2 4.05Å; I124-P149 HydrophobicContact CB-CB 4.17Å; I124-P149 HydrophobicContact CB-CG 3.84Å; I124-P149 HydrophobicContact CD1-CG 3.97Å; I124-P149 HydrophobicContact CG1-CG 4.13Å; I124-A152 HydrophobicContact CB-CB 4.36Å; I124-A152 HydrophobicContact CG2-CB 3.67Å
125	P	90	Very high	92.8	Very high	25 Å²	25	41.2 Å²	41.2	16%	0.162	21%	0.21	C	C	.	.			trans	-72.1	159	-178.1	28.7	-31.4	0	0	0	112.2	M100 F123 G127 A128	M100-P125 WeakPolarHBondContact O-CD 2.98Å; M100-P125 WeakPolarHBondContact O-CG 3.42Å; F123-P125 VanDerWaalsContact CE1-CA 3.48Å; F123-P125 HydrophobicContact CE1-CB 3.84Å; P125-G127 PolarHBondContact O-N 3.35Å; P125-A128 HydrophobicContact CG-CB 4.26Å; P125-A128 VanDerWaalsContact O-CB 3.27Å; P125-A128 WeakPolarHBondContact O-CB 3.38Å; P125-A128 PolarHBondContact O-N 3.28Å; P125-A128 VanDerWaalsContact O-N 3.17Å
126	R	88.4	Confident	92.8	Very high	173 Å²	173	41.2 Å²	41.2	65%	0.653	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	135.1	170.3	-173.3	-168.2	-177.5	142.9	-10.7	110.4	S102 A128 E151	S102-R126 PolarHBondContact OG-O 2.99Å; S102-R126 VanDerWaalsContact OG-O 3.06Å; R126-A128 VanDerWaalsContact C-N 3.26Å; R126-A128 PolarHBondContact O-N 2.83Å; R126-E151 HydrophobicContact CB-CB 4.37Å; R126-E151 WeakPolarHBondContact CD-OE2 3.13Å; R126-E151 HydrophobicContact CG-CB 4Å; R126-E151 IonicContact CZ-OE2 2.76Å; R126-E151 IonicContact NE-OE2 3.7Å; R126-E151 PolarHBondContact NE-OE2 2.95Å; R126-E151 IonicContact NH1-OE1 2.86Å; R126-E151 IonicContact NH1-OE2 3.89Å; R126-E151 PolarHBondContact NH1-OE2 3.43Å
127	G	85.6	Confident	92.8	Very high	17 Å²	17	42.7 Å²	42.7	18%	0.175	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	8.9	178.1	0	0	0	0	0	114.9	P125 F129 S130	P125-G127 PolarHBondContact O-N 3.35Å; G127-F129 PolarHBondContact O-N 2.88Å; G127-S130 VanDerWaalsContact O-CB 3.28Å; G127-S130 WeakPolarHBondContact O-CB 3.2Å; G127-S130 PolarHBondContact O-N 3.42Å; G127-S130 VanDerWaalsContact O-N 3.1Å
128	A	90.1	Very high	92.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35.8	173.2	0	0	0	0	0	112.7	M100 I124 P125 R126	M100-A128 HydrophobicContact CB-CB 4.27Å; I124-A128 HydrophobicContact CG2-CB 3.61Å; P125-A128 HydrophobicContact CG-CB 4.26Å; P125-A128 VanDerWaalsContact O-CB 3.27Å; P125-A128 WeakPolarHBondContact O-CB 3.38Å; P125-A128 PolarHBondContact O-N 3.28Å; P125-A128 VanDerWaalsContact O-N 3.17Å; R126-A128 VanDerWaalsContact C-N 3.26Å; R126-A128 PolarHBondContact O-N 2.83Å
129	F	92.3	Very high	93	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	13.9	178.7	-51.6	-56.5	0	0	0	113.3	M100 L114 L116 I124 G127 G131 L132 L138 L140 A152 F153 L156	M100-F129 HydrophobicContact CE-CE1 4.13Å; L114-F129 HydrophobicContact CD2-CD1 4.03Å; L114-F129 HydrophobicContact CD2-CE1 3.9Å; L116-F129 HydrophobicContact CD1-CE1 4.05Å; L116-F129 HydrophobicContact CD1-CZ 4.45Å; I124-F129 HydrophobicContact CD1-CE2 4.29Å; I124-F129 HydrophobicContact CD1-CZ 4.09Å; I124-F129 HydrophobicContact CG2-CE2 3.73Å; I124-F129 HydrophobicContact CG2-CZ 3.96Å; G127-F129 PolarHBondContact O-N 2.88Å; F129-G131 PolarHBondContact O-N 3.42Å; F129-L132 HydrophobicContact CB-CD1 4.06Å; F129-L132 HydrophobicContact CD1-CD1 4.09Å; F129-L132 WeakPolarHBondContact O-CB 3.47Å; F129-L132 PolarHBondContact O-N 2.67Å; F129-L138 HydrophobicContact CD2-CD2 4.22Å; F129-L138 HydrophobicContact CE1-CD1 4.1Å; F129-L138 HydrophobicContact CE1-CD2 4.36Å; F129-L138 HydrophobicContact CE2-CD2 3.88Å; F129-L138 HydrophobicContact CZ-CD1 4.23Å; F129-L138 HydrophobicContact CZ-CD2 3.96Å; F129-L140 HydrophobicContact CZ-CD1 4.27Å; F129-L140 HydrophobicContact CZ-CD2 4.46Å; F129-A152 HydrophobicContact CD2-CB 4.11Å; F129-A152 WeakPolarHBondContact CD2-O 3.25Å; F129-A152 HydrophobicContact CE2-CB 4.14Å; F129-F153 HydrophobicContact CD2-CD1 4.02Å; F129-F153 HydrophobicContact CD2-CE1 4.19Å; F129-F153 HydrophobicContact CE2-CD1 4.03Å; F129-F153 AromaticContact CE2-CE1 3.72Å; F129-F153 HydrophobicContact CE2-CE1 3.72Å; F129-L156 HydrophobicContact CB-CD1 4.15Å; F129-L156 HydrophobicContact CB-CD2 4.17Å; F129-L156 HydrophobicContact CD2-CD1 4.45Å
130	S	89.3	Confident	93	Very high	67 Å²	67	42.7 Å²	42.7	47%	0.469	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	139	176.4	-172.6	0	0	0	0	110	S106 G127	S106-S130 VanDerWaalsContact CA-O 3.25Å; S106-S130 WeakPolarHBondContact CA-O 3.35Å; G127-S130 VanDerWaalsContact O-CB 3.28Å; G127-S130 WeakPolarHBondContact O-CB 3.2Å; G127-S130 PolarHBondContact O-N 3.42Å; G127-S130 VanDerWaalsContact O-N 3.1Å
131	G	87.6	Confident	93.1	Very high	6 Å²	6	40.5 Å²	40.5	6%	0.062	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	-10.4	-179.8	0	0	0	0	0	115.4	H109 F129 Y133	H109-G131 PolarHBondContact ND1-O 3.1Å; F129-G131 PolarHBondContact O-N 3.42Å; G131-Y133 VanDerWaalsContact C-N 3.31Å; G131-Y133 WeakPolarHBondContact O-CD2 3.26Å; G131-Y133 PolarHBondContact O-N 2.88Å; G131-Y133 VanDerWaalsContact O-N 3.11Å
132	L	93	Very high	93.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.225	C	C	.	.			trans	-86.7	59.6	179.9	-55.9	-175.9	0	0	0	112.5	L105 L108 L111 L114 F129 N134 L135 L156	L105-L132 HydrophobicContact CB-CD1 4.35Å; L105-L132 HydrophobicContact CB-CD2 4.13Å; L105-L132 HydrophobicContact CD1-CD1 4.33Å; L105-L132 WeakPolarHBondContact O-CD2 3.41Å; L108-L132 HydrophobicContact CB-CD2 3.86Å; L108-L132 WeakPolarHBondContact O-CD2 3.44Å; L111-L132 HydrophobicContact CB-CD2 4.1Å; L111-L132 HydrophobicContact CD2-CD1 4.18Å; L111-L132 HydrophobicContact CD2-CD2 3.84Å; L114-L132 HydrophobicContact CD2-CD1 4.08Å; F129-L132 HydrophobicContact CB-CD1 4.06Å; F129-L132 HydrophobicContact CD1-CD1 4.09Å; F129-L132 WeakPolarHBondContact O-CB 3.47Å; F129-L132 PolarHBondContact O-N 2.67Å; L132-N134 VanDerWaalsContact C-N 3.3Å; L132-N134 PolarHBondContact O-N 2.88Å; L132-L135 HydrophobicContact CB-CB 4.1Å; L132-L135 HydrophobicContact CB-CD2 4.43Å; L132-L135 HydrophobicContact CD1-CD2 4.14Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 3.37Å; L132-L156 HydrophobicContact CB-CD2 4.24Å
133	Y	89.8	Confident	93.4	Very high	131 Å²	131	41.3 Å²	41.3	51%	0.514	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.8	-170.8	-54.2	-63.5	0	0	0	114.4	H109 G131 N158	H109-Y133 AromaticContact ND1-CD2 3.85Å; H109-Y133 AromaticContact ND1-CE2 3.69Å; G131-Y133 VanDerWaalsContact C-N 3.31Å; G131-Y133 WeakPolarHBondContact O-CD2 3.26Å; G131-Y133 PolarHBondContact O-N 2.88Å; G131-Y133 VanDerWaalsContact O-N 3.11Å; Y133-N158 PolarHBondContact O-ND2 2.84Å
134	N	93.5	Very high	93.7	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.332	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6.6	-178.4	-73.3	-10	0	0	0	113.9	L111 L132 K136	L111-N134 CarbonylContact O-C 3.33Å; L132-N134 VanDerWaalsContact C-N 3.3Å; L132-N134 PolarHBondContact O-N 2.88Å; N134-K136 PolarHBondContact O-N 3.39Å
135	L	96.4	Very high	93.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.			trans	-64	121.3	-176.6	-164.5	72	0	0	0	110.4	L111 L114 L132 L138 L156 N158 L159	L111-L135 HydrophobicContact CD2-CD1 4.13Å; L111-L135 HydrophobicContact CG-CD1 4.14Å; L111-L135 VanDerWaalsContact O-CA 3.24Å; L111-L135 WeakPolarHBondContact O-CA 3.44Å; L111-L135 PolarHBondContact O-N 2.83Å; L111-L135 VanDerWaalsContact O-N 3.09Å; L114-L135 HydrophobicContact CB-CD1 3.79Å; L132-L135 HydrophobicContact CB-CB 4.1Å; L132-L135 HydrophobicContact CB-CD2 4.43Å; L132-L135 HydrophobicContact CD1-CD2 4.14Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 3.37Å; L135-L138 HydrophobicContact CD2-CB 4.16Å; L135-L138 HydrophobicContact CD2-CD1 4.47Å; L135-L156 HydrophobicContact CD2-CD1 4.43Å; L135-L156 HydrophobicContact CD2-CD2 4.42Å; L135-N158 CarbonylContact O-C 3.53Å; L135-L159 HydrophobicContact CD2-CD1 4.05Å; L135-L159 HydrophobicContact CG-CD1 4.03Å; L135-L159 WeakPolarHBondContact O-CA 3.45Å; L135-L159 PolarHBondContact O-N 3.45Å
136	K	97.6	Very high	94.2	Very high	72 Å²	72	46.5 Å²	46.5	31%	0.313	22%	0.217	S	C	.	.			trans	-103.7	-36.3	178.1	-64	174.2	-167	157.3	0	111.4	E112 N134 Q160 S161	E112-K136 WeakPolarHBondContact O-CA 3.44Å; E112-K136 PolarHBondContact O-N 3.2Å; E112-K136 IonicContact OE1-NZ 2.67Å; E112-K136 PolarHBondContact OE1-NZ 2.97Å; E112-K136 IonicContact OE2-NZ 3.66Å; E112-K136 PolarHBondContact OE2-NZ 3.5Å; N134-K136 PolarHBondContact O-N 3.39Å; K136-Q160 PolarHBondContact O-N 3.41Å; K136-S161 PolarHBondContact O-N 2.97Å
137	V	98.4	Very high	94.5	Very high	31 Å²	31	40.7 Å²	40.7	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.3	-175	-175.7	0	0	0	0	110.1	E112 E113 L114 M139 S161	E112-V137 PolarHBondContact O-N 3.49Å; E113-V137 WeakPolarHBondContact CA-O 3.4Å; E113-V137 HydrophobicContact CB-CB 4.23Å; E113-V137 HydrophobicContact CG-CB 3.97Å; E113-V137 HydrophobicContact CG-CG1 4.18Å; L114-V137 PolarHBondContact N-O 3.18Å; V137-M139 HydrophobicContact CG1-CE 3.8Å; V137-M139 HydrophobicContact CG1-CG 4.13Å; V137-S161 WeakPolarHBondContact CA-O 3.47Å
138	L	97.9	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.8	173.8	179.4	56.7	0	0	0	109.7	L114 F129 L135 L140 F153 L159 S161 L162 R163	L114-L138 HydrophobicContact CB-CD1 4.07Å; L114-L138 HydrophobicContact CD2-CD1 3.88Å; L114-L138 HydrophobicContact CG-CD1 4.02Å; F129-L138 HydrophobicContact CD2-CD2 4.22Å; F129-L138 HydrophobicContact CE1-CD1 4.1Å; F129-L138 HydrophobicContact CE1-CD2 4.36Å; F129-L138 HydrophobicContact CE2-CD2 3.88Å; F129-L138 HydrophobicContact CZ-CD1 4.23Å; F129-L138 HydrophobicContact CZ-CD2 3.96Å; L135-L138 HydrophobicContact CD2-CB 4.16Å; L135-L138 HydrophobicContact CD2-CD1 4.47Å; L138-L140 HydrophobicContact CD1-CD1 4.47Å; L138-L140 HydrophobicContact CD1-CG 4.27Å; L138-L140 HydrophobicContact CD2-CD1 3.98Å; L138-L140 HydrophobicContact CG-CD1 4.05Å; L138-L140 HydrophobicContact CG-CG 4.18Å; L138-F153 HydrophobicContact CD2-CD1 4.1Å; L138-F153 HydrophobicContact CD2-CE1 3.75Å; L138-L159 HydrophobicContact CB-CD1 3.79Å; L138-S161 PolarHBondContact N-O 2.91Å; L138-L162 HydrophobicContact CB-CD1 4.09Å; L138-L162 HydrophobicContact CD2-CD1 3.91Å; L138-L162 HydrophobicContact CG-CD1 4.04Å; L138-R163 PolarHBondContact O-N 3.35Å
139	M	98.4	Very high	95.1	Very high	30 Å²	30	40.6 Å²	40.6	15%	0.148	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	112.7	-179	-67.3	-165.7	-165.5	0	0	111.3	L114 R115 L116 V137 R163	L114-M139 PolarHBondContact O-N 3.36Å; R115-M139 HydrophobicContact CB-CB 4.27Å; R115-M139 HydrophobicContact CG-CB 4.18Å; R115-M139 HydrophobicContact CG-CG 4.26Å; R115-M139 HydrophobicContact CG-SD 3.87Å; L116-M139 CarbonylContact C-O 3.1Å; L116-M139 WeakPolarHBondContact CA-O 3.37Å; L116-M139 WeakPolarHBondContact CB-O 3.48Å; L116-M139 PolarHBondContact N-O 3.13Å; V137-M139 HydrophobicContact CG1-CE 3.8Å; V137-M139 HydrophobicContact CG1-CG 4.13Å; M139-R163 HydrophobicContact CG-CB 4.48Å
140	L	97.6	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.			trans	-124.6	17.4	-179.3	-70.7	165.3	0	0	0	112.3	L116 L121 I124 F129 L138 N143 F153 R163 L164 N167	L116-L140 HydrophobicContact CB-CD2 3.83Å; L116-L140 HydrophobicContact CD1-CD2 3.8Å; L116-L140 HydrophobicContact CG-CD2 4.48Å; L121-L140 HydrophobicContact CD1-CD2 4.21Å; I124-L140 HydrophobicContact CD1-CD1 3.66Å; I124-L140 HydrophobicContact CD1-CD2 3.72Å; I124-L140 HydrophobicContact CD1-CG 4.34Å; F129-L140 HydrophobicContact CZ-CD1 4.27Å; F129-L140 HydrophobicContact CZ-CD2 4.46Å; L138-L140 HydrophobicContact CD1-CD1 4.47Å; L138-L140 HydrophobicContact CD1-CG 4.27Å; L138-L140 HydrophobicContact CD2-CD1 3.98Å; L138-L140 HydrophobicContact CG-CD1 4.05Å; L138-L140 HydrophobicContact CG-CG 4.18Å; L140-N143 PolarHBondContact O-ND2 2.93Å; L140-F153 HydrophobicContact CD1-CE1 4.1Å; L140-F153 HydrophobicContact CD1-CZ 4.22Å; L140-R163 WeakPolarHBondContact CA-O 3.47Å; L140-R163 WeakPolarHBondContact CB-O 3.2Å; L140-R163 PolarHBondContact N-O 2.92Å; L140-L164 HydrophobicContact CB-CD2 3.93Å; L140-L164 HydrophobicContact CD1-CD2 3.85Å; L140-N167 PolarHBondContact O-ND2 2.02Å
141	Q	97.6	Very high	94.2	Very high	25 Å²	25	44 Å²	44	12%	0.117	22%	0.216	C	C	.	.			trans	-68.7	157.9	-177.7	70.5	-83.2	13.6	0	0	113.6	A117 G118 N143 D165	A117-Q141 CarbonylContact C-O 3.38Å; A117-Q141 WeakPolarHBondContact CA-O 3.32Å; A117-Q141 VanDerWaalsContact CB-CD 3.45Å; A117-Q141 HydrophobicContact CB-CG 3.86Å; G118-Q141 PolarHBondContact N-O 3.08Å; Q141-N143 PolarHBondContact O-ND2 3.33Å; Q141-D165 CarbonylContact C-O 3.25Å; Q141-D165 WeakPolarHBondContact CA-O 3Å; Q141-D165 HydrophobicContact CB-CB 4.44Å; Q141-D165 VanDerWaalsContact CB-CG 3.44Å; Q141-D165 VanDerWaalsContact CB-O 3.23Å; Q141-D165 WeakPolarHBondContact CB-O 3.45Å; Q141-D165 WeakPolarHBondContact CB-OD1 3.17Å; Q141-D165 VanDerWaalsContact CB-OD2 3.25Å; Q141-D165 WeakPolarHBondContact CB-OD2 3.45Å
142	N	97.6	Very high	94.2	Very high	88 Å²	88	43.8 Å²	43.8	47%	0.471	21%	0.214	S	C	.	.	S	Bend	trans	54.7	54.4	-179.4	-164.5	27.5	0	0	0	111.8	G118 N119 D165 A166	G118-N142 CarbonylContact C-O 3.56Å; G118-N142 WeakPolarHBondContact CA-O 3.44Å; G118-N142 PolarHBondContact N-O 3.32Å; G118-N142 VanDerWaalsContact N-O 3.09Å; N119-N142 PolarHBondContact N-O 3.21Å; N142-D165 PolarHBondContact N-O 3.49Å; N142-D165 VanDerWaalsContact N-O 3.11Å; N142-A166 WeakPolarHBondContact CA-O 3.39Å; N142-A166 HydrophobicContact CB-CB 4.37Å; N142-A166 PolarHBondContact N-O 3.11Å; N142-A166 VanDerWaalsContact N-O 3.08Å
143	N	97.6	Very high	94	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.011	21%	0.213	C	C	.	.	S	Bend	trans	-125.6	-174.8	174.4	-84.3	-82.2	0	0	0	109.5	L116 N119 L121 L140 Q141 L145 A166 N167	L116-N143 PolarHBondContact O-ND2 2.88Å; N119-N143 WeakPolarHBondContact CA-OD1 3.11Å; N119-N143 WeakPolarHBondContact CB-OD1 3.29Å; N119-N143 PolarHBondContact N-OD1 3.32Å; N119-N143 WeakPolarHBondContact O-CA 3.44Å; N119-N143 PolarHBondContact O-OD1 3Å; L121-N143 HydrophobicContact CB-CB 4.26Å; L121-N143 WeakPolarHBondContact CB-OD1 3.42Å; L121-N143 VanDerWaalsContact CG-OD1 3.31Å; L121-N143 WeakPolarHBondContact CG-OD1 3.42Å; L121-N143 PolarHBondContact N-OD1 3.35Å; L121-N143 VanDerWaalsContact N-OD1 3.17Å; L140-N143 PolarHBondContact O-ND2 2.93Å; Q141-N143 PolarHBondContact O-ND2 3.33Å; N143-L145 HydrophobicContact CB-CG 4.32Å; N143-A166 PolarHBondContact N-O 2.87Å; N143-N167 WeakPolarHBondContact CA-OD1 3.5Å; N143-N167 WeakPolarHBondContact CB-OD1 3.36Å; N143-N167 PolarHBondContact N-OD1 2.76Å; N143-N167 PolarHBondContact O-OD1 3.37Å; N143-N167 VanDerWaalsContact O-OD1 3.09Å
144	Q	96.8	Very high	93.7	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.35	21%	0.205	S	C	.	.			trans	-104.8	24.5	-175.8	-57.7	-62.8	-27.7	0	0	112.4	L121 R146 H168	L121-Q144 CarbonylContact O-C 3.43Å; L121-Q144 VanDerWaalsContact O-C 3.26Å; L121-Q144 WeakPolarHBondContact O-CA 3.26Å; L121-Q144 PolarHBondContact O-N 3.18Å; Q144-R146 PolarHBondContact O-N 3.19Å; Q144-H168 PolarHBondContact OE1-CD2 3.03Å; Q144-H168 PolarHBondContact OE1-NE2 3.38Å; Q144-H168 VanDerWaalsContact OE1-NE2 3.12Å
145	L	96.4	Very high	92.9	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.215	C	C	.	.			trans	-69.8	127.9	-174.5	-60.6	174.6	0	0	0	110.5	L121 I124 N143 L164 N167 H168 I169	L121-L145 WeakPolarHBondContact O-CD2 3.31Å; L121-L145 PolarHBondContact O-N 3.05Å; I124-L145 HydrophobicContact CD1-CD1 4.26Å; I124-L145 HydrophobicContact CD1-CD2 4.32Å; I124-L145 HydrophobicContact CG1-CD2 4.05Å; N143-L145 HydrophobicContact CB-CG 4.32Å; L145-L164 HydrophobicContact CD1-CD2 4.03Å; L145-N167 HydrophobicContact CB-CB 4.35Å; L145-N167 VanDerWaalsContact CB-OD1 3.29Å; L145-N167 WeakPolarHBondContact CB-OD1 3.47Å; L145-N167 WeakPolarHBondContact CG-OD1 3.32Å; L145-N167 PolarHBondContact N-OD1 2.75Å; L145-N167 VanDerWaalsContact N-OD1 3.11Å; L145-H168 CarbonylContact O-C 3.25Å; L145-H168 VanDerWaalsContact O-CA 3.28Å; L145-H168 WeakPolarHBondContact O-CA 3.37Å; L145-H168 PolarHBondContact O-N 3.13Å; L145-I169 HydrophobicContact CB-CG1 4.18Å; L145-I169 WeakPolarHBondContact O-CG1 3.44Å; L145-I169 PolarHBondContact O-N 3.05Å; L145-I169 VanDerWaalsContact O-N 3.1Å
146	R	95.8	Very high	92.7	Very high	191 Å²	191	42.1 Å²	42.1	72%	0.721	22%	0.216	S	C	*	.	S	Bend	trans	-95.3	-16.4	177.8	-64	-174.8	-179.5	-156.4	-1.1	114.4	Q144 H168 I169 S170	Q144-R146 PolarHBondContact O-N 3.19Å; R146-H168 WeakPolarHBondContact CA-O 3.37Å; R146-I169 WeakPolarHBondContact O-CA 3.36Å; R146-S170 PolarHBondContact O-N 3.16Å; R146-S170 PolarHBondContact O-OG 3.46Å
147	S	96	Very high	92.3	Very high	51 Å²	51	42.5 Å²	42.5	36%	0.357	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-153.3	152.6	179.2	-173.6	0	0	0	0	109.9	G171 P173	S147-G171 VanDerWaalsContact CA-O 3.32Å; S147-G171 WeakPolarHBondContact CA-O 3.39Å; S147-G171 WeakPolarHBondContact CB-O 3.45Å; S147-G171 PolarHBondContact OG-O 3.32Å; S147-P173 WeakPolarHBondContact OG-CD 3.12Å
148	V	95.7	Very high	92.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.227	C	C	.	.			trans	-65.5	129.2	174.2	-178.5	0	0	0	0	109.5	A150 F153 L164 I169 G171 V172 P173 C176 F177 L188	V148-A150 PolarHBondContact O-N 3.04Å; V148-F153 HydrophobicContact CG1-CD2 4.5Å; V148-F153 HydrophobicContact CG1-CE2 3.77Å; V148-L164 HydrophobicContact CG1-CD1 4.23Å; V148-L164 HydrophobicContact CG2-CD1 4.28Å; V148-I169 HydrophobicContact CG2-CD1 4.23Å; V148-I169 HydrophobicContact CG2-CG2 3.92Å; V148-G171 PolarHBondContact N-O 3.25Å; V148-V172 HydrophobicContact CB-CG1 4.22Å; V148-V172 HydrophobicContact CG2-CB 4.23Å; V148-V172 HydrophobicContact CG2-CG1 3.98Å; V148-V172 HydrophobicContact CG2-CG2 3.82Å; V148-P173 WeakPolarHBondContact O-CD 3.49Å; V148-C176 HydrophobicContact CG1-CB 4.05Å; V148-F177 HydrophobicContact CG1-CE1 3.86Å; V148-F177 HydrophobicContact CG1-CZ 4.06Å; V148-L188 HydrophobicContact CG2-CD2 4.3Å
149	P	91.6	Very high	92.2	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.084	23%	0.227	C	C	.	.			trans	-61.7	109.2	-178.1	-22.9	31.5	0	0	0	113.1	I124 E151 A152 F153	I124-P149 HydrophobicContact CB-CB 4.17Å; I124-P149 HydrophobicContact CB-CG 3.84Å; I124-P149 HydrophobicContact CD1-CG 3.97Å; I124-P149 HydrophobicContact CG1-CG 4.13Å; P149-E151 PolarHBondContact O-N 3.44Å; P149-E151 VanDerWaalsContact O-N 3.08Å; P149-A152 HydrophobicContact CB-CB 3.56Å; P149-A152 HydrophobicContact CG-CB 4.46Å; P149-F153 HydrophobicContact CB-CE2 4.36Å; P149-F153 HydrophobicContact CB-CZ 4.42Å; P149-F153 HydrophobicContact CG-CE2 4.27Å; P149-F153 HydrophobicContact CG-CZ 4.01Å
150	A	78.4	Confident	92.1	Very high	49 Å²	49	46 Å²	46	41%	0.405	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.6	-170.7	0	0	0	0	0	115.8	V148 P173	V148-A150 PolarHBondContact O-N 3.04Å; A150-P173 HydrophobicContact CB-CB 4Å; A150-P173 HydrophobicContact CB-CG 4.16Å
151	E	84.3	Confident	92.2	Very high	92 Å²	92	46.6 Å²	46.6	43%	0.43	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-1.4	-176.4	-58.7	-174.9	-180	0	0	114.3	R126 P149 F153 T154	R126-E151 HydrophobicContact CB-CB 4.37Å; R126-E151 WeakPolarHBondContact CD-OE2 3.13Å; R126-E151 HydrophobicContact CG-CB 4Å; R126-E151 IonicContact CZ-OE2 2.76Å; R126-E151 IonicContact NE-OE2 3.7Å; R126-E151 PolarHBondContact NE-OE2 2.95Å; R126-E151 IonicContact NH1-OE1 2.86Å; R126-E151 IonicContact NH1-OE2 3.89Å; R126-E151 PolarHBondContact NH1-OE2 3.43Å; P149-E151 PolarHBondContact O-N 3.44Å; P149-E151 VanDerWaalsContact O-N 3.08Å; E151-F153 VanDerWaalsContact C-N 3.35Å; E151-F153 PolarHBondContact O-N 3.48Å; E151-T154 WeakPolarHBondContact O-CG2 3.32Å; E151-T154 PolarHBondContact O-OG1 3.44Å
152	A	87.3	Confident	92.2	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.017	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-30.5	-174.7	0	0	0	0	0	112.5	I124 F129 P149 T154	I124-A152 HydrophobicContact CB-CB 4.36Å; I124-A152 HydrophobicContact CG2-CB 3.67Å; F129-A152 HydrophobicContact CD2-CB 4.11Å; F129-A152 WeakPolarHBondContact CD2-O 3.25Å; F129-A152 HydrophobicContact CE2-CB 4.14Å; P149-A152 HydrophobicContact CB-CB 3.56Å; P149-A152 HydrophobicContact CG-CB 4.46Å; A152-T154 VanDerWaalsContact C-N 3.3Å; A152-T154 PolarHBondContact O-N 2.95Å
153	F	90.2	Very high	92.2	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	5.7	-176.3	-50.8	-49.5	0	0	0	114.1	F129 L138 L140 V148 P149 E151 N155 L156 L162 L164 L180	F129-F153 HydrophobicContact CD2-CD1 4.02Å; F129-F153 HydrophobicContact CD2-CE1 4.19Å; F129-F153 HydrophobicContact CE2-CD1 4.03Å; F129-F153 AromaticContact CE2-CE1 3.72Å; F129-F153 HydrophobicContact CE2-CE1 3.72Å; L138-F153 HydrophobicContact CD2-CD1 4.1Å; L138-F153 HydrophobicContact CD2-CE1 3.75Å; L140-F153 HydrophobicContact CD1-CE1 4.1Å; L140-F153 HydrophobicContact CD1-CZ 4.22Å; V148-F153 HydrophobicContact CG1-CD2 4.5Å; V148-F153 HydrophobicContact CG1-CE2 3.77Å; P149-F153 HydrophobicContact CB-CE2 4.36Å; P149-F153 HydrophobicContact CB-CZ 4.42Å; P149-F153 HydrophobicContact CG-CE2 4.27Å; P149-F153 HydrophobicContact CG-CZ 4.01Å; E151-F153 VanDerWaalsContact C-N 3.35Å; E151-F153 PolarHBondContact O-N 3.48Å; F153-N155 PolarHBondContact O-N 3.38Å; F153-L156 HydrophobicContact CB-CD1 4.26Å; F153-L156 HydrophobicContact CD1-CD1 4.13Å; F153-L156 PolarHBondContact O-N 2.71Å; F153-L162 HydrophobicContact CD2-CD2 4.46Å; F153-L162 HydrophobicContact CE1-CD1 4.19Å; F153-L162 HydrophobicContact CE2-CD2 4.19Å; F153-L162 HydrophobicContact CZ-CD1 4.25Å; F153-L162 HydrophobicContact CZ-CD2 4.3Å; F153-L164 HydrophobicContact CZ-CD2 4.42Å; F153-L180 HydrophobicContact CB-CD1 4.33Å; F153-L180 HydrophobicContact CB-CD2 4.18Å; F153-L180 HydrophobicContact CB-CG 4.49Å
154	T	82.2	Confident	92.2	Very high	55 Å²	55	44.5 Å²	44.5	34%	0.337	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	131.5	179.8	49.6	0	0	0	0	110.7	E151 A152 L156	E151-T154 WeakPolarHBondContact O-CG2 3.32Å; E151-T154 PolarHBondContact O-OG1 3.44Å; A152-T154 VanDerWaalsContact C-N 3.3Å; A152-T154 PolarHBondContact O-N 2.95Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 3.21Å
155	N	76.6	Confident	92.3	Very high	100 Å²	100	41.4 Å²	41.4	54%	0.535	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	13.7	179	-50.7	-42.7	0	0	0	117.2	F153 H157	F153-N155 PolarHBondContact O-N 3.38Å; N155-H157 PolarHBondContact O-N 2.93Å
156	L	92.1	Very high	92.4	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.219	C	C	.	.			trans	-79.2	63.2	170	-61	-179.9	0	0	0	111.4	F129 L132 L135 F153 T154 N158 L159 L180	F129-L156 HydrophobicContact CB-CD1 4.15Å; F129-L156 HydrophobicContact CB-CD2 4.17Å; F129-L156 HydrophobicContact CD2-CD1 4.45Å; L132-L156 HydrophobicContact CB-CD2 4.24Å; L135-L156 HydrophobicContact CD2-CD1 4.43Å; L135-L156 HydrophobicContact CD2-CD2 4.42Å; F153-L156 HydrophobicContact CB-CD1 4.26Å; F153-L156 HydrophobicContact CD1-CD1 4.13Å; F153-L156 PolarHBondContact O-N 2.71Å; T154-L156 VanDerWaalsContact C-N 3.33Å; T154-L156 PolarHBondContact O-N 3.21Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.43Å; L156-L159 HydrophobicContact CB-CB 4.07Å; L156-L159 HydrophobicContact CD1-CD2 4.25Å; L156-L159 WeakPolarHBondContact O-CB 3.23Å; L156-L159 PolarHBondContact O-N 3.4Å; L156-L180 HydrophobicContact CB-CD2 3.77Å; L156-L180 WeakPolarHBondContact O-CD2 3.44Å
157	H	90.8	Very high	92.5	Very high	79 Å²	79	33.7 Å²	33.7	37%	0.366	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26	-170.3	-60.3	-47.7	0	0	0	114.8	N155 G179 S182	N155-H157 PolarHBondContact O-N 2.93Å; H157-G179 PolarHBondContact ND1-O 3.22Å; H157-S182 WeakPolarHBondContact O-CB 3.46Å; H157-S182 PolarHBondContact O-OG 3.18Å
158	N	95.3	Very high	92.6	Very high	69 Å²	69	36 Å²	36	37%	0.369	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-1.5	-179.1	-72.1	-35.8	0	0	0	113.5	Y133 L135 L156 Q160	Y133-N158 PolarHBondContact O-ND2 2.84Å; L135-N158 CarbonylContact O-C 3.53Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.43Å; N158-Q160 WeakPolarHBondContact O-CG 3.25Å; N158-Q160 PolarHBondContact O-N 3.41Å
159	L	97	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.			trans	-66.6	123.8	-177.8	-166.7	73.3	0	0	0	109.9	L135 L138 L156 L162 L180 S182 L183	L135-L159 HydrophobicContact CD2-CD1 4.05Å; L135-L159 HydrophobicContact CG-CD1 4.03Å; L135-L159 WeakPolarHBondContact O-CA 3.45Å; L135-L159 PolarHBondContact O-N 3.45Å; L138-L159 HydrophobicContact CB-CD1 3.79Å; L156-L159 HydrophobicContact CB-CB 4.07Å; L156-L159 HydrophobicContact CD1-CD2 4.25Å; L156-L159 WeakPolarHBondContact O-CB 3.23Å; L156-L159 PolarHBondContact O-N 3.4Å; L159-L162 HydrophobicContact CD2-CB 4.15Å; L159-L162 HydrophobicContact CD2-CD1 4.44Å; L159-L180 HydrophobicContact CB-CD2 4.18Å; L159-L180 HydrophobicContact CD2-CD2 3.9Å; L159-S182 CarbonylContact O-C 3.52Å; L159-L183 HydrophobicContact CD2-CD1 4.09Å; L159-L183 HydrophobicContact CG-CD1 4.08Å; L159-L183 VanDerWaalsContact O-CA 3.24Å; L159-L183 WeakPolarHBondContact O-CA 3.36Å; L159-L183 PolarHBondContact O-N 3.29Å
160	Q	97.8	Very high	92.9	Very high	65 Å²	65	38.8 Å²	38.8	30%	0.304	21%	0.21	S	C	.	.			trans	-107.3	-28.8	-178.3	-58.1	-177.2	13.2	0	0	111.9	K136 N158 S182 R184 H185	K136-Q160 PolarHBondContact O-N 3.41Å; N158-Q160 WeakPolarHBondContact O-CG 3.25Å; N158-Q160 PolarHBondContact O-N 3.41Å; Q160-S182 WeakPolarHBondContact CA-O 3.43Å; Q160-R184 PolarHBondContact O-N 3.47Å; Q160-H185 PolarHBondContact O-N 3.09Å
161	S	98.4	Very high	93.6	Very high	13 Å²	13	37.8 Å²	37.8	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	114.9	-167.9	176.4	0	0	0	0	109.7	K136 V137 L138 W187	K136-S161 PolarHBondContact O-N 2.97Å; V137-S161 WeakPolarHBondContact CA-O 3.47Å; L138-S161 PolarHBondContact N-O 2.91Å; S161-W187 WeakPolarHBondContact OG-CH2 3.38Å; S161-W187 WeakPolarHBondContact OG-CZ3 3.47Å
162	L	98.1	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	110.1	179.6	176.3	59.1	0	0	0	110.9	L138 F153 L159 L164 F177 L180 L183 H185 L186 W187	L138-L162 HydrophobicContact CB-CD1 4.09Å; L138-L162 HydrophobicContact CD2-CD1 3.91Å; L138-L162 HydrophobicContact CG-CD1 4.04Å; F153-L162 HydrophobicContact CD2-CD2 4.46Å; F153-L162 HydrophobicContact CE1-CD1 4.19Å; F153-L162 HydrophobicContact CE2-CD2 4.19Å; F153-L162 HydrophobicContact CZ-CD1 4.25Å; F153-L162 HydrophobicContact CZ-CD2 4.3Å; L159-L162 HydrophobicContact CD2-CB 4.15Å; L159-L162 HydrophobicContact CD2-CD1 4.44Å; L162-L164 HydrophobicContact CD1-CD1 4.42Å; L162-L164 HydrophobicContact CD1-CG 4.21Å; L162-L164 HydrophobicContact CD2-CD1 3.92Å; L162-L164 HydrophobicContact CG-CD1 4.01Å; L162-L164 HydrophobicContact CG-CG 4.13Å; L162-F177 HydrophobicContact CD2-CD1 4.44Å; L162-F177 HydrophobicContact CD2-CE1 4.01Å; L162-L180 HydrophobicContact CD2-CD1 4.35Å; L162-L183 HydrophobicContact CB-CD1 3.83Å; L162-H185 PolarHBondContact N-O 3.29Å; L162-L186 HydrophobicContact CB-CD1 4.28Å; L162-L186 HydrophobicContact CD2-CD1 4.13Å; L162-L186 HydrophobicContact CG-CD1 4.23Å; L162-W187 PolarHBondContact O-N 2.83Å; L162-W187 VanDerWaalsContact O-N 3.11Å
163	R	98.5	Very high	94.6	Very high	72 Å²	72	36 Å²	36	27%	0.272	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.4	176.9	-71.9	-169.7	70.5	169.9	5.2	111.7	L138 M139 L140 D165 W187	L138-R163 PolarHBondContact O-N 3.35Å; M139-R163 HydrophobicContact CG-CB 4.48Å; L140-R163 WeakPolarHBondContact CA-O 3.47Å; L140-R163 WeakPolarHBondContact CB-O 3.2Å; L140-R163 PolarHBondContact N-O 2.92Å; R163-D165 VanDerWaalsContact CB-OD1 3.31Å; R163-D165 WeakPolarHBondContact CB-OD1 3.18Å; R163-D165 IonicContact CZ-OD1 2.7Å; R163-D165 IonicContact CZ-OD2 3.53Å; R163-D165 IonicContact NE-OD1 3.71Å; R163-D165 PolarHBondContact NE-OD1 3.03Å; R163-D165 IonicContact NE-OD2 3.36Å; R163-D165 IonicContact NH2-OD1 3.58Å; R163-D165 IonicContact NH2-OD2 2.88Å; R163-D165 PolarHBondContact NH2-OD2 2.67Å; R163-W187 HydrophobicContact CB-CE3 4.28Å; R163-W187 HydrophobicContact CG-CB 4.28Å; R163-W187 HydrophobicContact CG-CD2 3.68Å; R163-W187 HydrophobicContact CG-CE3 3.3Å; R163-W187 HydrophobicContact CG-CG 4.13Å; R163-W187 HydrophobicContact CG-CH2 4.45Å; R163-W187 HydrophobicContact CG-CZ3 3.75Å
164	L	97.9	Very high	94.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.			trans	-128.6	17.3	177	-70	166.2	0	0	0	111	L140 L145 V148 F153 L162 N167 I169 W187 L188 N191	L140-L164 HydrophobicContact CB-CD2 3.93Å; L140-L164 HydrophobicContact CD1-CD2 3.85Å; L145-L164 HydrophobicContact CD1-CD2 4.03Å; V148-L164 HydrophobicContact CG1-CD1 4.23Å; V148-L164 HydrophobicContact CG2-CD1 4.28Å; F153-L164 HydrophobicContact CZ-CD2 4.42Å; L162-L164 HydrophobicContact CD1-CD1 4.42Å; L162-L164 HydrophobicContact CD1-CG 4.21Å; L162-L164 HydrophobicContact CD2-CD1 3.92Å; L162-L164 HydrophobicContact CG-CD1 4.01Å; L162-L164 HydrophobicContact CG-CG 4.13Å; L164-N167 PolarHBondContact O-ND2 3.09Å; L164-I169 HydrophobicContact CB-CD1 3.98Å; L164-I169 HydrophobicContact CD2-CD1 4.5Å; L164-W187 CarbonylContact C-O 3.51Å; L164-W187 WeakPolarHBondContact CA-O 3.44Å; L164-W187 WeakPolarHBondContact CB-O 3.35Å; L164-W187 PolarHBondContact N-O 3.19Å; L164-L188 HydrophobicContact CB-CD2 3.81Å; L164-L188 HydrophobicContact CD1-CD2 4.03Å; L164-N191 PolarHBondContact O-ND2 2.99Å
165	D	98.1	Very high	95.1	Very high	10 Å²	10	38.9 Å²	38.9	5%	0.053	23%	0.225	C	C	.	.			trans	-69	161.9	-178.7	51.7	-71.7	0	0	0	113.3	Q141 N142 R163 N167 W187 D189	Q141-D165 CarbonylContact C-O 3.25Å; Q141-D165 WeakPolarHBondContact CA-O 3Å; Q141-D165 HydrophobicContact CB-CB 4.44Å; Q141-D165 VanDerWaalsContact CB-CG 3.44Å; Q141-D165 VanDerWaalsContact CB-O 3.23Å; Q141-D165 WeakPolarHBondContact CB-O 3.45Å; Q141-D165 WeakPolarHBondContact CB-OD1 3.17Å; Q141-D165 VanDerWaalsContact CB-OD2 3.25Å; Q141-D165 WeakPolarHBondContact CB-OD2 3.45Å; N142-D165 PolarHBondContact N-O 3.49Å; N142-D165 VanDerWaalsContact N-O 3.11Å; R163-D165 VanDerWaalsContact CB-OD1 3.31Å; R163-D165 WeakPolarHBondContact CB-OD1 3.18Å; R163-D165 IonicContact CZ-OD1 2.7Å; R163-D165 IonicContact CZ-OD2 3.53Å; R163-D165 IonicContact NE-OD1 3.71Å; R163-D165 PolarHBondContact NE-OD1 3.03Å; R163-D165 IonicContact NE-OD2 3.36Å; R163-D165 IonicContact NH2-OD1 3.58Å; R163-D165 IonicContact NH2-OD2 2.88Å; R163-D165 PolarHBondContact NH2-OD2 2.67Å; D165-N167 PolarHBondContact O-N 3.37Å; D165-N167 PolarHBondContact O-ND2 3.05Å; D165-W187 HydrophobicContact CB-CB 4.19Å; D165-W187 PolarHBondContact N-O 2.94Å; D165-D189 CarbonylContact C-O 3.05Å; D165-D189 WeakPolarHBondContact CA-O 3.31Å; D165-D189 WeakPolarHBondContact CB-O 3.47Å; D165-D189 VanDerWaalsContact CB-OD1 3.27Å; D165-D189 WeakPolarHBondContact CB-OD1 3.42Å
166	A	97.8	Very high	95.8	Very high	26 Å²	26	34.2 Å²	34.2	22%	0.215	20%	0.2	C	C	.	.	S	Bend	trans	51.1	53.9	-179.1	0	0	0	0	0	112.4	N142 N143 D189 D190	N142-A166 WeakPolarHBondContact CA-O 3.39Å; N142-A166 HydrophobicContact CB-CB 4.37Å; N142-A166 PolarHBondContact N-O 3.11Å; N142-A166 VanDerWaalsContact N-O 3.08Å; N143-A166 PolarHBondContact N-O 2.87Å; A166-D189 PolarHBondContact N-O 3.48Å; A166-D190 CarbonylContact C-O 3.04Å; A166-D190 WeakPolarHBondContact CA-O 3.38Å; A166-D190 HydrophobicContact CB-CB 4.4Å; A166-D190 PolarHBondContact N-O 3.3Å
167	N	98.1	Very high	95.9	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.027	20%	0.199	C	C	.	.	S	Bend	trans	-126.7	-166.9	176.6	-87.7	-91.1	0	0	0	109.1	L140 N143 L145 L164 D165 I169 D190 N191	L140-N167 PolarHBondContact O-ND2 2.02Å; N143-N167 WeakPolarHBondContact CA-OD1 3.5Å; N143-N167 WeakPolarHBondContact CB-OD1 3.36Å; N143-N167 PolarHBondContact N-OD1 2.76Å; N143-N167 PolarHBondContact O-OD1 3.37Å; N143-N167 VanDerWaalsContact O-OD1 3.09Å; L145-N167 HydrophobicContact CB-CB 4.35Å; L145-N167 VanDerWaalsContact CB-OD1 3.29Å; L145-N167 WeakPolarHBondContact CB-OD1 3.47Å; L145-N167 WeakPolarHBondContact CG-OD1 3.32Å; L145-N167 PolarHBondContact N-OD1 2.75Å; L145-N167 VanDerWaalsContact N-OD1 3.11Å; L164-N167 PolarHBondContact O-ND2 3.09Å; D165-N167 PolarHBondContact O-N 3.37Å; D165-N167 PolarHBondContact O-ND2 3.05Å; N167-I169 HydrophobicContact CB-CD1 4.08Å; N167-I169 HydrophobicContact CB-CG1 3.94Å; N167-D190 PolarHBondContact N-O 2.94Å; N167-D190 VanDerWaalsContact N-O 3.07Å; N167-N191 WeakPolarHBondContact CA-OD1 3.4Å; N167-N191 WeakPolarHBondContact CB-OD1 3.3Å; N167-N191 PolarHBondContact N-OD1 3.47Å; N167-N191 PolarHBondContact O-OD1 3.4Å
168	H	97.7	Very high	95.8	Very high	100 Å²	100	37.1 Å²	37.1	46%	0.463	21%	0.212	S	C	.	.			trans	-114.2	30.8	176.5	-60.5	-37.7	0	0	0	111.6	Q144 L145 R146 S170	Q144-H168 PolarHBondContact OE1-CD2 3.03Å; Q144-H168 PolarHBondContact OE1-NE2 3.38Å; Q144-H168 VanDerWaalsContact OE1-NE2 3.12Å; L145-H168 CarbonylContact O-C 3.25Å; L145-H168 VanDerWaalsContact O-CA 3.28Å; L145-H168 WeakPolarHBondContact O-CA 3.37Å; L145-H168 PolarHBondContact O-N 3.13Å; R146-H168 WeakPolarHBondContact CA-O 3.37Å; H168-S170 PolarHBondContact O-N 2.89Å
169	I	98	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.201	C	C	.	.			trans	-69.9	114.1	-172.8	-61.4	169.3	0	0	0	109	L145 R146 V148 L164 N167 V172 L188 N191 A192 L193	L145-I169 HydrophobicContact CB-CG1 4.18Å; L145-I169 WeakPolarHBondContact O-CG1 3.44Å; L145-I169 PolarHBondContact O-N 3.05Å; L145-I169 VanDerWaalsContact O-N 3.1Å; R146-I169 WeakPolarHBondContact O-CA 3.36Å; V148-I169 HydrophobicContact CG2-CD1 4.23Å; V148-I169 HydrophobicContact CG2-CG2 3.92Å; L164-I169 HydrophobicContact CB-CD1 3.98Å; L164-I169 HydrophobicContact CD2-CD1 4.5Å; N167-I169 HydrophobicContact CB-CD1 4.08Å; N167-I169 HydrophobicContact CB-CG1 3.94Å; I169-V172 HydrophobicContact CG2-CG2 4.45Å; I169-L188 HydrophobicContact CD1-CD2 4.27Å; I169-N191 HydrophobicContact CB-CB 4.33Å; I169-N191 WeakPolarHBondContact CB-OD1 3.21Å; I169-N191 WeakPolarHBondContact CG1-OD1 3.33Å; I169-N191 PolarHBondContact N-OD1 3.38Å; I169-A192 CarbonylContact O-C 3.55Å; I169-A192 VanDerWaalsContact O-C 3.25Å; I169-A192 WeakPolarHBondContact O-CA 3.49Å; I169-A192 PolarHBondContact O-N 3.05Å; I169-L193 HydrophobicContact CG2-CD2 4.02Å; I169-L193 PolarHBondContact O-N 3.29Å
170	S	96.2	Very high	95.1	Very high	72 Å²	72	34.7 Å²	34.7	50%	0.503	20%	0.202	S	C	.	.			trans	-104.5	-17.8	174.7	59.6	0	0	0	0	113.3	R146 H168	R146-S170 PolarHBondContact O-N 3.16Å; R146-S170 PolarHBondContact O-OG 3.46Å; H168-S170 PolarHBondContact O-N 2.89Å
171	G	94.3	Very high	94.7	Very high	28 Å²	28	40.8 Å²	40.8	29%	0.289	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-140.2	138.5	-178.7	0	0	0	0	0	113.5	S147 V148	S147-G171 VanDerWaalsContact CA-O 3.32Å; S147-G171 WeakPolarHBondContact CA-O 3.39Å; S147-G171 WeakPolarHBondContact CB-O 3.45Å; S147-G171 PolarHBondContact OG-O 3.32Å; V148-G171 PolarHBondContact N-O 3.25Å
172	V	96.4	Very high	94.6	Very high	22 Å²	22	42 Å²	42	13%	0.133	23%	0.231	C	C	.	.			trans	-114	102.7	175.2	-174.6	0	0	0	0	108.8	V148 I169 F177 L193 P197 A200	V148-V172 HydrophobicContact CB-CG1 4.22Å; V148-V172 HydrophobicContact CG2-CB 4.23Å; V148-V172 HydrophobicContact CG2-CG1 3.98Å; V148-V172 HydrophobicContact CG2-CG2 3.82Å; I169-V172 HydrophobicContact CG2-CG2 4.45Å; V172-F177 HydrophobicContact CG1-CE2 3.8Å; V172-F177 HydrophobicContact CG1-CZ 4.12Å; V172-L193 HydrophobicContact CG2-CD2 3.79Å; V172-P197 HydrophobicContact CB-CB 3.6Å; V172-P197 HydrophobicContact CB-CG 4.1Å; V172-P197 HydrophobicContact CG1-CB 4.08Å; V172-P197 HydrophobicContact CG1-CG 4.41Å; V172-P197 HydrophobicContact CG2-CB 3.94Å; V172-P197 HydrophobicContact CG2-CG 3.93Å; V172-A200 HydrophobicContact CG1-CB 3.64Å
173	P	94.6	Very high	94.6	Very high	34 Å²	34	42 Å²	42	22%	0.221	23%	0.231	C	C	.	.			trans	-62.6	141.8	-177.4	-23.6	35.3	0	0	0	112	S147 V148 A150 C176	S147-P173 WeakPolarHBondContact OG-CD 3.12Å; V148-P173 WeakPolarHBondContact O-CD 3.49Å; A150-P173 HydrophobicContact CB-CB 4Å; A150-P173 HydrophobicContact CB-CG 4.16Å; P173-C176 WeakPolarHBondContact O-CB 2.9Å; P173-C176 PolarHBondContact O-N 2.74Å; P173-C176 PolarHBondContact O-SG 3.19Å
174	P	92.8	Very high	94.5	Very high	92 Å²	92	43.9 Å²	43.9	60%	0.597	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	142.1	172.2	28.5	-34.1	0	0	0	110	C176 K199	P174-C176 VanDerWaalsContact C-N 3.31Å; P174-C176 PolarHBondContact O-N 3.04Å; P174-K199 HydrophobicContact CB-CB 4.17Å
175	G	89.8	Confident	94.6	Very high	25 Å²	25	46.9 Å²	46.9	26%	0.258	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-7.6	-176.9	0	0	0	0	0	115.7	F177 F178 E203	G175-F177 PolarHBondContact O-N 3.18Å; G175-F178 WeakPolarHBondContact O-CB 3.27Å; G175-F178 PolarHBondContact O-N 3.5Å; G175-F178 VanDerWaalsContact O-N 3.12Å; G175-E203 WeakPolarHBondContact CA-OE1 3.46Å; G175-E203 WeakPolarHBondContact CA-OE2 3.49Å; G175-E203 PolarHBondContact N-OE1 3.13Å
176	C	92.6	Very high	94.6	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.02	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.5	-176.6	67.5	0	0	0	0	114	V148 P173 P174	V148-C176 HydrophobicContact CG1-CB 4.05Å; P173-C176 WeakPolarHBondContact O-CB 2.9Å; P173-C176 PolarHBondContact O-N 2.74Å; P173-C176 PolarHBondContact O-SG 3.19Å; P174-C176 VanDerWaalsContact C-N 3.31Å; P174-C176 PolarHBondContact O-N 3.04Å
177	F	93.4	Very high	94.6	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	8.1	178.2	-60.3	-47.8	0	0	0	113	V148 L162 V172 G175 G179 L180 L186 A200 L204	V148-F177 HydrophobicContact CG1-CE1 3.86Å; V148-F177 HydrophobicContact CG1-CZ 4.06Å; L162-F177 HydrophobicContact CD2-CD1 4.44Å; L162-F177 HydrophobicContact CD2-CE1 4.01Å; V172-F177 HydrophobicContact CG1-CE2 3.8Å; V172-F177 HydrophobicContact CG1-CZ 4.12Å; G175-F177 PolarHBondContact O-N 3.18Å; F177-G179 PolarHBondContact O-N 3.03Å; F177-L180 HydrophobicContact CB-CD1 4.09Å; F177-L180 HydrophobicContact CD1-CD1 3.75Å; F177-L180 HydrophobicContact CG-CD1 4.36Å; F177-L180 WeakPolarHBondContact O-CB 3.48Å; F177-L180 WeakPolarHBondContact O-CG 3.44Å; F177-L180 PolarHBondContact O-N 3.45Å; F177-L186 HydrophobicContact CE1-CD1 4.41Å; F177-L186 HydrophobicContact CE2-CD2 4.32Å; F177-L186 HydrophobicContact CZ-CD1 4.32Å; F177-L186 HydrophobicContact CZ-CD2 4.18Å; F177-A200 HydrophobicContact CD2-CB 3.98Å; F177-A200 HydrophobicContact CE2-CB 4.14Å; F177-L204 HydrophobicContact CB-CD1 4.3Å; F177-L204 HydrophobicContact CB-CD2 3.89Å; F177-L204 HydrophobicContact CB-CG 4.09Å; F177-L204 HydrophobicContact CD2-CD1 3.76Å; F177-L204 HydrophobicContact CD2-CG 4.34Å; F177-L204 HydrophobicContact CE2-CD1 4.26Å; F177-L204 HydrophobicContact CG-CD1 4.05Å; F177-L204 HydrophobicContact CG-CD2 4.42Å; F177-L204 HydrophobicContact CG-CG 4.39Å
178	F	89.3	Confident	94.6	Very high	143 Å²	143	48.5 Å²	48.5	63%	0.627	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	123.3	-178.3	-175.1	-93.6	0	0	0	111.3	G175 E203	G175-F178 WeakPolarHBondContact O-CB 3.27Å; G175-F178 PolarHBondContact O-N 3.5Å; G175-F178 VanDerWaalsContact O-N 3.12Å; F178-E203 PolarHBondContact N-OE2 3.38Å; F178-E203 VanDerWaalsContact N-OE2 3.11Å
179	G	84.4	Confident	94.6	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.2	-6.4	178.2	0	0	0	0	0	115.5	H157 F177 R181	H157-G179 PolarHBondContact ND1-O 3.22Å; F177-G179 PolarHBondContact O-N 3.03Å; G179-R181 PolarHBondContact O-N 3.43Å
180	L	92.8	Very high	94.6	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	26%	0.259	C	S	.	.			trans	-76.5	60.2	175.5	-61.8	-175.3	0	0	0	112.6	F153 L156 L159 L162 F177 S182 L183 L204	F153-L180 HydrophobicContact CB-CD1 4.33Å; F153-L180 HydrophobicContact CB-CD2 4.18Å; F153-L180 HydrophobicContact CB-CG 4.49Å; L156-L180 HydrophobicContact CB-CD2 3.77Å; L156-L180 WeakPolarHBondContact O-CD2 3.44Å; L159-L180 HydrophobicContact CB-CD2 4.18Å; L159-L180 HydrophobicContact CD2-CD2 3.9Å; L162-L180 HydrophobicContact CD2-CD1 4.35Å; F177-L180 HydrophobicContact CB-CD1 4.09Å; F177-L180 HydrophobicContact CD1-CD1 3.75Å; F177-L180 HydrophobicContact CG-CD1 4.36Å; F177-L180 WeakPolarHBondContact O-CB 3.48Å; F177-L180 WeakPolarHBondContact O-CG 3.44Å; F177-L180 PolarHBondContact O-N 3.45Å; L180-S182 PolarHBondContact O-N 3.44Å; L180-L183 HydrophobicContact CB-CB 4.17Å; L180-L183 HydrophobicContact CD1-CD2 4.12Å; L180-L183 PolarHBondContact O-N 3.38Å; L180-L204 HydrophobicContact CB-CD2 4.17Å
181	R	90.6	Very high	94.8	Very high	192 Å²	192	46.4 Å²	46.4	73%	0.725	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.3	-171.3	-63.1	-177.9	-177	-171.9	1.8	115	G179 T206	G179-R181 PolarHBondContact O-N 3.43Å; R181-T206 VanDerWaalsContact O-CG2 3.3Å; R181-T206 WeakPolarHBondContact O-CG2 3.4Å; R181-T206 PolarHBondContact O-OG1 2.95Å
182	S	95.7	Very high	94.9	Very high	39 Å²	39	46.5 Å²	46.5	27%	0.273	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	3.9	-178.4	-58.9	0	0	0	0	113.1	H157 L159 Q160 L180 R184	H157-S182 WeakPolarHBondContact O-CB 3.46Å; H157-S182 PolarHBondContact O-OG 3.18Å; L159-S182 CarbonylContact O-C 3.52Å; Q160-S182 WeakPolarHBondContact CA-O 3.43Å; L180-S182 PolarHBondContact O-N 3.44Å; S182-R184 PolarHBondContact O-N 3.05Å
183	L	96.9	Very high	95	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.			trans	-68.1	127.8	-172.7	-160.1	75	0	0	0	110.1	L159 L162 L180 L186 L204 T206 L207	L159-L183 HydrophobicContact CD2-CD1 4.09Å; L159-L183 HydrophobicContact CG-CD1 4.08Å; L159-L183 VanDerWaalsContact O-CA 3.24Å; L159-L183 WeakPolarHBondContact O-CA 3.36Å; L159-L183 PolarHBondContact O-N 3.29Å; L162-L183 HydrophobicContact CB-CD1 3.83Å; L180-L183 HydrophobicContact CB-CB 4.17Å; L180-L183 HydrophobicContact CD1-CD2 4.12Å; L180-L183 PolarHBondContact O-N 3.38Å; L183-L186 HydrophobicContact CD2-CB 4.44Å; L183-L204 HydrophobicContact CB-CD2 4.19Å; L183-L204 HydrophobicContact CD2-CD1 4.09Å; L183-L204 HydrophobicContact CD2-CD2 3.73Å; L183-T206 CarbonylContact O-C 3.02Å; L183-T206 VanDerWaalsContact O-C 3.25Å; L183-T206 PolarHBondContact O-OG1 2.96Å; L183-L207 HydrophobicContact CD2-CD1 4.11Å; L183-L207 HydrophobicContact CG-CD1 4.17Å; L183-L207 PolarHBondContact O-N 3.43Å
184	R	98.1	Very high	95.1	Very high	111 Å²	111	48.2 Å²	48.2	42%	0.419	25%	0.246	S	C	.	.			trans	-118.2	-35.7	-178.9	-63.8	179.1	-171.8	-171.3	3.1	111.7	Q160 S182 Q208 A209	Q160-R184 PolarHBondContact O-N 3.47Å; S182-R184 PolarHBondContact O-N 3.05Å; R184-Q208 HydrophobicContact CB-CB 4.42Å; R184-Q208 HydrophobicContact CB-CG 4.37Å; R184-Q208 HydrophobicContact CG-CG 4.47Å; R184-Q208 WeakPolarHBondContact O-CA 3.38Å; R184-Q208 PolarHBondContact O-N 2.9Å; R184-A209 PolarHBondContact O-N 3.46Å
185	H	98.6	Very high	95.3	Very high	63 Å²	63	50.4 Å²	50.4	29%	0.292	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127	-176.2	-45.2	128.9	0	0	0	110.5	Q160 L162 W187 A209	Q160-H185 PolarHBondContact O-N 3.09Å; L162-H185 PolarHBondContact N-O 3.29Å; H185-W187 HydrophobicContact CB-CE3 4.16Å; H185-W187 HydrophobicContact CB-CH2 3.18Å; H185-W187 HydrophobicContact CB-CZ2 3.8Å; H185-W187 HydrophobicContact CB-CZ3 3.37Å; H185-W187 AromaticContact CG-CH2 3.93Å; H185-A209 WeakPolarHBondContact CA-O 3.46Å
186	L	98.4	Very high	95.6	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.9	178.3	177.9	62.7	0	0	0	109.7	L162 F177 L183 L188 L201 L204 L207 A209 M210 T211	L162-L186 HydrophobicContact CB-CD1 4.28Å; L162-L186 HydrophobicContact CD2-CD1 4.13Å; L162-L186 HydrophobicContact CG-CD1 4.23Å; F177-L186 HydrophobicContact CE1-CD1 4.41Å; F177-L186 HydrophobicContact CE2-CD2 4.32Å; F177-L186 HydrophobicContact CZ-CD1 4.32Å; F177-L186 HydrophobicContact CZ-CD2 4.18Å; L183-L186 HydrophobicContact CD2-CB 4.44Å; L186-L188 HydrophobicContact CD1-CD1 4.36Å; L186-L188 HydrophobicContact CD1-CG 4.25Å; L186-L188 HydrophobicContact CD2-CD1 3.9Å; L186-L188 HydrophobicContact CG-CD1 4.08Å; L186-L188 HydrophobicContact CG-CG 4.22Å; L186-L201 HydrophobicContact CD2-CD2 4.18Å; L186-L204 HydrophobicContact CD2-CD1 3.9Å; L186-L207 HydrophobicContact CB-CD1 3.82Å; L186-L207 HydrophobicContact CB-CD2 4.28Å; L186-L207 HydrophobicContact CD2-CD2 4.46Å; L186-A209 PolarHBondContact N-O 3.25Å; L186-A209 VanDerWaalsContact N-O 3.1Å; L186-M210 HydrophobicContact CB-CG 4.48Å; L186-M210 HydrophobicContact CD2-SD 4.24Å; L186-M210 WeakPolarHBondContact O-CA 3.33Å; L186-T211 PolarHBondContact O-N 3.02Å
187	W	98.6	Very high	95.8	Very high	74 Å²	74	50 Å²	50	28%	0.28	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119	176.2	-59.8	-101.2	0	0	0	109.7	S161 L162 R163 L164 D165 H185 T211	S161-W187 WeakPolarHBondContact OG-CH2 3.38Å; S161-W187 WeakPolarHBondContact OG-CZ3 3.47Å; L162-W187 PolarHBondContact O-N 2.83Å; L162-W187 VanDerWaalsContact O-N 3.11Å; R163-W187 HydrophobicContact CB-CE3 4.28Å; R163-W187 HydrophobicContact CG-CB 4.28Å; R163-W187 HydrophobicContact CG-CD2 3.68Å; R163-W187 HydrophobicContact CG-CE3 3.3Å; R163-W187 HydrophobicContact CG-CG 4.13Å; R163-W187 HydrophobicContact CG-CH2 4.45Å; R163-W187 HydrophobicContact CG-CZ3 3.75Å; L164-W187 CarbonylContact C-O 3.51Å; L164-W187 WeakPolarHBondContact CA-O 3.44Å; L164-W187 WeakPolarHBondContact CB-O 3.35Å; L164-W187 PolarHBondContact N-O 3.19Å; D165-W187 HydrophobicContact CB-CB 4.19Å; D165-W187 PolarHBondContact N-O 2.94Å; H185-W187 HydrophobicContact CB-CE3 4.16Å; H185-W187 HydrophobicContact CB-CH2 3.18Å; H185-W187 HydrophobicContact CB-CZ2 3.8Å; H185-W187 HydrophobicContact CB-CZ3 3.37Å; H185-W187 AromaticContact CG-CH2 3.93Å; W187-T211 HydrophobicContact CB-CG2 3.96Å; W187-T211 VanDerWaalsContact CD1-CG2 3.48Å; W187-T211 HydrophobicContact CG-CG2 3.95Å
188	L	98.2	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.256	C	S	.	.			trans	-131.1	19.1	177.7	-77.8	169.4	0	0	0	110.4	V148 L164 I169 L186 N191 L193 T211 L212 N215	V148-L188 HydrophobicContact CG2-CD2 4.3Å; L164-L188 HydrophobicContact CB-CD2 3.81Å; L164-L188 HydrophobicContact CD1-CD2 4.03Å; I169-L188 HydrophobicContact CD1-CD2 4.27Å; L186-L188 HydrophobicContact CD1-CD1 4.36Å; L186-L188 HydrophobicContact CD1-CG 4.25Å; L186-L188 HydrophobicContact CD2-CD1 3.9Å; L186-L188 HydrophobicContact CG-CD1 4.08Å; L186-L188 HydrophobicContact CG-CG 4.22Å; L188-N191 PolarHBondContact O-ND2 3.21Å; L188-L193 HydrophobicContact CB-CD1 4.39Å; L188-T211 PolarHBondContact N-O 3.09Å; L188-L212 HydrophobicContact CB-CD2 3.81Å; L188-L212 HydrophobicContact CD1-CD2 3.95Å; L188-N215 PolarHBondContact O-ND2 3Å
189	D	97.9	Very high	96.2	Very high	36 Å²	36	53.7 Å²	53.7	19%	0.193	26%	0.261	C	S	.	.			trans	-70.4	160.4	177.1	54.2	-66.8	0	0	0	112.8	D165 A166 N191 T211 A213	D165-D189 CarbonylContact C-O 3.05Å; D165-D189 WeakPolarHBondContact CA-O 3.31Å; D165-D189 WeakPolarHBondContact CB-O 3.47Å; D165-D189 VanDerWaalsContact CB-OD1 3.27Å; D165-D189 WeakPolarHBondContact CB-OD1 3.42Å; A166-D189 PolarHBondContact N-O 3.48Å; D189-N191 PolarHBondContact O-ND2 2.88Å; D189-T211 HydrophobicContact CB-CG2 4.04Å; D189-T211 WeakPolarHBondContact OD1-CG2 3.24Å; D189-A213 CarbonylContact C-O 3.14Å; D189-A213 WeakPolarHBondContact CA-O 3.36Å; D189-A213 HydrophobicContact CB-CB 4.08Å; D189-A213 WeakPolarHBondContact CB-O 3.38Å
190	D	98.3	Very high	96.7	Very high	82 Å²	82	53 Å²	53	44%	0.439	25%	0.254	S	S	.	.	S	Bend	trans	52	62.3	-178.7	-166.9	23.7	0	0	0	111.9	A166 N167 A213 L214	A166-D190 CarbonylContact C-O 3.04Å; A166-D190 WeakPolarHBondContact CA-O 3.38Å; A166-D190 HydrophobicContact CB-CB 4.4Å; A166-D190 PolarHBondContact N-O 3.3Å; N167-D190 PolarHBondContact N-O 2.94Å; N167-D190 VanDerWaalsContact N-O 3.07Å; D190-A213 PolarHBondContact N-O 3.31Å; D190-L214 VanDerWaalsContact CA-O 3.26Å; D190-L214 WeakPolarHBondContact CA-O 3.37Å; D190-L214 HydrophobicContact CB-CB 4.17Å; D190-L214 PolarHBondContact N-O 3.19Å
191	N	98.5	Very high	96.8	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.048	25%	0.254	C	S	.	.	S	Bend	trans	-140.3	-174.2	-177.9	-88.6	-72.8	0	0	0	109.9	L164 N167 I169 L188 D189 L214 N215	L164-N191 PolarHBondContact O-ND2 2.99Å; N167-N191 WeakPolarHBondContact CA-OD1 3.4Å; N167-N191 WeakPolarHBondContact CB-OD1 3.3Å; N167-N191 PolarHBondContact N-OD1 3.47Å; N167-N191 PolarHBondContact O-OD1 3.4Å; I169-N191 HydrophobicContact CB-CB 4.33Å; I169-N191 WeakPolarHBondContact CB-OD1 3.21Å; I169-N191 WeakPolarHBondContact CG1-OD1 3.33Å; I169-N191 PolarHBondContact N-OD1 3.38Å; L188-N191 PolarHBondContact O-ND2 3.21Å; D189-N191 PolarHBondContact O-ND2 2.88Å; N191-L214 PolarHBondContact N-O 3.3Å; N191-N215 WeakPolarHBondContact CA-OD1 3.32Å; N191-N215 WeakPolarHBondContact CB-OD1 3.32Å; N191-N215 PolarHBondContact O-OD1 3.25Å
192	A	97.9	Very high	96.9	Very high	31 Å²	31	45.4 Å²	45.4	26%	0.256	24%	0.236	S	C	.	.			trans	-109.5	27.4	-175.9	0	0	0	0	0	113.1	I169 T194 N215	I169-A192 CarbonylContact O-C 3.55Å; I169-A192 VanDerWaalsContact O-C 3.25Å; I169-A192 WeakPolarHBondContact O-CA 3.49Å; I169-A192 PolarHBondContact O-N 3.05Å; A192-T194 PolarHBondContact O-N 3.18Å; A192-N215 PolarHBondContact N-OD1 3.43Å
193	L	98.1	Very high	96.7	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.237	C	C	.	.			trans	-67.6	128.2	-178.3	-60.9	174.5	0	0	0	110.8	I169 V172 L188 L212 N215 H216 I217	I169-L193 HydrophobicContact CG2-CD2 4.02Å; I169-L193 PolarHBondContact O-N 3.29Å; V172-L193 HydrophobicContact CG2-CD2 3.79Å; L188-L193 HydrophobicContact CB-CD1 4.39Å; L193-L212 HydrophobicContact CD1-CD2 3.9Å; L193-N215 HydrophobicContact CB-CB 4.19Å; L193-N215 WeakPolarHBondContact CB-OD1 3.45Å; L193-N215 VanDerWaalsContact CG-OD1 3.29Å; L193-N215 WeakPolarHBondContact CG-OD1 3.35Å; L193-N215 PolarHBondContact N-OD1 3.37Å; L193-H216 CarbonylContact O-C 3.03Å; L193-H216 VanDerWaalsContact O-CA 3.23Å; L193-H216 WeakPolarHBondContact O-CA 3.5Å; L193-H216 WeakPolarHBondContact O-CB 3.41Å; L193-H216 PolarHBondContact O-N 3.22Å; L193-I217 HydrophobicContact CB-CG1 4.42Å; L193-I217 PolarHBondContact O-N 2.92Å
194	T	96.3	Very high	96.5	Very high	87 Å²	87	46.7 Å²	46.7	53%	0.534	24%	0.237	S	C	.	.			trans	-98.1	-18.7	178.4	54.9	0	0	0	0	113.5	A192 H216 I217	A192-T194 PolarHBondContact O-N 3.18Å; T194-H216 HydrophobicContact CG2-CB 4.49Å; T194-I217 WeakPolarHBondContact O-CA 3.47Å
195	E	96.4	Very high	96.3	Very high	138 Å²	138	44.7 Å²	44.7	65%	0.645	24%	0.239	S	C	*	.	S	Bend	trans	-144.4	159.6	-178.8	63.7	176.3	-162.9	0	0	111.3
196	V	97.1	Very high	96.2	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.036	24%	0.238	C	C	.	.			trans	-72.5	126.4	173.9	-179.7	0	0	0	0	109.5	V198 L201 I217 I220 A224 F225	V196-V198 HydrophobicContact CB-CG2 4.47Å; V196-V198 HydrophobicContact CG1-CG2 4.28Å; V196-V198 PolarHBondContact O-N 3.31Å; V196-L201 HydrophobicContact CG1-CD1 3.91Å; V196-I217 HydrophobicContact CG2-CD1 4.35Å; V196-I217 HydrophobicContact CG2-CG2 4.07Å; V196-I220 HydrophobicContact CG2-CG1 4.42Å; V196-I220 HydrophobicContact CG2-CG2 4.37Å; V196-A224 HydrophobicContact CG1-CB 4.25Å; V196-F225 HydrophobicContact CG1-CD1 4.42Å; V196-F225 HydrophobicContact CG1-CE1 3.54Å; V196-F225 HydrophobicContact CG1-CZ 3.68Å; V196-F225 HydrophobicContact CG2-CZ 4.14Å
197	P	96.1	Very high	96.1	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.091	24%	0.237	C	C	.	.			trans	-80.5	64.7	-177	32.4	-35.4	0	0	0	112.8	V172 K199 A200 L201	V172-P197 HydrophobicContact CB-CB 3.6Å; V172-P197 HydrophobicContact CB-CG 4.1Å; V172-P197 HydrophobicContact CG1-CB 4.08Å; V172-P197 HydrophobicContact CG1-CG 4.41Å; V172-P197 HydrophobicContact CG2-CB 3.94Å; V172-P197 HydrophobicContact CG2-CG 3.93Å; P197-K199 VanDerWaalsContact C-N 3.28Å; P197-K199 PolarHBondContact O-N 3.11Å; P197-K199 VanDerWaalsContact O-N 3.13Å; P197-A200 HydrophobicContact CB-CB 4.47Å; P197-A200 PolarHBondContact O-N 3.13Å; P197-A200 VanDerWaalsContact O-N 3.08Å; P197-L201 HydrophobicContact CG-CD1 4.12Å; P197-L201 HydrophobicContact CG-CG 4.1Å; P197-L201 WeakPolarHBondContact O-CG 3.41Å; P197-L201 PolarHBondContact O-N 3.16Å
198	V	96.3	Very high	96.1	Very high	52 Å²	52	43 Å²	43	32%	0.315	24%	0.237	S	C	.	.	H	α-helix	trans	-49.7	-44.5	-172	-179.3	0	0	0	0	113	V196 G202 P221 A224	V196-V198 HydrophobicContact CB-CG2 4.47Å; V196-V198 HydrophobicContact CG1-CG2 4.28Å; V196-V198 PolarHBondContact O-N 3.31Å; V198-G202 PolarHBondContact O-N 2.67Å; V198-G202 VanDerWaalsContact O-N 3.08Å; V198-P221 HydrophobicContact CG2-CG 3.94Å; V198-A224 HydrophobicContact CG2-CB 3.93Å
199	K	94.6	Very high	96.1	Very high	169 Å²	169	44.4 Å²	44.4	74%	0.735	25%	0.249	S	C	*	.	H	α-helix	trans	-65	-41.3	-177.4	-67.8	-179.5	-178.9	173.3	0	112.6	P174 P197	P174-K199 HydrophobicContact CB-CB 4.17Å; P197-K199 VanDerWaalsContact C-N 3.28Å; P197-K199 PolarHBondContact O-N 3.11Å; P197-K199 VanDerWaalsContact O-N 3.13Å
200	A	94.6	Very high	96.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-74.6	-41.1	-179.6	0	0	0	0	0	111.4	V172 F177 P197 G202 E203	V172-A200 HydrophobicContact CG1-CB 3.64Å; F177-A200 HydrophobicContact CD2-CB 3.98Å; F177-A200 HydrophobicContact CE2-CB 4.14Å; P197-A200 HydrophobicContact CB-CB 4.47Å; P197-A200 PolarHBondContact O-N 3.13Å; P197-A200 VanDerWaalsContact O-N 3.08Å; A200-G202 PolarHBondContact O-N 3.25Å; A200-E203 WeakPolarHBondContact O-CB 3.49Å; A200-E203 PolarHBondContact O-N 2.81Å
201	L	95.1	Very high	96.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-27	176.8	-64.7	177.3	0	0	0	112.7	L186 V196 P197 E203 L204 M210 F225 L228	L186-L201 HydrophobicContact CD2-CD2 4.18Å; V196-L201 HydrophobicContact CG1-CD1 3.91Å; P197-L201 HydrophobicContact CG-CD1 4.12Å; P197-L201 HydrophobicContact CG-CG 4.1Å; P197-L201 WeakPolarHBondContact O-CG 3.41Å; P197-L201 PolarHBondContact O-N 3.16Å; L201-E203 PolarHBondContact O-N 2.78Å; L201-L204 HydrophobicContact CD2-CD1 4.35Å; L201-L204 PolarHBondContact O-N 2.77Å; L201-L204 VanDerWaalsContact O-N 3.09Å; L201-M210 HydrophobicContact CD1-CE 4.06Å; L201-M210 HydrophobicContact CD1-SD 4.14Å; L201-M210 HydrophobicContact CD2-CE 4.45Å; L201-M210 HydrophobicContact CD2-SD 3.52Å; L201-M210 VanDerWaalsContact CD2-SD 3.52Å; L201-M210 HydrophobicContact CG-SD 4.48Å; L201-F225 HydrophobicContact CD1-CD1 4.12Å; L201-F225 HydrophobicContact CD1-CE1 3.94Å; L201-L228 HydrophobicContact CB-CD1 4.47Å; L201-L228 WeakPolarHBondContact O-CD2 3.47Å
202	G	92.8	Very high	96.1	Very high	34 Å²	34	39.1 Å²	39.1	35%	0.351	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-17.9	174.3	0	0	0	0	0	115	V198 A200	V198-G202 PolarHBondContact O-N 2.67Å; V198-G202 VanDerWaalsContact O-N 3.08Å; A200-G202 PolarHBondContact O-N 3.25Å
203	E	91.3	Very high	96.2	Very high	66 Å²	66	37.9 Å²	37.9	31%	0.308	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.1	-179.1	-59.3	178.2	174.8	0	0	113.7	G175 F178 A200 L201 P205	G175-E203 WeakPolarHBondContact CA-OE1 3.46Å; G175-E203 WeakPolarHBondContact CA-OE2 3.49Å; G175-E203 PolarHBondContact N-OE1 3.13Å; F178-E203 PolarHBondContact N-OE2 3.38Å; F178-E203 VanDerWaalsContact N-OE2 3.11Å; A200-E203 WeakPolarHBondContact O-CB 3.49Å; A200-E203 PolarHBondContact O-N 2.81Å; L201-E203 PolarHBondContact O-N 2.78Å; E203-P205 WeakPolarHBondContact O-CD 3.48Å
204	L	94.6	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.			trans	-114.6	60.2	-171.2	-64.2	176.3	0	0	0	113.8	F177 L180 L183 L186 L201 T206 L207 L228	F177-L204 HydrophobicContact CB-CD1 4.3Å; F177-L204 HydrophobicContact CB-CD2 3.89Å; F177-L204 HydrophobicContact CB-CG 4.09Å; F177-L204 HydrophobicContact CD2-CD1 3.76Å; F177-L204 HydrophobicContact CD2-CG 4.34Å; F177-L204 HydrophobicContact CE2-CD1 4.26Å; F177-L204 HydrophobicContact CG-CD1 4.05Å; F177-L204 HydrophobicContact CG-CD2 4.42Å; F177-L204 HydrophobicContact CG-CG 4.39Å; L180-L204 HydrophobicContact CB-CD2 4.17Å; L183-L204 HydrophobicContact CB-CD2 4.19Å; L183-L204 HydrophobicContact CD2-CD1 4.09Å; L183-L204 HydrophobicContact CD2-CD2 3.73Å; L186-L204 HydrophobicContact CD2-CD1 3.9Å; L201-L204 HydrophobicContact CD2-CD1 4.35Å; L201-L204 PolarHBondContact O-N 2.77Å; L201-L204 VanDerWaalsContact O-N 3.09Å; L204-T206 PolarHBondContact O-N 3.07Å; L204-T206 VanDerWaalsContact O-N 3.14Å; L204-L207 HydrophobicContact CB-CB 4.33Å; L204-L207 HydrophobicContact CD1-CD2 4.4Å; L204-L207 WeakPolarHBondContact O-CB 3.36Å; L204-L207 PolarHBondContact O-N 3.21Å; L204-L228 HydrophobicContact CB-CD2 4.14Å; L204-L228 WeakPolarHBondContact O-CD2 3.49Å
205	P	92.9	Very high	96.3	Very high	70 Å²	70	37.4 Å²	37.4	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.5	-176.2	30.7	-37.1	0	0	0	114.4	E203	E203-P205 WeakPolarHBondContact O-CD 3.48Å
206	T	95.9	Very high	96.3	Very high	42 Å²	42	34.3 Å²	34.3	26%	0.258	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.1	-179.7	55	0	0	0	0	114.3	R181 L183 L204	R181-T206 VanDerWaalsContact O-CG2 3.3Å; R181-T206 WeakPolarHBondContact O-CG2 3.4Å; R181-T206 PolarHBondContact O-OG1 2.95Å; L183-T206 CarbonylContact O-C 3.02Å; L183-T206 VanDerWaalsContact O-C 3.25Å; L183-T206 PolarHBondContact O-OG1 2.96Å; L204-T206 PolarHBondContact O-N 3.07Å; L204-T206 VanDerWaalsContact O-N 3.14Å
207	L	97.6	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.			trans	-62.7	136.5	-174.4	-156.1	68.9	0	0	0	110.9	L183 L186 L204 M210 L228 R230 L231	L183-L207 HydrophobicContact CD2-CD1 4.11Å; L183-L207 HydrophobicContact CG-CD1 4.17Å; L183-L207 PolarHBondContact O-N 3.43Å; L186-L207 HydrophobicContact CB-CD1 3.82Å; L186-L207 HydrophobicContact CB-CD2 4.28Å; L186-L207 HydrophobicContact CD2-CD2 4.46Å; L204-L207 HydrophobicContact CB-CB 4.33Å; L204-L207 HydrophobicContact CD1-CD2 4.4Å; L204-L207 WeakPolarHBondContact O-CB 3.36Å; L204-L207 PolarHBondContact O-N 3.21Å; L207-M210 HydrophobicContact CD2-CB 3.85Å; L207-M210 HydrophobicContact CD2-CG 4.19Å; L207-M210 HydrophobicContact CD2-SD 3.84Å; L207-L228 HydrophobicContact CB-CD2 4.38Å; L207-R230 CarbonylContact O-C 3.57Å; L207-L231 HydrophobicContact CB-CD1 4.17Å; L207-L231 HydrophobicContact CD2-CD1 4.01Å; L207-L231 HydrophobicContact CG-CD1 3.95Å; L207-L231 VanDerWaalsContact O-CA 3.29Å; L207-L231 WeakPolarHBondContact O-CA 3.31Å; L207-L231 PolarHBondContact O-N 3.13Å; L207-L231 VanDerWaalsContact O-N 3.11Å
208	Q	98.1	Very high	96.4	Very high	61 Å²	61	35.7 Å²	35.7	29%	0.285	20%	0.203	S	C	.	.			trans	-116.3	-36.9	-177.6	-65.2	-173.3	-43.8	0	0	111.9	R184 V232 V233	R184-Q208 HydrophobicContact CB-CB 4.42Å; R184-Q208 HydrophobicContact CB-CG 4.37Å; R184-Q208 HydrophobicContact CG-CG 4.47Å; R184-Q208 WeakPolarHBondContact O-CA 3.38Å; R184-Q208 PolarHBondContact O-N 2.9Å; Q208-V232 WeakPolarHBondContact O-CA 3.38Å; Q208-V232 PolarHBondContact O-N 3.48Å; Q208-V233 PolarHBondContact O-N 2.96Å
209	A	98.6	Very high	96.4	Very high	29 Å²	29	37.3 Å²	37.3	24%	0.24	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.3	175.2	0	0	0	0	0	110.8	R184 H185 L186 V233	R184-A209 PolarHBondContact O-N 3.46Å; H185-A209 WeakPolarHBondContact CA-O 3.46Å; L186-A209 PolarHBondContact N-O 3.25Å; L186-A209 VanDerWaalsContact N-O 3.1Å; A209-V233 WeakPolarHBondContact CA-O 3.43Å; A209-V233 HydrophobicContact CB-CB 4.12Å
210	M	98.3	Very high	96.6	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.02	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.5	176	-173.4	171.8	62	0	0	110.7	L186 L201 L207 L212 F225 L228 L231 V233 L234 H235	L186-M210 HydrophobicContact CB-CG 4.48Å; L186-M210 HydrophobicContact CD2-SD 4.24Å; L186-M210 WeakPolarHBondContact O-CA 3.33Å; L201-M210 HydrophobicContact CD1-CE 4.06Å; L201-M210 HydrophobicContact CD1-SD 4.14Å; L201-M210 HydrophobicContact CD2-CE 4.45Å; L201-M210 HydrophobicContact CD2-SD 3.52Å; L201-M210 VanDerWaalsContact CD2-SD 3.52Å; L201-M210 HydrophobicContact CG-SD 4.48Å; L207-M210 HydrophobicContact CD2-CB 3.85Å; L207-M210 HydrophobicContact CD2-CG 4.19Å; L207-M210 HydrophobicContact CD2-SD 3.84Å; M210-L212 HydrophobicContact CE-CD1 4.05Å; M210-L212 HydrophobicContact CG-CG 4.41Å; M210-L212 HydrophobicContact SD-CD1 4.47Å; M210-L212 HydrophobicContact SD-CG 4.49Å; M210-F225 HydrophobicContact CE-CD1 3.99Å; M210-F225 HydrophobicContact CE-CE1 3.74Å; M210-L228 HydrophobicContact CE-CD1 3.99Å; M210-L231 HydrophobicContact CB-CD1 4.04Å; M210-L231 HydrophobicContact CE-CD2 4.48Å; M210-V233 PolarHBondContact N-O 3.19Å; M210-L234 HydrophobicContact CB-CD1 4.49Å; M210-L234 HydrophobicContact CE-CD1 3.58Å; M210-L234 WeakPolarHBondContact O-CA 3.37Å; M210-H235 PolarHBondContact O-N 3Å
211	T	98.3	Very high	96.7	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.08	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.9	169.8	178.5	0	0	0	0	110.7	L186 W187 L188 D189 A213	L186-T211 PolarHBondContact O-N 3.02Å; W187-T211 HydrophobicContact CB-CG2 3.96Å; W187-T211 VanDerWaalsContact CD1-CG2 3.48Å; W187-T211 HydrophobicContact CG-CG2 3.95Å; L188-T211 PolarHBondContact N-O 3.09Å; D189-T211 HydrophobicContact CB-CG2 4.04Å; D189-T211 WeakPolarHBondContact OD1-CG2 3.24Å; T211-A213 WeakPolarHBondContact OG1-CB 3.31Å; T211-A213 PolarHBondContact OG1-N 3.16Å
212	L	98.3	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.			trans	-120.5	22.8	171.8	-64.2	172.1	0	0	0	109.5	L188 L193 M210 N215 I217 F225 H235 L236 N239	L188-L212 HydrophobicContact CB-CD2 3.81Å; L188-L212 HydrophobicContact CD1-CD2 3.95Å; L193-L212 HydrophobicContact CD1-CD2 3.9Å; M210-L212 HydrophobicContact CE-CD1 4.05Å; M210-L212 HydrophobicContact CG-CG 4.41Å; M210-L212 HydrophobicContact SD-CD1 4.47Å; M210-L212 HydrophobicContact SD-CG 4.49Å; L212-N215 PolarHBondContact O-ND2 3.09Å; L212-I217 HydrophobicContact CB-CD1 4.07Å; L212-I217 HydrophobicContact CD1-CD1 4.37Å; L212-F225 HydrophobicContact CD1-CE1 4.38Å; L212-H235 PolarHBondContact N-O 3.46Å; L212-L236 HydrophobicContact CB-CD2 3.92Å; L212-L236 HydrophobicContact CD1-CD2 4Å; L212-N239 PolarHBondContact O-ND2 3.45Å
213	A	98.3	Very high	96.9	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	21%	0.208	C	C	.	.			trans	-66.2	163.3	-176.8	0	0	0	0	0	112.1	D189 D190 T211 N215 N237	D189-A213 CarbonylContact C-O 3.14Å; D189-A213 WeakPolarHBondContact CA-O 3.36Å; D189-A213 HydrophobicContact CB-CB 4.08Å; D189-A213 WeakPolarHBondContact CB-O 3.38Å; D190-A213 PolarHBondContact N-O 3.31Å; T211-A213 WeakPolarHBondContact OG1-CB 3.31Å; T211-A213 PolarHBondContact OG1-N 3.16Å; A213-N215 VanDerWaalsContact C-N 3.3Å; A213-N215 PolarHBondContact O-N 3.23Å; A213-N215 PolarHBondContact O-ND2 3.46Å; A213-N237 CarbonylContact C-O 3.54Å; A213-N237 WeakPolarHBondContact CA-O 3.49Å; A213-N237 WeakPolarHBondContact CB-O 3.46Å; A213-N237 WeakPolarHBondContact CB-OD1 2.95Å
214	L	98.3	Very high	97.2	Very high	79 Å²	79	34.7 Å²	34.7	41%	0.414	19%	0.194	S	C	.	.	S	Bend	trans	51.4	48.1	177.2	-66.2	87.8	0	0	0	112.6	D190 N191 N237 N238	D190-L214 VanDerWaalsContact CA-O 3.26Å; D190-L214 WeakPolarHBondContact CA-O 3.37Å; D190-L214 HydrophobicContact CB-CB 4.17Å; D190-L214 PolarHBondContact N-O 3.19Å; N191-L214 PolarHBondContact N-O 3.3Å; L214-N237 PolarHBondContact N-O 2.65Å; L214-N238 WeakPolarHBondContact CA-O 3.32Å; L214-N238 HydrophobicContact CD1-CB 4.16Å; L214-N238 HydrophobicContact CG-CB 3.86Å; L214-N238 PolarHBondContact N-O 3.21Å
215	N	98.6	Very high	97.3	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	20%	0.195	C	C	.	.	S	Bend	trans	-123.2	-165.5	176.7	-86.7	-85.3	0	0	0	109.7	L188 N191 A192 L193 L212 A213 I217 N238 N239	L188-N215 PolarHBondContact O-ND2 3Å; N191-N215 WeakPolarHBondContact CA-OD1 3.32Å; N191-N215 WeakPolarHBondContact CB-OD1 3.32Å; N191-N215 PolarHBondContact O-OD1 3.25Å; A192-N215 PolarHBondContact N-OD1 3.43Å; L193-N215 HydrophobicContact CB-CB 4.19Å; L193-N215 WeakPolarHBondContact CB-OD1 3.45Å; L193-N215 VanDerWaalsContact CG-OD1 3.29Å; L193-N215 WeakPolarHBondContact CG-OD1 3.35Å; L193-N215 PolarHBondContact N-OD1 3.37Å; L212-N215 PolarHBondContact O-ND2 3.09Å; A213-N215 VanDerWaalsContact C-N 3.3Å; A213-N215 PolarHBondContact O-N 3.23Å; A213-N215 PolarHBondContact O-ND2 3.46Å; N215-I217 HydrophobicContact CB-CD1 4.48Å; N215-I217 HydrophobicContact CB-CG1 4.29Å; N215-N238 PolarHBondContact N-O 2.69Å; N215-N239 WeakPolarHBondContact CA-OD1 3.43Å; N215-N239 WeakPolarHBondContact CB-OD1 3.18Å; N215-N239 PolarHBondContact N-OD1 3.46Å; N215-N239 PolarHBondContact O-OD1 2.88Å
216	H	97.9	Very high	97.4	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.338	19%	0.19	S	C	.	.			trans	-119.1	28.8	-179.3	-60.2	-24.5	0	0	0	112.1	L193 T194 A218 N239 R240	L193-H216 CarbonylContact O-C 3.03Å; L193-H216 VanDerWaalsContact O-CA 3.23Å; L193-H216 WeakPolarHBondContact O-CA 3.5Å; L193-H216 WeakPolarHBondContact O-CB 3.41Å; L193-H216 PolarHBondContact O-N 3.22Å; T194-H216 HydrophobicContact CG2-CB 4.49Å; H216-A218 PolarHBondContact O-N 3.48Å; H216-N239 PolarHBondContact N-OD1 3.4Å; H216-R240 PolarHBondContact CE1-NH2 2.93Å; H216-R240 VanDerWaalsContact CE1-NH2 3.27Å; H216-R240 PolarHBondContact ND1-NH2 2.85Å
217	I	98.1	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.			trans	-67.8	122.2	-178.3	-59.2	170.8	0	0	0	108.9	L193 T194 V196 L212 N215 L236 N239 R240 I241	L193-I217 HydrophobicContact CB-CG1 4.42Å; L193-I217 PolarHBondContact O-N 2.92Å; T194-I217 WeakPolarHBondContact O-CA 3.47Å; V196-I217 HydrophobicContact CG2-CD1 4.35Å; V196-I217 HydrophobicContact CG2-CG2 4.07Å; L212-I217 HydrophobicContact CB-CD1 4.07Å; L212-I217 HydrophobicContact CD1-CD1 4.37Å; N215-I217 HydrophobicContact CB-CD1 4.48Å; N215-I217 HydrophobicContact CB-CG1 4.29Å; I217-L236 HydrophobicContact CD1-CD2 4.4Å; I217-N239 HydrophobicContact CB-CB 4.41Å; I217-N239 WeakPolarHBondContact CB-OD1 3.4Å; I217-N239 WeakPolarHBondContact CG1-OD1 3.29Å; I217-N239 PolarHBondContact N-OD1 2.86Å; I217-R240 CarbonylContact O-C 3.53Å; I217-R240 WeakPolarHBondContact O-CA 3.49Å; I217-R240 PolarHBondContact O-N 3.39Å; I217-I241 HydrophobicContact CG2-CG1 4.27Å; I217-I241 WeakPolarHBondContact O-CG1 3.46Å; I217-I241 PolarHBondContact O-N 2.96Å; I217-I241 VanDerWaalsContact O-N 3.07Å
218	A	96.4	Very high	97.3	Very high	48 Å²	48	38.4 Å²	38.4	40%	0.397	21%	0.206	S	C	.	.			trans	-101.5	-26.3	-177.9	0	0	0	0	0	114.2	H216 R240 I241 V242	H216-A218 PolarHBondContact O-N 3.48Å; A218-R240 WeakPolarHBondContact CA-O 3.35Å; A218-I241 WeakPolarHBondContact O-CA 3.34Å; A218-V242 PolarHBondContact O-N 3.26Å
219	H	96.7	Very high	97.1	Very high	87 Å²	87	36.7 Å²	36.7	40%	0.403	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	141.1	-175.6	-179.4	68.9	0	0	0	111.8	S243	H219-S243 WeakPolarHBondContact CA-O 3.2Å; H219-S243 PolarHBondContact ND1-O 3.34Å; H219-S243 PolarHBondContact ND1-OG 3.4Å
220	I	97.6	Very high	97.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.5	172.8	-50.3	179.4	0	0	0	109.6	V196 A224 F225 L236 I241 S243 M244 G245 C248 F249	V196-I220 HydrophobicContact CG2-CG1 4.42Å; V196-I220 HydrophobicContact CG2-CG2 4.37Å; I220-A224 HydrophobicContact CG2-CB 3.94Å; I220-F225 HydrophobicContact CG2-CE2 3.87Å; I220-F225 HydrophobicContact CG2-CZ 4.5Å; I220-L236 HydrophobicContact CD1-CD1 3.78Å; I220-I241 HydrophobicContact CD1-CD1 3.98Å; I220-I241 HydrophobicContact CG1-CD1 4.38Å; I220-I241 HydrophobicContact CG1-CG2 4.37Å; I220-S243 PolarHBondContact N-O 2.8Å; I220-M244 HydrophobicContact CB-CB 4.17Å; I220-M244 WeakPolarHBondContact O-CA 3.37Å; I220-G245 PolarHBondContact O-N 2.86Å; I220-C248 HydrophobicContact CB-CB 4.28Å; I220-C248 HydrophobicContact CG2-CB 3.66Å; I220-F249 HydrophobicContact CD1-CE1 4.32Å; I220-F249 HydrophobicContact CD1-CZ 4.2Å
221	P	96.8	Very high	97.1	Very high	45 Å²	45	42.2 Å²	42.2	29%	0.292	22%	0.219	S	C	.	.			trans	-74.2	161.5	-179.4	30	-33.8	0	0	0	112.6	V198 A224 C248	V198-P221 HydrophobicContact CG2-CG 3.94Å; P221-A224 HydrophobicContact CG-CB 4.1Å; P221-A224 VanDerWaalsContact O-CB 3.32Å; P221-A224 WeakPolarHBondContact O-CB 3.43Å; P221-A224 PolarHBondContact O-N 3.4Å; P221-C248 WeakPolarHBondContact O-CA 3.49Å; P221-C248 WeakPolarHBondContact O-CB 3.41Å
222	D	96.8	Very high	97.1	Very high	79 Å²	79	43.7 Å²	43.7	42%	0.422	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	142.1	173.3	-80.4	-23.2	0	0	0	111.9	A224 G245 N246 N247 C248	D222-A224 PolarHBondContact O-N 2Å; D222-A224 VanDerWaalsContact O-N 3.13Å; D222-G245 WeakPolarHBondContact OD1-CA 3.35Å; D222-N246 PolarHBondContact OD1-N 3.3Å; D222-N246 VanDerWaalsContact OD1-N 3.08Å; D222-N247 HydrophobicContact CB-CB 4.5Å; D222-N247 WeakPolarHBondContact OD1-CA 3.45Å; D222-N247 PolarHBondContact OD1-N 3.21Å; D222-C248 PolarHBondContact OD1-N 3.05Å
223	H	96.3	Very high	97.1	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.407	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	19.7	179.7	-52.3	-61.3	0	0	0	115.6	F225 S226 N247	H223-F225 PolarHBondContact O-N 3.21Å; H223-F225 VanDerWaalsContact O-N 3.09Å; H223-S226 WeakPolarHBondContact O-CB 3.37Å; H223-S226 PolarHBondContact O-N 3.19Å; H223-S226 VanDerWaalsContact O-N 3.12Å; H223-S226 PolarHBondContact O-OG 3.25Å; H223-N247 PolarHBondContact N-O 3.11Å
224	A	96.9	Very high	97.1	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.1	-178.9	0	0	0	0	0	113.6	V196 V198 I220 P221 D222 C248	V196-A224 HydrophobicContact CG1-CB 4.25Å; V198-A224 HydrophobicContact CG2-CB 3.93Å; I220-A224 HydrophobicContact CG2-CB 3.94Å; P221-A224 HydrophobicContact CG-CB 4.1Å; P221-A224 VanDerWaalsContact O-CB 3.32Å; P221-A224 WeakPolarHBondContact O-CB 3.43Å; P221-A224 PolarHBondContact O-N 3.4Å; D222-A224 PolarHBondContact O-N 2Å; D222-A224 VanDerWaalsContact O-N 3.13Å; A224-C248 PolarHBondContact N-O 2.97Å
225	F	96.6	Very high	97.1	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	18.5	-176.3	-50.9	-71.6	0	0	0	113.5	V196 L201 M210 L212 I220 H223 K227 L228 L234 F249 L252	V196-F225 HydrophobicContact CG1-CD1 4.42Å; V196-F225 HydrophobicContact CG1-CE1 3.54Å; V196-F225 HydrophobicContact CG1-CZ 3.68Å; V196-F225 HydrophobicContact CG2-CZ 4.14Å; L201-F225 HydrophobicContact CD1-CD1 4.12Å; L201-F225 HydrophobicContact CD1-CE1 3.94Å; M210-F225 HydrophobicContact CE-CD1 3.99Å; M210-F225 HydrophobicContact CE-CE1 3.74Å; L212-F225 HydrophobicContact CD1-CE1 4.38Å; I220-F225 HydrophobicContact CG2-CE2 3.87Å; I220-F225 HydrophobicContact CG2-CZ 4.5Å; H223-F225 PolarHBondContact O-N 3.21Å; H223-F225 VanDerWaalsContact O-N 3.09Å; F225-K227 PolarHBondContact O-N 3.36Å; F225-L228 HydrophobicContact CB-CD1 4.13Å; F225-L228 HydrophobicContact CD1-CD1 3.87Å; F225-L228 HydrophobicContact CG-CD1 4.48Å; F225-L228 WeakPolarHBondContact O-CB 3.35Å; F225-L228 PolarHBondContact O-N 3.22Å; F225-L234 HydrophobicContact CD2-CD2 4.29Å; F225-L234 HydrophobicContact CE2-CD2 4.08Å; F225-L234 HydrophobicContact CZ-CD2 4.24Å; F225-F249 AromaticContact CD2-CD1 3.95Å; F225-F249 HydrophobicContact CD2-CD1 3.95Å; F225-F249 HydrophobicContact CD2-CE1 4.3Å; F225-F249 HydrophobicContact CE2-CD1 4.1Å; F225-F249 AromaticContact CE2-CE1 3.97Å; F225-F249 HydrophobicContact CE2-CE1 3.97Å; F225-L252 HydrophobicContact CB-CD1 3.9Å; F225-L252 HydrophobicContact CB-CD2 3.7Å; F225-L252 HydrophobicContact CB-CG 3.85Å; F225-L252 HydrophobicContact CD2-CD1 4.23Å; F225-L252 HydrophobicContact CG-CD1 4.29Å
226	S	95.1	Very high	97.1	Very high	49 Å²	49	44.4 Å²	44.4	34%	0.343	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.5	-168.4	57.3	0	0	0	0	116.4	H223 H250	H223-S226 WeakPolarHBondContact O-CB 3.37Å; H223-S226 PolarHBondContact O-N 3.19Å; H223-S226 VanDerWaalsContact O-N 3.12Å; H223-S226 PolarHBondContact O-OG 3.25Å; S226-H250 VanDerWaalsContact CA-O 3.25Å; S226-H250 WeakPolarHBondContact CA-O 3.34Å
227	K	94.8	Very high	97.1	Very high	139 Å²	139	42.2 Å²	42.2	60%	0.604	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-8	177.5	-60.3	-59.5	-175.8	-177	0	113.8	F225 G229	F225-K227 PolarHBondContact O-N 3.36Å; K227-G229 VanDerWaalsContact C-N 3.27Å; K227-G229 PolarHBondContact O-N 3.3Å; K227-G229 VanDerWaalsContact O-N 3.12Å
228	L	96.3	Very high	97.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.238	C	C	.	.			trans	-89.7	53.2	-175.2	-56.4	-176.8	0	0	0	111.8	L201 L204 L207 M210 F225 R230 L231 L252	L201-L228 HydrophobicContact CB-CD1 4.47Å; L201-L228 WeakPolarHBondContact O-CD2 3.47Å; L204-L228 HydrophobicContact CB-CD2 4.14Å; L204-L228 WeakPolarHBondContact O-CD2 3.49Å; L207-L228 HydrophobicContact CB-CD2 4.38Å; M210-L228 HydrophobicContact CE-CD1 3.99Å; F225-L228 HydrophobicContact CB-CD1 4.13Å; F225-L228 HydrophobicContact CD1-CD1 3.87Å; F225-L228 HydrophobicContact CG-CD1 4.48Å; F225-L228 WeakPolarHBondContact O-CB 3.35Å; F225-L228 PolarHBondContact O-N 3.22Å; L228-R230 PolarHBondContact O-N 2.55Å; L228-R230 VanDerWaalsContact O-N 3.09Å; L228-L231 HydrophobicContact CB-CB 4.13Å; L228-L231 HydrophobicContact CB-CD2 4.49Å; L228-L231 HydrophobicContact CD1-CD2 4.17Å; L228-L231 WeakPolarHBondContact O-CB 3.43Å; L228-L231 PolarHBondContact O-N 2.99Å; L228-L231 VanDerWaalsContact O-N 3.16Å; L228-L252 HydrophobicContact CB-CD2 3.8Å; L228-L252 WeakPolarHBondContact O-CD2 3.07Å
229	G	94.9	Very high	97.2	Very high	25 Å²	25	43.4 Å²	43.4	26%	0.258	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.1	-171.7	0	0	0	0	0	116	K227 G251 S254	K227-G229 VanDerWaalsContact C-N 3.27Å; K227-G229 PolarHBondContact O-N 3.3Å; K227-G229 VanDerWaalsContact O-N 3.12Å; G229-G251 WeakPolarHBondContact CA-O 3.4Å; G229-S254 PolarHBondContact O-OG 2.92Å
230	R	97.3	Very high	97.3	Very high	149 Å²	149	45.9 Å²	45.9	56%	0.562	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	3.4	179.9	-59.6	-178.3	74.6	97.2	1.1	113.5	L207 L228 V232	L207-R230 CarbonylContact O-C 3.57Å; L228-R230 PolarHBondContact O-N 2.55Å; L228-R230 VanDerWaalsContact O-N 3.09Å; R230-V232 PolarHBondContact O-N 2.83Å
231	L	98.3	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.			trans	-69.3	128.4	-178.8	-162.6	74.4	0	0	0	109.2	L207 M210 L228 L234 L252 S254 L255	L207-L231 HydrophobicContact CB-CD1 4.17Å; L207-L231 HydrophobicContact CD2-CD1 4.01Å; L207-L231 HydrophobicContact CG-CD1 3.95Å; L207-L231 VanDerWaalsContact O-CA 3.29Å; L207-L231 WeakPolarHBondContact O-CA 3.31Å; L207-L231 PolarHBondContact O-N 3.13Å; L207-L231 VanDerWaalsContact O-N 3.11Å; M210-L231 HydrophobicContact CB-CD1 4.04Å; M210-L231 HydrophobicContact CE-CD2 4.48Å; L228-L231 HydrophobicContact CB-CB 4.13Å; L228-L231 HydrophobicContact CB-CD2 4.49Å; L228-L231 HydrophobicContact CD1-CD2 4.17Å; L228-L231 WeakPolarHBondContact O-CB 3.43Å; L228-L231 PolarHBondContact O-N 2.99Å; L228-L231 VanDerWaalsContact O-N 3.16Å; L231-L234 HydrophobicContact CD2-CB 4.01Å; L231-L234 HydrophobicContact CD2-CD1 4.33Å; L231-L234 HydrophobicContact CD2-CD2 4.45Å; L231-L252 HydrophobicContact CB-CD2 3.95Å; L231-L252 HydrophobicContact CD2-CD2 3.82Å; L231-S254 CarbonylContact O-C 3.06Å; L231-L255 HydrophobicContact CB-CD1 4.37Å; L231-L255 HydrophobicContact CD2-CD1 4.05Å; L231-L255 HydrophobicContact CG-CD1 4.09Å; L231-L255 VanDerWaalsContact O-CA 3.26Å; L231-L255 WeakPolarHBondContact O-CA 3.43Å; L231-L255 PolarHBondContact O-N 3.24Å; L231-L255 VanDerWaalsContact O-N 3.08Å
232	V	98.4	Very high	97.3	Very high	43 Å²	43	47.4 Å²	47.4	26%	0.261	24%	0.236	S	C	.	.			trans	-105.8	-40.6	-179.2	-179.5	0	0	0	0	110.3	Q208 R230 S254 E256 T257	Q208-V232 WeakPolarHBondContact O-CA 3.38Å; Q208-V232 PolarHBondContact O-N 3.48Å; R230-V232 PolarHBondContact O-N 2.83Å; V232-S254 WeakPolarHBondContact CA-O 3.34Å; V232-E256 HydrophobicContact CG1-CB 3.93Å; V232-E256 HydrophobicContact CG1-CG 3.93Å; V232-E256 PolarHBondContact O-N 3.37Å; V232-T257 PolarHBondContact O-N 3.46Å
233	V	98.7	Very high	97.2	Very high	39 Å²	39	46.6 Å²	46.6	24%	0.236	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.5	-176	-177.5	0	0	0	0	110.3	Q208 A209 M210 H235 T257	Q208-V233 PolarHBondContact O-N 2.96Å; A209-V233 WeakPolarHBondContact CA-O 3.43Å; A209-V233 HydrophobicContact CB-CB 4.12Å; M210-V233 PolarHBondContact N-O 3.19Å; V233-H235 VanDerWaalsContact CG1-NE2 3.28Å; V233-H235 WeakPolarHBondContact CG1-NE2 3.34Å; V233-T257 HydrophobicContact CG1-CG2 4.5Å
234	L	98.6	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	114.3	174.4	178.1	57.7	0	0	0	110.5	M210 F225 L231 L236 F249 L252 L255 T257 L258 D259	M210-L234 HydrophobicContact CB-CD1 4.49Å; M210-L234 HydrophobicContact CE-CD1 3.58Å; M210-L234 WeakPolarHBondContact O-CA 3.37Å; F225-L234 HydrophobicContact CD2-CD2 4.29Å; F225-L234 HydrophobicContact CE2-CD2 4.08Å; F225-L234 HydrophobicContact CZ-CD2 4.24Å; L231-L234 HydrophobicContact CD2-CB 4.01Å; L231-L234 HydrophobicContact CD2-CD1 4.33Å; L231-L234 HydrophobicContact CD2-CD2 4.45Å; L234-L236 HydrophobicContact CD1-CD1 4.41Å; L234-L236 HydrophobicContact CD1-CG 4.23Å; L234-L236 HydrophobicContact CD2-CD1 3.93Å; L234-L236 HydrophobicContact CG-CD1 4.01Å; L234-L236 HydrophobicContact CG-CG 4.19Å; L234-F249 HydrophobicContact CD2-CD1 4.42Å; L234-F249 HydrophobicContact CD2-CE1 4.18Å; L234-L252 HydrophobicContact CD2-CD1 4.04Å; L234-L255 HydrophobicContact CB-CD1 3.81Å; L234-L255 HydrophobicContact CB-CD2 4.49Å; L234-T257 PolarHBondContact N-O 3.02Å; L234-L258 HydrophobicContact CB-CD1 4.26Å; L234-L258 HydrophobicContact CD2-CD1 4.04Å; L234-L258 HydrophobicContact CG-CD1 4.15Å; L234-D259 PolarHBondContact O-N 3.3Å
235	H	98.8	Very high	97	Very high	63 Å²	63	44.4 Å²	44.4	29%	0.292	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.3	174.1	-61.7	169.5	0	0	0	111.2	M210 L212 V233 D259	M210-H235 PolarHBondContact O-N 3Å; L212-H235 PolarHBondContact N-O 3.46Å; V233-H235 VanDerWaalsContact CG1-NE2 3.28Å; V233-H235 WeakPolarHBondContact CG1-NE2 3.34Å; H235-D259 HydrophobicContact CB-CB 4.47Å
236	L	98.4	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.			trans	-130.5	13.7	179.2	-74.2	163.4	0	0	0	111.2	L212 I217 I220 L234 N239 I241 F249 L258 D259 L260 N263	L212-L236 HydrophobicContact CB-CD2 3.92Å; L212-L236 HydrophobicContact CD1-CD2 4Å; I217-L236 HydrophobicContact CD1-CD2 4.4Å; I220-L236 HydrophobicContact CD1-CD1 3.78Å; L234-L236 HydrophobicContact CD1-CD1 4.41Å; L234-L236 HydrophobicContact CD1-CG 4.23Å; L234-L236 HydrophobicContact CD2-CD1 3.93Å; L234-L236 HydrophobicContact CG-CD1 4.01Å; L234-L236 HydrophobicContact CG-CG 4.19Å; L236-N239 PolarHBondContact O-ND2 2.95Å; L236-I241 HydrophobicContact CB-CD1 4.13Å; L236-F249 HydrophobicContact CD1-CE1 4.14Å; L236-F249 HydrophobicContact CD1-CZ 4.46Å; L236-L258 HydrophobicContact CD1-CD1 4.48Å; L236-D259 CarbonylContact C-O 3.45Å; L236-D259 WeakPolarHBondContact CA-O 3.32Å; L236-D259 WeakPolarHBondContact CB-O 3.35Å; L236-D259 PolarHBondContact N-O 3.05Å; L236-L260 HydrophobicContact CB-CD2 3.93Å; L236-L260 HydrophobicContact CD1-CD2 3.9Å; L236-N263 PolarHBondContact O-ND2 3.35Å
237	N	98.4	Very high	97	Very high	26 Å²	26	50.7 Å²	50.7	14%	0.139	26%	0.259	C	S	.	.			trans	-66.9	159.8	-178.6	58.5	-50	0	0	0	113.5	A213 L214 N239 D259 N261	A213-N237 CarbonylContact C-O 3.54Å; A213-N237 WeakPolarHBondContact CA-O 3.49Å; A213-N237 WeakPolarHBondContact CB-O 3.46Å; A213-N237 WeakPolarHBondContact CB-OD1 2.95Å; L214-N237 PolarHBondContact N-O 2.65Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.24Å; N237-N239 PolarHBondContact O-ND2 3.47Å; N237-D259 WeakPolarHBondContact CB-OD1 3.47Å; N237-D259 VanDerWaalsContact CG-OD2 3.31Å; N237-D259 PolarHBondContact N-O 3.3Å; N237-N261 CarbonylContact C-O 3.56Å; N237-N261 WeakPolarHBondContact CA-O 3.44Å; N237-N261 HydrophobicContact CB-CB 4.13Å; N237-N261 VanDerWaalsContact CB-O 3.25Å; N237-N261 WeakPolarHBondContact CB-O 3.29Å
238	N	98.4	Very high	97.1	Very high	64 Å²	64	44.1 Å²	44.1	34%	0.342	23%	0.231	S	C	.	.	S	Bend	trans	54.5	44.5	-178.8	-64.9	-67.8	0	0	0	112.4	L214 N215 N261 Y262	L214-N238 WeakPolarHBondContact CA-O 3.32Å; L214-N238 HydrophobicContact CD1-CB 4.16Å; L214-N238 HydrophobicContact CG-CB 3.86Å; L214-N238 PolarHBondContact N-O 3.21Å; N215-N238 PolarHBondContact N-O 2.69Å; N238-N261 PolarHBondContact N-O 3.47Å; N238-Y262 VanDerWaalsContact CA-O 3.23Å; N238-Y262 WeakPolarHBondContact CA-O 3.12Å; N238-Y262 PolarHBondContact N-O 3.42Å; N238-Y262 VanDerWaalsContact OD1-CB 3.24Å; N238-Y262 WeakPolarHBondContact OD1-CB 3.44Å
239	N	98.4	Very high	97.1	Very high	10 Å²	10	44 Å²	44	5%	0.053	23%	0.23	C	C	.	.	S	Bend	trans	-111.2	-164.1	171.6	-88.8	-79.1	0	0	0	109.6	L212 N215 H216 I217 L236 N237 I241 Y262 N263	L212-N239 PolarHBondContact O-ND2 3.45Å; N215-N239 WeakPolarHBondContact CA-OD1 3.43Å; N215-N239 WeakPolarHBondContact CB-OD1 3.18Å; N215-N239 PolarHBondContact N-OD1 3.46Å; N215-N239 PolarHBondContact O-OD1 2.88Å; H216-N239 PolarHBondContact N-OD1 3.4Å; I217-N239 HydrophobicContact CB-CB 4.41Å; I217-N239 WeakPolarHBondContact CB-OD1 3.4Å; I217-N239 WeakPolarHBondContact CG1-OD1 3.29Å; I217-N239 PolarHBondContact N-OD1 2.86Å; L236-N239 PolarHBondContact O-ND2 2.95Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-N239 PolarHBondContact O-N 3.24Å; N237-N239 PolarHBondContact O-ND2 3.47Å; N239-I241 HydrophobicContact CB-CD1 4.11Å; N239-I241 HydrophobicContact CB-CG1 3.95Å; N239-Y262 PolarHBondContact N-O 3.22Å; N239-N263 WeakPolarHBondContact CA-OD1 3.46Å; N239-N263 WeakPolarHBondContact CB-OD1 2.97Å; N239-N263 PolarHBondContact N-OD1 3.42Å; N239-N263 PolarHBondContact O-OD1 3.16Å
240	R	97.3	Very high	97.2	Very high	138 Å²	138	47 Å²	47	52%	0.521	24%	0.237	S	C	.	.			trans	-120.7	32.7	177	-60.5	-179.8	-175.5	156.8	4.5	110.6	H216 I217 A218 V242 N263	H216-R240 PolarHBondContact CE1-NH2 2.93Å; H216-R240 VanDerWaalsContact CE1-NH2 3.27Å; H216-R240 PolarHBondContact ND1-NH2 2.85Å; I217-R240 CarbonylContact O-C 3.53Å; I217-R240 WeakPolarHBondContact O-CA 3.49Å; I217-R240 PolarHBondContact O-N 3.39Å; A218-R240 WeakPolarHBondContact CA-O 3.35Å; R240-V242 WeakPolarHBondContact O-CG2 3.08Å; R240-V242 PolarHBondContact O-N 3.38Å; R240-V242 VanDerWaalsContact O-N 3.13Å; R240-N263 PolarHBondContact N-OD1 3.38Å
241	I	98	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.			trans	-67.5	115.8	-171.7	-59.1	162.8	0	0	0	108.3	I217 A218 I220 L236 N239 L260 N263 S264 L265	I217-I241 HydrophobicContact CG2-CG1 4.27Å; I217-I241 WeakPolarHBondContact O-CG1 3.46Å; I217-I241 PolarHBondContact O-N 2.96Å; I217-I241 VanDerWaalsContact O-N 3.07Å; A218-I241 WeakPolarHBondContact O-CA 3.34Å; I220-I241 HydrophobicContact CD1-CD1 3.98Å; I220-I241 HydrophobicContact CG1-CD1 4.38Å; I220-I241 HydrophobicContact CG1-CG2 4.37Å; L236-I241 HydrophobicContact CB-CD1 4.13Å; N239-I241 HydrophobicContact CB-CD1 4.11Å; N239-I241 HydrophobicContact CB-CG1 3.95Å; I241-L260 HydrophobicContact CD1-CD2 4.32Å; I241-N263 HydrophobicContact CB-CB 4.3Å; I241-N263 WeakPolarHBondContact CB-OD1 3.29Å; I241-N263 WeakPolarHBondContact CD1-OD1 3Å; I241-N263 VanDerWaalsContact CG1-OD1 3.3Å; I241-N263 WeakPolarHBondContact CG1-OD1 2.98Å; I241-N263 PolarHBondContact N-OD1 3.04Å; I241-S264 CarbonylContact O-C 3.19Å; I241-S264 WeakPolarHBondContact O-CA 3.24Å; I241-S264 PolarHBondContact O-N 3.49Å; I241-L265 HydrophobicContact CB-CD2 4.46Å; I241-L265 HydrophobicContact CG2-CD2 3.74Å; I241-L265 PolarHBondContact O-N 3.13Å; I241-L265 VanDerWaalsContact O-N 3.13Å
242	V	96.3	Very high	96.9	Very high	78 Å²	78	40.4 Å²	40.4	47%	0.473	22%	0.215	S	C	.	.			trans	-99.1	-38.5	177.7	-177.9	0	0	0	0	110.8	A218 R240	A218-V242 PolarHBondContact O-N 3.26Å; R240-V242 WeakPolarHBondContact O-CG2 3.08Å; R240-V242 PolarHBondContact O-N 3.38Å; R240-V242 VanDerWaalsContact O-N 3.13Å
243	S	94.5	Very high	96.7	Very high	61 Å²	61	44.1 Å²	44.1	43%	0.427	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.7	-176.5	67.3	0	0	0	0	112.1	H219 I220	H219-S243 WeakPolarHBondContact CA-O 3.2Å; H219-S243 PolarHBondContact ND1-O 3.34Å; H219-S243 PolarHBondContact ND1-OG 3.4Å; I220-S243 PolarHBondContact N-O 2.8Å
244	M	96.1	Very high	96.6	Very high	33 Å²	33	44.7 Å²	44.7	16%	0.163	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146.4	-177.5	42.4	179.4	-70.5	0	0	109.8	I220 C248 F249 L265 P269 A271	I220-M244 HydrophobicContact CB-CB 4.17Å; I220-M244 WeakPolarHBondContact O-CA 3.37Å; M244-C248 VanDerWaalsContact CE-SG 3.51Å; M244-F249 HydrophobicContact CE-CD2 4.11Å; M244-F249 HydrophobicContact CE-CE2 3.45Å; M244-F249 VanDerWaalsContact CE-CE2 3.45Å; M244-F249 HydrophobicContact CE-CZ 4.16Å; M244-L265 HydrophobicContact CG-CD2 4.33Å; M244-L265 HydrophobicContact SD-CD2 4.14Å; M244-P269 HydrophobicContact CE-CB 3.61Å; M244-P269 HydrophobicContact SD-CB 3.47Å; M244-P269 WeakPolarHBondContact SD-CB 3.09Å; M244-A271 HydrophobicContact CE-CB 3.6Å
245	G	94.4	Very high	96.6	Very high	13 Å²	13	44.8 Å²	44.8	13%	0.134	24%	0.235	C	C	.	.			trans	-68.6	150.9	176.5	0	0	0	0	0	112.5	I220 D222 N247 C248	I220-G245 PolarHBondContact O-N 2.86Å; D222-G245 WeakPolarHBondContact OD1-CA 3.35Å; G245-N247 PolarHBondContact O-N 2.65Å; G245-C248 WeakPolarHBondContact O-CB 3.27Å; G245-C248 PolarHBondContact O-N 3.49Å; G245-C248 PolarHBondContact O-SG 3.25Å
246	N	94.1	Very high	96.6	Very high	110 Å²	110	44.9 Å²	44.9	59%	0.588	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.3	-177.5	-69.2	-18.4	0	0	0	113.4	D222 A271	D222-N246 PolarHBondContact OD1-N 3.3Å; D222-N246 VanDerWaalsContact OD1-N 3.08Å; N246-A271 WeakPolarHBondContact O-CA 3.5Å; N246-A271 WeakPolarHBondContact O-CB 3.34Å
247	N	96.3	Very high	96.6	Very high	73 Å²	73	46.2 Å²	46.2	39%	0.39	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	24.2	-179.8	-61.6	-56.4	0	0	0	111.9	D222 H223 G245 F249 H250	D222-N247 HydrophobicContact CB-CB 4.5Å; D222-N247 WeakPolarHBondContact OD1-CA 3.45Å; D222-N247 PolarHBondContact OD1-N 3.21Å; H223-N247 PolarHBondContact N-O 3.11Å; G245-N247 PolarHBondContact O-N 2.65Å; N247-F249 VanDerWaalsContact C-N 3.31Å; N247-F249 PolarHBondContact O-N 3.2Å; N247-H250 HydrophobicContact CB-CB 4.17Å; N247-H250 VanDerWaalsContact O-CB 3.28Å; N247-H250 WeakPolarHBondContact O-CB 3.41Å; N247-H250 PolarHBondContact O-N 3.45Å
248	C	97	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-35.5	-177.3	62.1	0	0	0	0	114	I220 P221 D222 A224 M244 G245 A271	I220-C248 HydrophobicContact CB-CB 4.28Å; I220-C248 HydrophobicContact CG2-CB 3.66Å; P221-C248 WeakPolarHBondContact O-CA 3.49Å; P221-C248 WeakPolarHBondContact O-CB 3.41Å; D222-C248 PolarHBondContact OD1-N 3.05Å; A224-C248 PolarHBondContact N-O 2.97Å; M244-C248 VanDerWaalsContact CE-SG 3.51Å; G245-C248 WeakPolarHBondContact O-CB 3.27Å; G245-C248 PolarHBondContact O-N 3.49Å; G245-C248 PolarHBondContact O-SG 3.25Å; C248-A271 VanDerWaalsContact SG-CB 3.58Å
249	F	97.3	Very high	96.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	1.5	177.8	-58.6	-51.2	0	0	0	114.3	I220 F225 L234 L236 M244 N247 G251 L252 L258 L260 A271 L275	I220-F249 HydrophobicContact CD1-CE1 4.32Å; I220-F249 HydrophobicContact CD1-CZ 4.2Å; F225-F249 AromaticContact CD2-CD1 3.95Å; F225-F249 HydrophobicContact CD2-CD1 3.95Å; F225-F249 HydrophobicContact CD2-CE1 4.3Å; F225-F249 HydrophobicContact CE2-CD1 4.1Å; F225-F249 AromaticContact CE2-CE1 3.97Å; F225-F249 HydrophobicContact CE2-CE1 3.97Å; L234-F249 HydrophobicContact CD2-CD1 4.42Å; L234-F249 HydrophobicContact CD2-CE1 4.18Å; L236-F249 HydrophobicContact CD1-CE1 4.14Å; L236-F249 HydrophobicContact CD1-CZ 4.46Å; M244-F249 HydrophobicContact CE-CD2 4.11Å; M244-F249 HydrophobicContact CE-CE2 3.45Å; M244-F249 VanDerWaalsContact CE-CE2 3.45Å; M244-F249 HydrophobicContact CE-CZ 4.16Å; N247-F249 VanDerWaalsContact C-N 3.31Å; N247-F249 PolarHBondContact O-N 3.2Å; F249-G251 PolarHBondContact O-N 3.13Å; F249-L252 HydrophobicContact CB-CD1 4.15Å; F249-L252 HydrophobicContact CD1-CD1 3.98Å; F249-L252 HydrophobicContact CG-CD1 4.49Å; F249-L252 WeakPolarHBondContact O-CB 3.44Å; F249-L252 WeakPolarHBondContact O-CG 3.17Å; F249-L252 PolarHBondContact O-N 3.45Å; F249-L258 HydrophobicContact CD2-CD2 4.26Å; F249-L258 HydrophobicContact CE1-CD1 4.23Å; F249-L258 HydrophobicContact CE2-CD2 3.83Å; F249-L258 HydrophobicContact CZ-CD1 4.17Å; F249-L258 HydrophobicContact CZ-CD2 4.03Å; F249-L260 HydrophobicContact CE2-CD1 4.46Å; F249-L260 HydrophobicContact CZ-CD1 4.38Å; F249-L260 HydrophobicContact CZ-CD2 4.3Å; F249-A271 HydrophobicContact CD2-CB 3.91Å; F249-A271 HydrophobicContact CE2-CB 4.5Å; F249-L275 HydrophobicContact CB-CD1 4.29Å; F249-L275 HydrophobicContact CB-CD2 4.09Å; F249-L275 HydrophobicContact CB-CG 4.37Å; F249-L275 HydrophobicContact CD2-CD1 4.37Å; F249-L275 HydrophobicContact CG-CD1 4.46Å
250	H	95.4	Very high	96.6	Very high	87 Å²	87	42.8 Å²	42.8	40%	0.403	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	127.2	179.7	-176.9	-74.4	0	0	0	110.9	S226 N247	S226-H250 VanDerWaalsContact CA-O 3.25Å; S226-H250 WeakPolarHBondContact CA-O 3.34Å; N247-H250 HydrophobicContact CB-CB 4.17Å; N247-H250 VanDerWaalsContact O-CB 3.28Å; N247-H250 WeakPolarHBondContact O-CB 3.41Å; N247-H250 PolarHBondContact O-N 3.45Å
251	G	93.3	Very high	96.6	Very high	7 Å²	7	36.9 Å²	36.9	7%	0.072	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	108	-11.1	-178.1	0	0	0	0	0	114.3	G229 F249 H253	G229-G251 WeakPolarHBondContact CA-O 3.4Å; F249-G251 PolarHBondContact O-N 3.13Å; G251-H253 VanDerWaalsContact C-N 3.27Å; G251-H253 PolarHBondContact O-CE1 3.36Å; G251-H253 PolarHBondContact O-N 3.18Å; G251-H253 PolarHBondContact O-ND1 3.21Å
252	L	96.6	Very high	96.6	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	23%	0.225	C	C	.	.			trans	-82.4	63.1	175.3	-65.6	-178.6	0	0	0	112	F225 L228 L231 L234 F249 S254 L255 L275	F225-L252 HydrophobicContact CB-CD1 3.9Å; F225-L252 HydrophobicContact CB-CD2 3.7Å; F225-L252 HydrophobicContact CB-CG 3.85Å; F225-L252 HydrophobicContact CD2-CD1 4.23Å; F225-L252 HydrophobicContact CG-CD1 4.29Å; L228-L252 HydrophobicContact CB-CD2 3.8Å; L228-L252 WeakPolarHBondContact O-CD2 3.07Å; L231-L252 HydrophobicContact CB-CD2 3.95Å; L231-L252 HydrophobicContact CD2-CD2 3.82Å; L234-L252 HydrophobicContact CD2-CD1 4.04Å; F249-L252 HydrophobicContact CB-CD1 4.15Å; F249-L252 HydrophobicContact CD1-CD1 3.98Å; F249-L252 HydrophobicContact CG-CD1 4.49Å; F249-L252 WeakPolarHBondContact O-CB 3.44Å; F249-L252 WeakPolarHBondContact O-CG 3.17Å; F249-L252 PolarHBondContact O-N 3.45Å; L252-S254 VanDerWaalsContact C-N 3.28Å; L252-S254 PolarHBondContact O-N 2.89Å; L252-L255 HydrophobicContact CB-CB 4.1Å; L252-L255 HydrophobicContact CD1-CD1 4.47Å; L252-L255 HydrophobicContact CD1-CD2 4.02Å; L252-L255 PolarHBondContact O-N 3.11Å; L252-L275 HydrophobicContact CB-CD2 3.79Å
253	H	93.8	Very high	96.7	Very high	122 Å²	122	39 Å²	39	57%	0.565	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.6	-172.1	-52.1	93.2	0	0	0	114.5	G251 H277	G251-H253 VanDerWaalsContact C-N 3.27Å; G251-H253 PolarHBondContact O-CE1 3.36Å; G251-H253 PolarHBondContact O-N 3.18Å; G251-H253 PolarHBondContact O-ND1 3.21Å; H253-H277 PolarHBondContact O-CD2 3.2Å
254	S	97.1	Very high	96.9	Very high	51 Å²	51	38.6 Å²	38.6	36%	0.357	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	8.7	-178.2	-61.9	0	0	0	0	113.7	G229 L231 V232 L252 E256	G229-S254 PolarHBondContact O-OG 2.92Å; L231-S254 CarbonylContact O-C 3.06Å; V232-S254 WeakPolarHBondContact CA-O 3.34Å; L252-S254 VanDerWaalsContact C-N 3.28Å; L252-S254 PolarHBondContact O-N 2.89Å; S254-E256 PolarHBondContact O-N 3.12Å
255	L	98.3	Very high	96.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.195	C	C	.	.			trans	-71.2	124.9	-173.7	-158.6	77.8	0	0	0	110.7	L231 L234 L252 L258 L275 H277 L278	L231-L255 HydrophobicContact CB-CD1 4.37Å; L231-L255 HydrophobicContact CD2-CD1 4.05Å; L231-L255 HydrophobicContact CG-CD1 4.09Å; L231-L255 VanDerWaalsContact O-CA 3.26Å; L231-L255 WeakPolarHBondContact O-CA 3.43Å; L231-L255 PolarHBondContact O-N 3.24Å; L231-L255 VanDerWaalsContact O-N 3.08Å; L234-L255 HydrophobicContact CB-CD1 3.81Å; L234-L255 HydrophobicContact CB-CD2 4.49Å; L252-L255 HydrophobicContact CB-CB 4.1Å; L252-L255 HydrophobicContact CD1-CD1 4.47Å; L252-L255 HydrophobicContact CD1-CD2 4.02Å; L252-L255 PolarHBondContact O-N 3.11Å; L255-L258 HydrophobicContact CD2-CB 4.05Å; L255-L258 HydrophobicContact CD2-CD1 4.38Å; L255-L275 HydrophobicContact CB-CD2 4.2Å; L255-L275 HydrophobicContact CD2-CD1 3.94Å; L255-L275 HydrophobicContact CD2-CD2 4.06Å; L255-H277 CarbonylContact O-C 3.12Å; L255-H277 VanDerWaalsContact O-C 3.23Å; L255-L278 HydrophobicContact CD2-CD1 4.4Å; L255-L278 WeakPolarHBondContact O-CA 3.46Å; L255-L278 PolarHBondContact O-N 3.43Å
256	E	98.3	Very high	97	Very high	66 Å²	66	39.8 Å²	39.8	31%	0.308	21%	0.209	S	C	.	.			trans	-109.7	-35.1	178.5	-62.6	-167.8	171.9	0	0	111.6	V232 S254 K279 E280	V232-E256 HydrophobicContact CG1-CB 3.93Å; V232-E256 HydrophobicContact CG1-CG 3.93Å; V232-E256 PolarHBondContact O-N 3.37Å; S254-E256 PolarHBondContact O-N 3.12Å; E256-K279 HydrophobicContact CB-CD 4.36Å; E256-K279 HydrophobicContact CB-CG 4.46Å; E256-K279 HydrophobicContact CG-CD 4.43Å; E256-K279 PolarHBondContact O-N 3.45Å; E256-K279 IonicContact OE1-NZ 3.55Å; E256-K279 PolarHBondContact OE1-NZ 3.06Å; E256-K279 WeakPolarHBondContact OE2-CE 3.45Å; E256-K279 IonicContact OE2-NZ 3.68Å; E256-K279 PolarHBondContact OE2-NZ 3.5Å; E256-E280 PolarHBondContact O-N 3.05Å
257	T	98.6	Very high	97	Very high	28 Å²	28	42 Å²	42	17%	0.172	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	-179	-56.7	0	0	0	0	110.7	V232 V233 L234 E280	V232-T257 PolarHBondContact O-N 3.46Å; V233-T257 HydrophobicContact CG1-CG2 4.5Å; L234-T257 PolarHBondContact N-O 3.02Å; T257-E280 HydrophobicContact CG2-CB 4.07Å; T257-E280 WeakPolarHBondContact CG2-OE2 3.32Å; T257-E280 PolarHBondContact OG1-OE2 3.05Å
258	L	98.6	Very high	97	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.3	173.5	177.9	61	0	0	0	110.1	L234 L236 F249 L255 L260 I272 L275 L278 E280 L281 G282	L234-L258 HydrophobicContact CB-CD1 4.26Å; L234-L258 HydrophobicContact CD2-CD1 4.04Å; L234-L258 HydrophobicContact CG-CD1 4.15Å; L236-L258 HydrophobicContact CD1-CD1 4.48Å; F249-L258 HydrophobicContact CD2-CD2 4.26Å; F249-L258 HydrophobicContact CE1-CD1 4.23Å; F249-L258 HydrophobicContact CE2-CD2 3.83Å; F249-L258 HydrophobicContact CZ-CD1 4.17Å; F249-L258 HydrophobicContact CZ-CD2 4.03Å; L255-L258 HydrophobicContact CD2-CB 4.05Å; L255-L258 HydrophobicContact CD2-CD1 4.38Å; L258-L260 HydrophobicContact CD1-CG 4.3Å; L258-L260 HydrophobicContact CD2-CD1 4.06Å; L258-L260 HydrophobicContact CD2-CG 4.49Å; L258-L260 HydrophobicContact CG-CD1 4.27Å; L258-L260 HydrophobicContact CG-CG 4.18Å; L258-I272 HydrophobicContact CD2-CG2 4.13Å; L258-L275 HydrophobicContact CD2-CD1 3.89Å; L258-L278 HydrophobicContact CB-CD1 3.8Å; L258-E280 PolarHBondContact N-O 2.73Å; L258-L281 HydrophobicContact CB-CD1 4.24Å; L258-L281 HydrophobicContact CD2-CD1 4.05Å; L258-L281 HydrophobicContact CG-CD1 4.23Å; L258-G282 PolarHBondContact O-N 3.04Å
259	D	98.6	Very high	96.9	Very high	27 Å²	27	39.5 Å²	39.5	14%	0.144	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.5	177.7	-173.5	-4.7	0	0	0	111.2	L234 H235 L236 N237 N261	L234-D259 PolarHBondContact O-N 3.3Å; H235-D259 HydrophobicContact CB-CB 4.47Å; L236-D259 CarbonylContact C-O 3.45Å; L236-D259 WeakPolarHBondContact CA-O 3.32Å; L236-D259 WeakPolarHBondContact CB-O 3.35Å; L236-D259 PolarHBondContact N-O 3.05Å; N237-D259 WeakPolarHBondContact CB-OD1 3.47Å; N237-D259 VanDerWaalsContact CG-OD2 3.31Å; N237-D259 PolarHBondContact N-O 3.3Å; D259-N261 WeakPolarHBondContact OD1-CB 3.32Å; D259-N261 PolarHBondContact OD1-N 2.98Å; D259-N261 PolarHBondContact OD1-ND2 3.09Å
260	L	98.3	Very high	96.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.			trans	-114.9	16.4	174.4	-63.9	166.7	0	0	0	112	L236 I241 F249 L258 N263 L265 P269 G282 F283 N286	L236-L260 HydrophobicContact CB-CD2 3.93Å; L236-L260 HydrophobicContact CD1-CD2 3.9Å; I241-L260 HydrophobicContact CD1-CD2 4.32Å; F249-L260 HydrophobicContact CE2-CD1 4.46Å; F249-L260 HydrophobicContact CZ-CD1 4.38Å; F249-L260 HydrophobicContact CZ-CD2 4.3Å; L258-L260 HydrophobicContact CD1-CG 4.3Å; L258-L260 HydrophobicContact CD2-CD1 4.06Å; L258-L260 HydrophobicContact CD2-CG 4.49Å; L258-L260 HydrophobicContact CG-CD1 4.27Å; L258-L260 HydrophobicContact CG-CG 4.18Å; L260-N263 PolarHBondContact O-ND2 3.04Å; L260-L265 HydrophobicContact CB-CD1 4.33Å; L260-L265 HydrophobicContact CD1-CD1 4.44Å; L260-P269 HydrophobicContact CD1-CB 4.42Å; L260-G282 WeakPolarHBondContact CA-O 3.44Å; L260-G282 WeakPolarHBondContact CB-O 3.48Å; L260-G282 PolarHBondContact N-O 2.85Å; L260-F283 HydrophobicContact CB-CB 4.24Å; L260-N286 PolarHBondContact O-ND2 3.45Å
261	N	98.3	Very high	96.8	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.07	20%	0.204	C	C	.	.			trans	-62	155	-176.7	-61.8	-34.5	0	0	0	112.3	N237 N238 D259 N263 G282 F283 H284	N237-N261 CarbonylContact C-O 3.56Å; N237-N261 WeakPolarHBondContact CA-O 3.44Å; N237-N261 HydrophobicContact CB-CB 4.13Å; N237-N261 VanDerWaalsContact CB-O 3.25Å; N237-N261 WeakPolarHBondContact CB-O 3.29Å; N238-N261 PolarHBondContact N-O 3.47Å; D259-N261 WeakPolarHBondContact OD1-CB 3.32Å; D259-N261 PolarHBondContact OD1-N 2.98Å; D259-N261 PolarHBondContact OD1-ND2 3.09Å; N261-N263 PolarHBondContact O-N 3.45Å; N261-N263 PolarHBondContact O-ND2 3.35Å; N261-G282 WeakPolarHBondContact OD1-CA 3.38Å; N261-F283 WeakPolarHBondContact OD1-CA 3.21Å; N261-F283 PolarHBondContact OD1-N 2.87Å; N261-H284 WeakPolarHBondContact CA-O 3.33Å; N261-H284 PolarHBondContact ND2-CD2 3.5Å; N261-H284 VanDerWaalsContact ND2-CD2 3.31Å; N261-H284 PolarHBondContact ND2-NE2 2.93Å; N261-H284 PolarHBondContact OD1-CD2 3.49Å; N261-H284 PolarHBondContact OD1-N 3.05Å
262	Y	98.3	Very high	97	Very high	113 Å²	113	38.5 Å²	38.5	44%	0.443	20%	0.2	S	C	.	.	S	Bend	trans	52.2	57.3	178	-58.6	-76.8	0	0	0	112.7	N238 N239 H284 S285	N238-Y262 VanDerWaalsContact CA-O 3.23Å; N238-Y262 WeakPolarHBondContact CA-O 3.12Å; N238-Y262 PolarHBondContact N-O 3.42Å; N238-Y262 VanDerWaalsContact OD1-CB 3.24Å; N238-Y262 WeakPolarHBondContact OD1-CB 3.44Å; N239-Y262 PolarHBondContact N-O 3.22Å; Y262-H284 AromaticContact CD2-CE1 3.94Å; Y262-H284 AromaticContact CE2-CE1 3.31Å; Y262-H284 WeakPolarHBondContact CE2-CE1 3.35Å; Y262-H284 AromaticContact CZ-CE1 3.54Å; Y262-H284 PolarHBondContact N-O 3.46Å; Y262-S285 WeakPolarHBondContact CA-O 3.39Å; Y262-S285 WeakPolarHBondContact CE1-OG 3.12Å
263	N	98.4	Very high	96.9	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.059	22%	0.223	C	C	.	.	S	Bend	trans	-125.9	-166.2	175.4	-88.3	-73.9	0	0	0	109.7	L236 N239 R240 I241 L260 N261 L265 S285 N286	L236-N263 PolarHBondContact O-ND2 3.35Å; N239-N263 WeakPolarHBondContact CA-OD1 3.46Å; N239-N263 WeakPolarHBondContact CB-OD1 2.97Å; N239-N263 PolarHBondContact N-OD1 3.42Å; N239-N263 PolarHBondContact O-OD1 3.16Å; R240-N263 PolarHBondContact N-OD1 3.38Å; I241-N263 HydrophobicContact CB-CB 4.3Å; I241-N263 WeakPolarHBondContact CB-OD1 3.29Å; I241-N263 WeakPolarHBondContact CD1-OD1 3Å; I241-N263 VanDerWaalsContact CG1-OD1 3.3Å; I241-N263 WeakPolarHBondContact CG1-OD1 2.98Å; I241-N263 PolarHBondContact N-OD1 3.04Å; L260-N263 PolarHBondContact O-ND2 3.04Å; N261-N263 PolarHBondContact O-N 3.45Å; N261-N263 PolarHBondContact O-ND2 3.35Å; N263-L265 HydrophobicContact CB-CG 4.47Å; N263-S285 PolarHBondContact N-O 2.9Å; N263-N286 VanDerWaalsContact CA-OD1 3.29Å; N263-N286 WeakPolarHBondContact CA-OD1 3.12Å; N263-N286 WeakPolarHBondContact CB-OD1 3.47Å; N263-N286 PolarHBondContact O-OD1 3.03Å
264	S	97.8	Very high	97	Very high	51 Å²	51	41 Å²	41	36%	0.357	21%	0.212	S	C	.	.			trans	-123.4	33	-179.1	-56.9	0	0	0	0	111.6	I241 V266 N286	I241-S264 CarbonylContact O-C 3.19Å; I241-S264 WeakPolarHBondContact O-CA 3.24Å; I241-S264 PolarHBondContact O-N 3.49Å; S264-V266 PolarHBondContact O-N 3.2Å; S264-N286 PolarHBondContact N-OD1 3.12Å
265	L	97.3	Very high	97	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.196	C	C	.	.			trans	-64.2	127.8	-180	-66.4	171.7	0	0	0	109.7	I241 M244 L260 N263 N286 S287 I288	I241-L265 HydrophobicContact CB-CD2 4.46Å; I241-L265 HydrophobicContact CG2-CD2 3.74Å; I241-L265 PolarHBondContact O-N 3.13Å; I241-L265 VanDerWaalsContact O-N 3.13Å; M244-L265 HydrophobicContact CG-CD2 4.33Å; M244-L265 HydrophobicContact SD-CD2 4.14Å; L260-L265 HydrophobicContact CB-CD1 4.33Å; L260-L265 HydrophobicContact CD1-CD1 4.44Å; N263-L265 HydrophobicContact CB-CG 4.47Å; L265-N286 HydrophobicContact CB-CB 4.21Å; L265-N286 VanDerWaalsContact CB-OD1 3.3Å; L265-N286 WeakPolarHBondContact CB-OD1 3.26Å; L265-N286 WeakPolarHBondContact CG-OD1 3.39Å; L265-N286 PolarHBondContact N-OD1 2.89Å; L265-S287 CarbonylContact O-C 3.12Å; L265-S287 WeakPolarHBondContact O-CA 3.36Å; L265-S287 WeakPolarHBondContact O-CB 3.48Å; L265-S287 PolarHBondContact O-N 2.97Å; L265-I288 HydrophobicContact CB-CD1 4.1Å; L265-I288 HydrophobicContact CB-CG1 4.01Å; L265-I288 HydrophobicContact CD1-CD1 4.48Å; L265-I288 PolarHBondContact O-N 3.37Å
266	V	94.6	Very high	96.8	Very high	70 Å²	70	41.3 Å²	41.3	42%	0.424	21%	0.214	S	C	.	.			trans	-95.9	-31.5	177.4	-177.5	0	0	0	0	111.4	S264	S264-V266 PolarHBondContact O-N 3.2Å
267	E	94.8	Very high	96.7	Very high	157 Å²	157	43 Å²	43	73%	0.734	22%	0.222	S	C	*	.	S	Bend	trans	-115.2	152.6	-177.7	-65	-175.6	178.1	0	0	111.1
268	F	96.3	Very high	96.7	Very high	17 Å²	17	41.6 Å²	41.6	8%	0.075	21%	0.214	C	C	.	.			trans	-59.6	133.7	174.6	178.3	-93.4	0	0	0	111.3	T270 I272 F283 I291 P292 A295 F296	F268-T270 VanDerWaalsContact C-N 3.35Å; F268-T270 HydrophobicContact CD1-CG2 4.18Å; F268-T270 PolarHBondContact O-N 3.41Å; F268-I272 HydrophobicContact CE1-CD1 4.05Å; F268-I272 HydrophobicContact CE1-CG1 4.43Å; F268-I272 HydrophobicContact CE2-CD1 4.44Å; F268-I272 HydrophobicContact CZ-CD1 3.57Å; F268-I272 HydrophobicContact CZ-CG1 4.41Å; F268-F283 HydrophobicContact CD2-CZ 4.48Å; F268-F283 HydrophobicContact CE2-CZ 4.11Å; F268-I291 HydrophobicContact CD2-CG2 4.48Å; F268-I291 HydrophobicContact CE2-CG2 4.37Å; F268-P292 HydrophobicContact CB-CG 4.17Å; F268-P292 HydrophobicContact CD1-CG 3.62Å; F268-P292 HydrophobicContact CE1-CG 4.18Å; F268-P292 VanDerWaalsContact CG-CD 3.43Å; F268-P292 HydrophobicContact CG-CG 3.92Å; F268-A295 HydrophobicContact CE1-CB 3.93Å; F268-A295 HydrophobicContact CE2-CB 4.08Å; F268-A295 HydrophobicContact CZ-CB 3.56Å; F268-F296 AromaticContact CE2-CE1 3.8Å; F268-F296 HydrophobicContact CE2-CE1 3.8Å; F268-F296 AromaticContact CE2-CZ 3.69Å; F268-F296 HydrophobicContact CE2-CZ 3.69Å; F268-F296 HydrophobicContact CZ-CD1 4.26Å; F268-F296 AromaticContact CZ-CE1 3.73Å; F268-F296 HydrophobicContact CZ-CE1 3.73Å; F268-F296 AromaticContact CZ-CZ 3.99Å; F268-F296 HydrophobicContact CZ-CZ 3.99Å
269	P	95.8	Very high	96.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.013	23%	0.228	C	C	.	.			trans	-73.5	79.6	-175.7	31.1	-37.8	0	0	0	112.3	M244 L260 A271 I272	M244-P269 HydrophobicContact CE-CB 3.61Å; M244-P269 HydrophobicContact SD-CB 3.47Å; M244-P269 WeakPolarHBondContact SD-CB 3.09Å; L260-P269 HydrophobicContact CD1-CB 4.42Å; P269-A271 PolarHBondContact O-N 3.12Å; P269-I272 HydrophobicContact CB-CG2 4.24Å; P269-I272 HydrophobicContact CG-CG2 4.21Å; P269-I272 WeakPolarHBondContact O-CG1 3.49Å; P269-I272 WeakPolarHBondContact O-CG2 3.19Å; P269-I272 PolarHBondContact O-N 3.41Å; P269-I272 VanDerWaalsContact O-N 3.15Å
270	T	95.1	Very high	96.6	Very high	71 Å²	71	48.1 Å²	48.1	44%	0.436	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-58.8	-21.8	-176.4	60.3	0	0	0	0	114.6	F268 I272 R273	F268-T270 VanDerWaalsContact C-N 3.35Å; F268-T270 HydrophobicContact CD1-CG2 4.18Å; F268-T270 PolarHBondContact O-N 3.41Å; T270-I272 PolarHBondContact O-N 3.42Å; T270-R273 WeakPolarHBondContact O-CB 3.23Å; T270-R273 PolarHBondContact O-N 3.07Å
271	A	96	Very high	96.6	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.5	-20.8	177.8	0	0	0	0	0	114.1	M244 N246 C248 F249 P269 R273 S274	M244-A271 HydrophobicContact CE-CB 3.6Å; N246-A271 WeakPolarHBondContact O-CA 3.5Å; N246-A271 WeakPolarHBondContact O-CB 3.34Å; C248-A271 VanDerWaalsContact SG-CB 3.58Å; F249-A271 HydrophobicContact CD2-CB 3.91Å; F249-A271 HydrophobicContact CE2-CB 4.5Å; P269-A271 PolarHBondContact O-N 3.12Å; A271-R273 PolarHBondContact O-N 3.5Å; A271-R273 VanDerWaalsContact O-N 3.1Å; A271-S274 PolarHBondContact O-N 3.39Å; A271-S274 PolarHBondContact O-OG 2.98Å
272	I	96.8	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.6	-20.3	177	69.6	176.1	0	0	0	112.5	L258 F268 P269 T270 S274 L275 L281 F296 N299	L258-I272 HydrophobicContact CD2-CG2 4.13Å; F268-I272 HydrophobicContact CE1-CD1 4.05Å; F268-I272 HydrophobicContact CE1-CG1 4.43Å; F268-I272 HydrophobicContact CE2-CD1 4.44Å; F268-I272 HydrophobicContact CZ-CD1 3.57Å; F268-I272 HydrophobicContact CZ-CG1 4.41Å; P269-I272 HydrophobicContact CB-CG2 4.24Å; P269-I272 HydrophobicContact CG-CG2 4.21Å; P269-I272 WeakPolarHBondContact O-CG1 3.49Å; P269-I272 WeakPolarHBondContact O-CG2 3.19Å; P269-I272 PolarHBondContact O-N 3.41Å; P269-I272 VanDerWaalsContact O-N 3.15Å; T270-I272 PolarHBondContact O-N 3.42Å; I272-S274 PolarHBondContact O-N 3.3Å; I272-L275 HydrophobicContact CB-CD1 4.38Å; I272-L275 HydrophobicContact CG2-CD1 4.47Å; I272-L275 WeakPolarHBondContact O-CB 3.27Å; I272-L275 PolarHBondContact O-N 3.43Å; I272-L281 HydrophobicContact CD1-CD2 3.6Å; I272-L281 HydrophobicContact CG2-CD1 4.43Å; I272-F296 HydrophobicContact CD1-CD1 3.88Å; I272-F296 HydrophobicContact CD1-CE1 3.93Å; I272-N299 PolarHBondContact O-ND2 3.39Å
273	R	95.1	Very high	96.6	Very high	128 Å²	128	42.5 Å²	42.5	48%	0.483	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-53	-26.1	178.1	-177.9	179.4	-66.3	-72.4	-7.7	113.3	T270 A271 L275 R294 T297	T270-R273 WeakPolarHBondContact O-CB 3.23Å; T270-R273 PolarHBondContact O-N 3.07Å; A271-R273 PolarHBondContact O-N 3.5Å; A271-R273 VanDerWaalsContact O-N 3.1Å; R273-L275 VanDerWaalsContact C-N 3.33Å; R273-R294 PolarHBondContact NH2-O 3Å; R273-T297 PolarHBondContact NH1-OG1 2.79Å
274	S	94.8	Very high	96.5	Very high	50 Å²	50	42.5 Å²	42.5	35%	0.35	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-78.5	-11.2	178.5	61.9	0	0	0	0	114.7	A271 I272 S276	A271-S274 PolarHBondContact O-N 3.39Å; A271-S274 PolarHBondContact O-OG 2.98Å; I272-S274 PolarHBondContact O-N 3.3Å; S274-S276 PolarHBondContact O-N 3.24Å
275	L	96.6	Very high	96.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.			trans	-97.3	78.1	-170.6	-56.4	174.4	0	0	0	111.9	F249 L252 L255 L258 I272 R273 H277 L278 N299	F249-L275 HydrophobicContact CB-CD1 4.29Å; F249-L275 HydrophobicContact CB-CD2 4.09Å; F249-L275 HydrophobicContact CB-CG 4.37Å; F249-L275 HydrophobicContact CD2-CD1 4.37Å; F249-L275 HydrophobicContact CG-CD1 4.46Å; L252-L275 HydrophobicContact CB-CD2 3.79Å; L255-L275 HydrophobicContact CB-CD2 4.2Å; L255-L275 HydrophobicContact CD2-CD1 3.94Å; L255-L275 HydrophobicContact CD2-CD2 4.06Å; L258-L275 HydrophobicContact CD2-CD1 3.89Å; I272-L275 HydrophobicContact CB-CD1 4.38Å; I272-L275 HydrophobicContact CG2-CD1 4.47Å; I272-L275 WeakPolarHBondContact O-CB 3.27Å; I272-L275 PolarHBondContact O-N 3.43Å; R273-L275 VanDerWaalsContact C-N 3.33Å; L275-H277 VanDerWaalsContact C-N 3.3Å; L275-H277 PolarHBondContact O-N 3.47Å; L275-L278 HydrophobicContact CB-CB 4.05Å; L275-L278 HydrophobicContact CB-CD2 4.4Å; L275-L278 HydrophobicContact CD1-CD1 4.37Å; L275-L278 HydrophobicContact CD1-CD2 4.25Å; L275-L278 WeakPolarHBondContact O-CB 3.41Å; L275-L278 PolarHBondContact O-N 3.44Å; L275-N299 PolarHBondContact O-ND2 3.13Å
276	S	94.9	Very high	96.5	Very high	57 Å²	57	41.3 Å²	41.3	40%	0.399	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.4	-173.4	58.5	0	0	0	0	115.7	S274 G298	S274-S276 PolarHBondContact O-N 3.24Å; S276-G298 WeakPolarHBondContact CA-O 3.27Å
277	H	96.3	Very high	96.6	Very high	101 Å²	101	40.8 Å²	40.8	47%	0.468	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	7.4	-178.8	-69.5	-76.5	0	0	0	113.6	H253 L255 L275 K279	H253-H277 PolarHBondContact O-CD2 3.2Å; L255-H277 CarbonylContact O-C 3.12Å; L255-H277 VanDerWaalsContact O-C 3.23Å; L275-H277 VanDerWaalsContact C-N 3.3Å; L275-H277 PolarHBondContact O-N 3.47Å; H277-K279 PolarHBondContact O-N 3.37Å
278	L	97.9	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.			trans	-64.9	126.3	-178.2	-164.1	69.5	0	0	0	110.5	L255 L258 L275 L281 S301 L302	L255-L278 HydrophobicContact CD2-CD1 4.4Å; L255-L278 WeakPolarHBondContact O-CA 3.46Å; L255-L278 PolarHBondContact O-N 3.43Å; L258-L278 HydrophobicContact CB-CD1 3.8Å; L275-L278 HydrophobicContact CB-CB 4.05Å; L275-L278 HydrophobicContact CB-CD2 4.4Å; L275-L278 HydrophobicContact CD1-CD1 4.37Å; L275-L278 HydrophobicContact CD1-CD2 4.25Å; L275-L278 WeakPolarHBondContact O-CB 3.41Å; L275-L278 PolarHBondContact O-N 3.44Å; L278-L281 HydrophobicContact CD2-CB 3.98Å; L278-L281 HydrophobicContact CD2-CD1 4.26Å; L278-L281 HydrophobicContact CD2-CD2 4.17Å; L278-L281 HydrophobicContact CD2-CG 4.36Å; L278-S301 CarbonylContact O-C 3.1Å; L278-S301 VanDerWaalsContact O-C 3.26Å; L278-L302 HydrophobicContact CB-CD2 4.38Å; L278-L302 HydrophobicContact CD2-CD2 4.1Å; L278-L302 HydrophobicContact CG-CD2 3.99Å; L278-L302 PolarHBondContact O-N 3.29Å
279	K	97.7	Very high	96.6	Very high	69 Å²	69	37.1 Å²	37.1	30%	0.3	20%	0.195	S	C	.	.			trans	-110.2	-36.9	178.7	-64.7	178.9	-172.2	160.7	0	112	E256 H277 S301 I303 S304	E256-K279 HydrophobicContact CB-CD 4.36Å; E256-K279 HydrophobicContact CB-CG 4.46Å; E256-K279 HydrophobicContact CG-CD 4.43Å; E256-K279 PolarHBondContact O-N 3.45Å; E256-K279 IonicContact OE1-NZ 3.55Å; E256-K279 PolarHBondContact OE1-NZ 3.06Å; E256-K279 WeakPolarHBondContact OE2-CE 3.45Å; E256-K279 IonicContact OE2-NZ 3.68Å; E256-K279 PolarHBondContact OE2-NZ 3.5Å; H277-K279 PolarHBondContact O-N 3.37Å; K279-S301 WeakPolarHBondContact CA-O 3.39Å; K279-I303 HydrophobicContact CB-CD1 4.21Å; K279-I303 HydrophobicContact CB-CG1 4.42Å; K279-I303 HydrophobicContact CD-CD1 4.25Å; K279-I303 HydrophobicContact CG-CD1 4.33Å; K279-I303 PolarHBondContact O-N 3.49Å; K279-S304 PolarHBondContact O-N 3.43Å; K279-S304 VanDerWaalsContact O-N 3.12Å
280	E	98.1	Very high	96.5	Very high	95 Å²	95	39.6 Å²	39.6	44%	0.444	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.2	-177	-63.3	177.9	170.6	0	0	109.8	E256 T257 L258 S304	E256-E280 PolarHBondContact O-N 3.05Å; T257-E280 HydrophobicContact CG2-CB 4.07Å; T257-E280 WeakPolarHBondContact CG2-OE2 3.32Å; T257-E280 PolarHBondContact OG1-OE2 3.05Å; L258-E280 PolarHBondContact N-O 2.73Å; E280-S304 WeakPolarHBondContact CA-O 3.39Å
281	L	98.2	Very high	96.6	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	115.9	178.7	176.5	57.9	0	0	0	110.2	L258 I272 L278 F283 F296 L302 S304 L305 L306	L258-L281 HydrophobicContact CB-CD1 4.24Å; L258-L281 HydrophobicContact CD2-CD1 4.05Å; L258-L281 HydrophobicContact CG-CD1 4.23Å; I272-L281 HydrophobicContact CD1-CD2 3.6Å; I272-L281 HydrophobicContact CG2-CD1 4.43Å; L278-L281 HydrophobicContact CD2-CB 3.98Å; L278-L281 HydrophobicContact CD2-CD1 4.26Å; L278-L281 HydrophobicContact CD2-CD2 4.17Å; L278-L281 HydrophobicContact CD2-CG 4.36Å; L281-F283 HydrophobicContact CD1-CD1 4.1Å; L281-F283 HydrophobicContact CD2-CD1 4.07Å; L281-F283 HydrophobicContact CD2-CE1 3.76Å; L281-F283 HydrophobicContact CG-CD1 3.76Å; L281-F283 HydrophobicContact CG-CE1 3.88Å; L281-F296 HydrophobicContact CD2-CD1 4.39Å; L281-F296 HydrophobicContact CD2-CE1 3.93Å; L281-L302 HydrophobicContact CB-CD2 3.91Å; L281-S304 PolarHBondContact N-O 2.94Å; L281-L305 HydrophobicContact CB-CD1 4.13Å; L281-L305 HydrophobicContact CD2-CD1 3.99Å; L281-L305 HydrophobicContact CG-CD1 4.09Å; L281-L305 WeakPolarHBondContact O-CA 3.5Å; L281-L306 PolarHBondContact O-N 3.38Å
282	G	97.9	Very high	96.5	Very high	6 Å²	6	38.6 Å²	38.6	6%	0.062	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.2	171.3	0	0	0	0	0	111.5	L258 L260 N261	L258-G282 PolarHBondContact O-N 3.04Å; L260-G282 WeakPolarHBondContact CA-O 3.44Å; L260-G282 WeakPolarHBondContact CB-O 3.48Å; L260-G282 PolarHBondContact N-O 2.85Å; N261-G282 WeakPolarHBondContact OD1-CA 3.38Å
283	F	97.6	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.			trans	-144.2	30.9	163.8	55.2	-90.2	0	0	0	111.4	L260 N261 F268 L281 N286 I288 F296 L305 L306 F307 N310	L260-F283 HydrophobicContact CB-CB 4.24Å; N261-F283 WeakPolarHBondContact OD1-CA 3.21Å; N261-F283 PolarHBondContact OD1-N 2.87Å; F268-F283 HydrophobicContact CD2-CZ 4.48Å; F268-F283 HydrophobicContact CE2-CZ 4.11Å; L281-F283 HydrophobicContact CD1-CD1 4.1Å; L281-F283 HydrophobicContact CD2-CD1 4.07Å; L281-F283 HydrophobicContact CD2-CE1 3.76Å; L281-F283 HydrophobicContact CG-CD1 3.76Å; L281-F283 HydrophobicContact CG-CE1 3.88Å; F283-N286 PolarHBondContact O-ND2 3.4Å; F283-I288 HydrophobicContact CD2-CD1 3.6Å; F283-I288 HydrophobicContact CE2-CD1 4.16Å; F283-I288 HydrophobicContact CG-CD1 4.38Å; F283-F296 HydrophobicContact CE1-CE1 4.35Å; F283-F296 HydrophobicContact CE1-CZ 4.46Å; F283-F296 HydrophobicContact CZ-CZ 4.21Å; F283-L305 HydrophobicContact CE1-CD1 3.59Å; F283-L305 HydrophobicContact CZ-CD1 4.13Å; F283-L306 PolarHBondContact N-O 2.89Å; F283-F307 HydrophobicContact CD2-CB 3.59Å; F283-F307 HydrophobicContact CE1-CB 4.22Å; F283-F307 HydrophobicContact CE2-CB 3.13Å; F283-F307 HydrophobicContact CE2-CD1 4.48Å; F283-F307 HydrophobicContact CE2-CG 4.04Å; F283-F307 HydrophobicContact CG-CB 4.33Å; F283-F307 HydrophobicContact CZ-CB 3.48Å; F283-F307 VanDerWaalsContact CZ-CB 3.48Å; F283-F307 HydrophobicContact CZ-CD1 4.07Å; F283-F307 HydrophobicContact CZ-CG 4.09Å; F283-N310 PolarHBondContact O-ND2 3.03Å
284	H	96.7	Very high	96.4	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.046	23%	0.233	C	C	.	.			trans	-68.1	162.8	176.7	75.8	77.5	0	0	0	111.3	N261 Y262 N286 L306 Y308	N261-H284 WeakPolarHBondContact CA-O 3.33Å; N261-H284 PolarHBondContact ND2-CD2 3.5Å; N261-H284 VanDerWaalsContact ND2-CD2 3.31Å; N261-H284 PolarHBondContact ND2-NE2 2.93Å; N261-H284 PolarHBondContact OD1-CD2 3.49Å; N261-H284 PolarHBondContact OD1-N 3.05Å; Y262-H284 AromaticContact CD2-CE1 3.94Å; Y262-H284 AromaticContact CE2-CE1 3.31Å; Y262-H284 WeakPolarHBondContact CE2-CE1 3.35Å; Y262-H284 AromaticContact CZ-CE1 3.54Å; Y262-H284 PolarHBondContact N-O 3.46Å; H284-N286 PolarHBondContact O-N 3.48Å; H284-N286 PolarHBondContact O-ND2 3.37Å; H284-N286 VanDerWaalsContact O-ND2 3.14Å; H284-L306 PolarHBondContact N-O 3.4Å; H284-L306 VanDerWaalsContact N-O 3.14Å; H284-Y308 CarbonylContact C-O 3.38Å; H284-Y308 WeakPolarHBondContact CA-O 3.45Å; H284-Y308 HydrophobicContact CB-CD1 3.91Å; H284-Y308 HydrophobicContact CB-CD2 3.88Å; H284-Y308 HydrophobicContact CB-CE1 3.9Å; H284-Y308 HydrophobicContact CB-CE2 3.87Å; H284-Y308 HydrophobicContact CB-CG 3.89Å; H284-Y308 WeakPolarHBondContact CB-O 3.44Å; H284-Y308 AromaticContact CD2-CE1 3.78Å; H284-Y308 AromaticContact CD2-CZ 3.47Å; H284-Y308 VanDerWaalsContact CD2-CZ 3.47Å; H284-Y308 PolarHBondContact CD2-OH 3.42Å; H284-Y308 AromaticContact CE1-CE2 3.89Å; H284-Y308 AromaticContact CE1-CZ 3.78Å; H284-Y308 PolarHBondContact CE1-OH 3.42Å; H284-Y308 AromaticContact CG-CE1 3.85Å; H284-Y308 AromaticContact CG-CE2 3.58Å; H284-Y308 AromaticContact CG-CZ 3.44Å; H284-Y308 VanDerWaalsContact CG-CZ 3.44Å; H284-Y308 AromaticContact ND1-CE2 3.45Å; H284-Y308 WeakPolarHBondContact ND1-CE2 3.42Å; H284-Y308 AromaticContact ND1-CZ 3.64Å; H284-Y308 AromaticContact NE2-CZ 3.73Å; H284-Y308 PolarHBondContact NE2-OH 3.03Å; H284-Y308 VanDerWaalsContact NE2-OH 3.15Å
285	S	97.4	Very high	96.5	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	22%	0.217	C	C	.	.	S	Bend	trans	54	52.7	-178.8	-44.7	0	0	0	0	112	Y262 N263 Y308 D309	Y262-S285 WeakPolarHBondContact CA-O 3.39Å; Y262-S285 WeakPolarHBondContact CE1-OG 3.12Å; N263-S285 PolarHBondContact N-O 2.9Å; S285-Y308 PolarHBondContact N-O 3.33Å; S285-D309 WeakPolarHBondContact CA-O 3.29Å; S285-D309 PolarHBondContact OG-OD2 2.94Å
286	N	97.9	Very high	96.5	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.048	22%	0.217	C	C	.	.	S	Bend	trans	-125.2	-172.5	175.1	-86.9	-83.2	0	0	0	109.3	L260 N263 S264 L265 F283 H284 I288 D309 N310	L260-N286 PolarHBondContact O-ND2 3.45Å; N263-N286 VanDerWaalsContact CA-OD1 3.29Å; N263-N286 WeakPolarHBondContact CA-OD1 3.12Å; N263-N286 WeakPolarHBondContact CB-OD1 3.47Å; N263-N286 PolarHBondContact O-OD1 3.03Å; S264-N286 PolarHBondContact N-OD1 3.12Å; L265-N286 HydrophobicContact CB-CB 4.21Å; L265-N286 VanDerWaalsContact CB-OD1 3.3Å; L265-N286 WeakPolarHBondContact CB-OD1 3.26Å; L265-N286 WeakPolarHBondContact CG-OD1 3.39Å; L265-N286 PolarHBondContact N-OD1 2.89Å; F283-N286 PolarHBondContact O-ND2 3.4Å; H284-N286 PolarHBondContact O-N 3.48Å; H284-N286 PolarHBondContact O-ND2 3.37Å; H284-N286 VanDerWaalsContact O-ND2 3.14Å; N286-I288 HydrophobicContact CB-CD1 4.31Å; N286-I288 HydrophobicContact CB-CG1 4.31Å; N286-D309 PolarHBondContact N-O 2.96Å; N286-N310 VanDerWaalsContact CA-OD1 3.29Å; N286-N310 WeakPolarHBondContact CA-OD1 3.42Å; N286-N310 WeakPolarHBondContact CB-OD1 2.89Å; N286-N310 PolarHBondContact N-OD1 3.33Å; N286-N310 PolarHBondContact O-OD1 3.12Å
287	S	97.1	Very high	96.4	Very high	58 Å²	58	42.3 Å²	42.3	41%	0.406	22%	0.215	S	C	.	.			trans	-112	29.4	-179.5	-61	0	0	0	0	112.5	L265 Q289 N310	L265-S287 CarbonylContact O-C 3.12Å; L265-S287 WeakPolarHBondContact O-CA 3.36Å; L265-S287 WeakPolarHBondContact O-CB 3.48Å; L265-S287 PolarHBondContact O-N 2.97Å; S287-Q289 PolarHBondContact O-N 3.17Å; S287-N310 PolarHBondContact N-OD1 3.3Å
288	I	96.1	Very high	96.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.201	C	C	.	.			trans	-75.2	125.6	-176.3	-62	166.8	0	0	0	109.7	L265 F283 N286 S290 N310 P311	L265-I288 HydrophobicContact CB-CD1 4.1Å; L265-I288 HydrophobicContact CB-CG1 4.01Å; L265-I288 HydrophobicContact CD1-CD1 4.48Å; L265-I288 PolarHBondContact O-N 3.37Å; F283-I288 HydrophobicContact CD2-CD1 3.6Å; F283-I288 HydrophobicContact CE2-CD1 4.16Å; F283-I288 HydrophobicContact CG-CD1 4.38Å; N286-I288 HydrophobicContact CB-CD1 4.31Å; N286-I288 HydrophobicContact CB-CG1 4.31Å; I288-S290 WeakPolarHBondContact CG2-O 3.41Å; I288-N310 HydrophobicContact CB-CB 4.48Å; I288-N310 WeakPolarHBondContact CB-OD1 3.47Å; I288-N310 PolarHBondContact N-OD1 3.04Å; I288-P311 CarbonylContact O-C 3.12Å; I288-P311 WeakPolarHBondContact O-CD 3.15Å
289	Q	94.1	Very high	96.2	Very high	97 Å²	97	38.2 Å²	38.2	45%	0.453	20%	0.201	S	C	.	.			trans	-95	-22.3	-176.2	-64.2	177.7	26.2	0	0	113.9	S287 P311 I312 Q313 S314	S287-Q289 PolarHBondContact O-N 3.17Å; Q289-P311 WeakPolarHBondContact CA-O 3.33Å; Q289-I312 CarbonylContact O-C 3.57Å; Q289-I312 WeakPolarHBondContact O-CA 3.11Å; Q289-Q313 PolarHBondContact O-N 2.96Å; Q289-S314 PolarHBondContact O-N 3.29Å
290	S	94.7	Very high	96.1	Very high	54 Å²	54	38 Å²	38	38%	0.378	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148	-177.3	63.4	0	0	0	0	113.5	I288 S314	I288-S290 WeakPolarHBondContact CG2-O 3.41Å; S290-S314 WeakPolarHBondContact CA-O 3.49Å; S290-S314 WeakPolarHBondContact CB-O 3.34Å; S290-S314 VanDerWaalsContact CB-OG 3.23Å; S290-S314 WeakPolarHBondContact CB-OG 3.43Å
291	I	95.8	Very high	96	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.8	170.3	-60.7	179.2	0	0	0	108	F268 A295 F296 F307 I312 S314 V315 G316 A319 F320	F268-I291 HydrophobicContact CD2-CG2 4.48Å; F268-I291 HydrophobicContact CE2-CG2 4.37Å; I291-A295 HydrophobicContact CG2-CB 3.67Å; I291-F296 HydrophobicContact CG2-CE2 4.14Å; I291-F307 HydrophobicContact CD1-CD2 4.45Å; I291-F307 HydrophobicContact CD1-CE1 4.49Å; I291-F307 HydrophobicContact CD1-CE2 4.41Å; I291-F307 HydrophobicContact CD1-CZ 4.43Å; I291-I312 HydrophobicContact CD1-CD1 3.98Å; I291-I312 HydrophobicContact CG1-CD1 4.31Å; I291-S314 PolarHBondContact N-O 3.24Å; I291-V315 HydrophobicContact CB-CG1 4.45Å; I291-V315 HydrophobicContact CB-CG2 4.46Å; I291-G316 PolarHBondContact O-N 2.91Å; I291-A319 HydrophobicContact CG2-CB 3.83Å; I291-F320 HydrophobicContact CD1-CZ 3.85Å
292	P	95.5	Very high	96	Very high	50 Å²	50	35 Å²	35	33%	0.325	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-73	163.7	-174.8	29.1	-34.5	0	0	0	113.1	F268 A295	F268-P292 HydrophobicContact CB-CG 4.17Å; F268-P292 HydrophobicContact CD1-CG 3.62Å; F268-P292 HydrophobicContact CE1-CG 4.18Å; F268-P292 VanDerWaalsContact CG-CD 3.43Å; F268-P292 HydrophobicContact CG-CG 3.92Å; P292-A295 HydrophobicContact CG-CB 4.22Å; P292-A295 VanDerWaalsContact O-CB 3.27Å; P292-A295 WeakPolarHBondContact O-CB 2.87Å; P292-A295 PolarHBondContact O-N 3.26Å
293	E	95.1	Very high	95.9	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.444	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	140.6	168.9	-68.2	-69.8	175.3	0	0	111.3	A295 G316 R317 S318	E293-A295 PolarHBondContact O-N 3.23Å; E293-G316 VanDerWaalsContact CD-CA 3.49Å; E293-G316 WeakPolarHBondContact OE1-CA 3.46Å; E293-R317 VanDerWaalsContact CD-N 3.27Å; E293-R317 PolarHBondContact OE1-N 3.14Å; E293-R317 PolarHBondContact OE2-N 3.41Å; E293-S318 WeakPolarHBondContact OE2-CA 3.15Å; E293-S318 VanDerWaalsContact OE2-CB 3.28Å; E293-S318 WeakPolarHBondContact OE2-CB 3.22Å; E293-S318 PolarHBondContact OE2-N 2.74Å; E293-S318 PolarHBondContact OE2-OG 3.31Å
294	R	94.7	Very high	95.8	Very high	156 Å²	156	39.6 Å²	39.6	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	35	-179.3	-55.3	-173.7	-178.6	99.5	0.8	113.5	R273 F296 T297 S318	R273-R294 PolarHBondContact NH2-O 3Å; R294-F296 PolarHBondContact O-N 3.49Å; R294-T297 HydrophobicContact CB-CG2 3.6Å; R294-T297 HydrophobicContact CG-CG2 4.11Å; R294-T297 PolarHBondContact O-OG1 3.09Å; R294-S318 WeakPolarHBondContact CG-OG 3.16Å; R294-S318 PolarHBondContact N-OG 3.36Å
295	A	95.9	Very high	95.7	Very high	3 Å²	3	39.9 Å²	39.9	3%	0.025	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-49.3	179.9	0	0	0	0	0	112.6	F268 I291 P292 E293 A319	F268-A295 HydrophobicContact CE1-CB 3.93Å; F268-A295 HydrophobicContact CE2-CB 4.08Å; F268-A295 HydrophobicContact CZ-CB 3.56Å; I291-A295 HydrophobicContact CG2-CB 3.67Å; P292-A295 HydrophobicContact CG-CB 4.22Å; P292-A295 VanDerWaalsContact O-CB 3.27Å; P292-A295 WeakPolarHBondContact O-CB 2.87Å; P292-A295 PolarHBondContact O-N 3.26Å; E293-A295 PolarHBondContact O-N 3.23Å; A295-A319 HydrophobicContact CB-CB 4.37Å
296	F	96.4	Very high	95.6	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	16	-171.5	-53.6	-71.1	0	0	0	114.3	F268 I272 L281 F283 I291 R294 G298 N299 L302 L305 A319 F320 L323	F268-F296 AromaticContact CE2-CE1 3.8Å; F268-F296 HydrophobicContact CE2-CE1 3.8Å; F268-F296 AromaticContact CE2-CZ 3.69Å; F268-F296 HydrophobicContact CE2-CZ 3.69Å; F268-F296 HydrophobicContact CZ-CD1 4.26Å; F268-F296 AromaticContact CZ-CE1 3.73Å; F268-F296 HydrophobicContact CZ-CE1 3.73Å; F268-F296 AromaticContact CZ-CZ 3.99Å; F268-F296 HydrophobicContact CZ-CZ 3.99Å; I272-F296 HydrophobicContact CD1-CD1 3.88Å; I272-F296 HydrophobicContact CD1-CE1 3.93Å; L281-F296 HydrophobicContact CD2-CD1 4.39Å; L281-F296 HydrophobicContact CD2-CE1 3.93Å; F283-F296 HydrophobicContact CE1-CE1 4.35Å; F283-F296 HydrophobicContact CE1-CZ 4.46Å; F283-F296 HydrophobicContact CZ-CZ 4.21Å; I291-F296 HydrophobicContact CG2-CE2 4.14Å; R294-F296 PolarHBondContact O-N 3.49Å; F296-G298 PolarHBondContact O-N 2.91Å; F296-G298 VanDerWaalsContact O-N 3.11Å; F296-N299 PolarHBondContact O-N 3.05Å; F296-L302 HydrophobicContact CB-CD1 4.16Å; F296-L302 HydrophobicContact CD1-CD1 3.84Å; F296-L302 HydrophobicContact CG-CD1 4.2Å; F296-L305 HydrophobicContact CD2-CD2 4.44Å; F296-L305 HydrophobicContact CE1-CD1 3.95Å; F296-L305 HydrophobicContact CE1-CD2 4.14Å; F296-L305 HydrophobicContact CE2-CD2 3.86Å; F296-L305 HydrophobicContact CZ-CD1 4.04Å; F296-L305 HydrophobicContact CZ-CD2 3.68Å; F296-A319 WeakPolarHBondContact CD2-O 3.18Å; F296-F320 AromaticContact CD2-CD1 3.89Å; F296-F320 HydrophobicContact CD2-CD1 3.89Å; F296-F320 HydrophobicContact CD2-CE1 4.03Å; F296-F320 AromaticContact CE2-CD1 3.77Å; F296-F320 HydrophobicContact CE2-CD1 3.77Å; F296-F320 AromaticContact CE2-CE1 3.41Å; F296-F320 HydrophobicContact CE2-CE1 3.41Å; F296-F320 VanDerWaalsContact CE2-CE1 3.41Å; F296-F320 HydrophobicContact CE2-CZ 4.16Å; F296-F320 HydrophobicContact CZ-CE1 4.29Å; F296-L323 HydrophobicContact CB-CD1 4.17Å; F296-L323 HydrophobicContact CB-CD2 3.97Å; F296-L323 HydrophobicContact CD2-CD1 4.37Å; F296-L323 HydrophobicContact CG-CD1 4.49Å
297	T	93.5	Very high	95.5	Very high	59 Å²	59	42.1 Å²	42.1	36%	0.362	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.2	-176.6	56.6	0	0	0	0	114.4	R273 R294 N299	R273-T297 PolarHBondContact NH1-OG1 2.79Å; R294-T297 HydrophobicContact CB-CG2 3.6Å; R294-T297 HydrophobicContact CG-CG2 4.11Å; R294-T297 PolarHBondContact O-OG1 3.09Å; T297-N299 VanDerWaalsContact C-N 3.34Å
298	G	93.8	Very high	95.3	Very high	15 Å²	15	43 Å²	43	16%	0.155	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-6	172.2	0	0	0	0	0	114.1	S276 F296 P300	S276-G298 WeakPolarHBondContact CA-O 3.27Å; F296-G298 PolarHBondContact O-N 2.91Å; F296-G298 VanDerWaalsContact O-N 3.11Å; G298-P300 VanDerWaalsContact C-CD 3.48Å; G298-P300 WeakPolarHBondContact O-CD 3.38Å
299	N	96.7	Very high	95.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.			trans	-129.1	61.2	-166.1	-45.3	99.5	0	0	0	111.5	I272 L275 F296 T297 S301 L302 L323	I272-N299 PolarHBondContact O-ND2 3.39Å; L275-N299 PolarHBondContact O-ND2 3.13Å; F296-N299 PolarHBondContact O-N 3.05Å; T297-N299 VanDerWaalsContact C-N 3.34Å; N299-S301 PolarHBondContact O-N 3.07Å; N299-L302 HydrophobicContact CB-CD1 3.62Å; N299-L302 HydrophobicContact CB-CG 3.82Å; N299-L302 WeakPolarHBondContact O-CG 3.46Å; N299-L302 PolarHBondContact O-N 3.07Å; N299-L323 WeakPolarHBondContact O-CD2 3.37Å
300	P	95.6	Very high	95.2	Very high	63 Å²	63	43.7 Å²	43.7	41%	0.409	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-16.5	-172.3	29.8	-36.9	0	0	0	114.2	G298 L302 P324	G298-P300 VanDerWaalsContact C-CD 3.48Å; G298-P300 WeakPolarHBondContact O-CD 3.38Å; P300-L302 VanDerWaalsContact C-N 3.34Å; P300-P324 WeakPolarHBondContact O-CD 3.3Å
301	S	96.1	Very high	95.2	Very high	35 Å²	35	44.3 Å²	44.3	25%	0.245	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	13.7	-176.7	-42.9	0	0	0	0	113	L278 K279 N299 I303	L278-S301 CarbonylContact O-C 3.1Å; L278-S301 VanDerWaalsContact O-C 3.26Å; K279-S301 WeakPolarHBondContact CA-O 3.39Å; N299-S301 PolarHBondContact O-N 3.07Å; S301-I303 PolarHBondContact O-N 3.24Å
302	L	97.3	Very high	95.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.			trans	-66.6	126.9	-179.5	-79	172.1	0	0	0	111.1	L278 L281 F296 N299 P300 L323 E325 L326	L278-L302 HydrophobicContact CB-CD2 4.38Å; L278-L302 HydrophobicContact CD2-CD2 4.1Å; L278-L302 HydrophobicContact CG-CD2 3.99Å; L278-L302 PolarHBondContact O-N 3.29Å; L281-L302 HydrophobicContact CB-CD2 3.91Å; F296-L302 HydrophobicContact CB-CD1 4.16Å; F296-L302 HydrophobicContact CD1-CD1 3.84Å; F296-L302 HydrophobicContact CG-CD1 4.2Å; N299-L302 HydrophobicContact CB-CD1 3.62Å; N299-L302 HydrophobicContact CB-CG 3.82Å; N299-L302 WeakPolarHBondContact O-CG 3.46Å; N299-L302 PolarHBondContact O-N 3.07Å; P300-L302 VanDerWaalsContact C-N 3.34Å; L302-L323 HydrophobicContact CB-CD2 4.34Å; L302-L323 HydrophobicContact CD1-CD2 4.32Å; L302-E325 CarbonylContact O-C 3.07Å; L302-L326 PolarHBondContact O-N 3.4Å
303	I	95.8	Very high	94.9	Very high	58 Å²	58	46.4 Å²	46.4	30%	0.297	24%	0.244	S	C	.	.			trans	-106.7	-46.7	177.8	-56.7	174	0	0	0	109.7	K279 S301 E325	K279-I303 HydrophobicContact CB-CD1 4.21Å; K279-I303 HydrophobicContact CB-CG1 4.42Å; K279-I303 HydrophobicContact CD-CD1 4.25Å; K279-I303 HydrophobicContact CG-CD1 4.33Å; K279-I303 PolarHBondContact O-N 3.49Å; S301-I303 PolarHBondContact O-N 3.24Å; I303-E325 HydrophobicContact CG1-CB 4Å
304	S	95.1	Very high	94.8	Very high	45 Å²	45	43.9 Å²	43.9	32%	0.315	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130	-176.9	-173.9	0	0	0	0	110.8	K279 E280 L281	K279-S304 PolarHBondContact O-N 3.43Å; K279-S304 VanDerWaalsContact O-N 3.12Å; E280-S304 WeakPolarHBondContact CA-O 3.39Å; L281-S304 PolarHBondContact N-O 2.94Å
305	L	96	Very high	94.8	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	111.6	-177.8	175	61	0	0	0	109	L281 F283 F296 F307 F320 L326	L281-L305 HydrophobicContact CB-CD1 4.13Å; L281-L305 HydrophobicContact CD2-CD1 3.99Å; L281-L305 HydrophobicContact CG-CD1 4.09Å; L281-L305 WeakPolarHBondContact O-CA 3.5Å; F283-L305 HydrophobicContact CE1-CD1 3.59Å; F283-L305 HydrophobicContact CZ-CD1 4.13Å; F296-L305 HydrophobicContact CD2-CD2 4.44Å; F296-L305 HydrophobicContact CE1-CD1 3.95Å; F296-L305 HydrophobicContact CE1-CD2 4.14Å; F296-L305 HydrophobicContact CE2-CD2 3.86Å; F296-L305 HydrophobicContact CZ-CD1 4.04Å; F296-L305 HydrophobicContact CZ-CD2 3.68Å; L305-F307 HydrophobicContact CD1-CD1 4.07Å; L305-F307 HydrophobicContact CD2-CD1 3.91Å; L305-F307 HydrophobicContact CD2-CE1 3.72Å; L305-F307 HydrophobicContact CG-CD1 3.63Å; L305-F307 HydrophobicContact CG-CE1 3.82Å; L305-F320 HydrophobicContact CD2-CD1 4.26Å; L305-F320 HydrophobicContact CD2-CE1 3.69Å; L305-L326 HydrophobicContact CB-CD1 4.04Å
306	L	95.3	Very high	94.7	Very high	68 Å²	68	37.6 Å²	37.6	36%	0.356	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	108.8	-175.3	-54.3	177.5	0	0	0	110	L281 F283 H284 Y308	L281-L306 PolarHBondContact O-N 3.38Å; F283-L306 PolarHBondContact N-O 2.89Å; H284-L306 PolarHBondContact N-O 3.4Å; H284-L306 VanDerWaalsContact N-O 3.14Å; L306-Y308 HydrophobicContact CB-CD1 4.45Å; L306-Y308 HydrophobicContact CB-CE1 4.05Å; L306-Y308 HydrophobicContact CD2-CE1 4.22Å
307	F	95.4	Very high	94.5	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.035	24%	0.243	C	C	.	.			trans	-136.5	14.8	179.2	61	-106.1	0	0	0	114.4	F283 I291 L305 N310 I312 F320 L329 S330 L331	F283-F307 HydrophobicContact CD2-CB 3.59Å; F283-F307 HydrophobicContact CE1-CB 4.22Å; F283-F307 HydrophobicContact CE2-CB 3.13Å; F283-F307 HydrophobicContact CE2-CD1 4.48Å; F283-F307 HydrophobicContact CE2-CG 4.04Å; F283-F307 HydrophobicContact CG-CB 4.33Å; F283-F307 HydrophobicContact CZ-CB 3.48Å; F283-F307 VanDerWaalsContact CZ-CB 3.48Å; F283-F307 HydrophobicContact CZ-CD1 4.07Å; F283-F307 HydrophobicContact CZ-CG 4.09Å; I291-F307 HydrophobicContact CD1-CD2 4.45Å; I291-F307 HydrophobicContact CD1-CE1 4.49Å; I291-F307 HydrophobicContact CD1-CE2 4.41Å; I291-F307 HydrophobicContact CD1-CZ 4.43Å; L305-F307 HydrophobicContact CD1-CD1 4.07Å; L305-F307 HydrophobicContact CD2-CD1 3.91Å; L305-F307 HydrophobicContact CD2-CE1 3.72Å; L305-F307 HydrophobicContact CG-CD1 3.63Å; L305-F307 HydrophobicContact CG-CE1 3.82Å; F307-N310 WeakPolarHBondContact O-CB 3.48Å; F307-N310 PolarHBondContact O-ND2 2.93Å; F307-I312 HydrophobicContact CD2-CD1 3.38Å; F307-I312 HydrophobicContact CE2-CD1 3.87Å; F307-I312 HydrophobicContact CG-CD1 4.26Å; F307-F320 HydrophobicContact CE1-CE1 4.06Å; F307-F320 HydrophobicContact CE1-CZ 4.04Å; F307-F320 HydrophobicContact CZ-CE1 4.49Å; F307-F320 HydrophobicContact CZ-CZ 4.06Å; F307-L329 HydrophobicContact CE1-CD1 4.15Å; F307-L329 HydrophobicContact CZ-CD1 3.99Å; F307-S330 WeakPolarHBondContact CE2-O 3.42Å; F307-S330 WeakPolarHBondContact CZ-O 3.47Å; F307-L331 HydrophobicContact CE2-CD2 3.51Å; F307-L331 HydrophobicContact CE2-CG 4.3Å; F307-L331 HydrophobicContact CZ-CD2 3.55Å; F307-L331 HydrophobicContact CZ-CG 4.08Å
308	Y	92.8	Very high	94.5	Very high	76 Å²	76	42.1 Å²	42.1	30%	0.298	23%	0.23	S	C	.	.			trans	-57.8	171.3	174.1	57.9	-93.1	0	0	0	112.1	H284 S285 L306 N310 D535	H284-Y308 CarbonylContact C-O 3.38Å; H284-Y308 WeakPolarHBondContact CA-O 3.45Å; H284-Y308 HydrophobicContact CB-CD1 3.91Å; H284-Y308 HydrophobicContact CB-CD2 3.88Å; H284-Y308 HydrophobicContact CB-CE1 3.9Å; H284-Y308 HydrophobicContact CB-CE2 3.87Å; H284-Y308 HydrophobicContact CB-CG 3.89Å; H284-Y308 WeakPolarHBondContact CB-O 3.44Å; H284-Y308 AromaticContact CD2-CE1 3.78Å; H284-Y308 AromaticContact CD2-CZ 3.47Å; H284-Y308 VanDerWaalsContact CD2-CZ 3.47Å; H284-Y308 PolarHBondContact CD2-OH 3.42Å; H284-Y308 AromaticContact CE1-CE2 3.89Å; H284-Y308 AromaticContact CE1-CZ 3.78Å; H284-Y308 PolarHBondContact CE1-OH 3.42Å; H284-Y308 AromaticContact CG-CE1 3.85Å; H284-Y308 AromaticContact CG-CE2 3.58Å; H284-Y308 AromaticContact CG-CZ 3.44Å; H284-Y308 VanDerWaalsContact CG-CZ 3.44Å; H284-Y308 AromaticContact ND1-CE2 3.45Å; H284-Y308 WeakPolarHBondContact ND1-CE2 3.42Å; H284-Y308 AromaticContact ND1-CZ 3.64Å; H284-Y308 AromaticContact NE2-CZ 3.73Å; H284-Y308 PolarHBondContact NE2-OH 3.03Å; H284-Y308 VanDerWaalsContact NE2-OH 3.15Å; S285-Y308 PolarHBondContact N-O 3.33Å; L306-Y308 HydrophobicContact CB-CD1 4.45Å; L306-Y308 HydrophobicContact CB-CE1 4.05Å; L306-Y308 HydrophobicContact CD2-CE1 4.22Å; Y308-N310 PolarHBondContact O-N 2.78Å; Y308-N310 VanDerWaalsContact O-N 3.07Å; Y308-N310 PolarHBondContact O-ND2 2.94Å; Y308-D535 WeakPolarHBondContact CB-OD2 3.32Å; Y308-D535 HydrophobicContact CD2-CB 4.37Å
309	D	93.4	Very high	94.6	Very high	98 Å²	98	41.5 Å²	41.5	52%	0.524	22%	0.223	S	C	.	.	S	Bend	trans	51.5	31.4	-173	-64.9	-23.7	0	0	0	114.2	S285 N286	S285-D309 WeakPolarHBondContact CA-O 3.29Å; S285-D309 PolarHBondContact OG-OD2 2.94Å; N286-D309 PolarHBondContact N-O 2.96Å
310	N	94.6	Very high	94.6	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.08	22%	0.223	C	C	.	.	S	Bend	trans	-111	141.2	165.5	-80.9	-85.6	0	0	0	108.8	F283 N286 S287 I288 F307 Y308 I312	F283-N310 PolarHBondContact O-ND2 3.03Å; N286-N310 VanDerWaalsContact CA-OD1 3.29Å; N286-N310 WeakPolarHBondContact CA-OD1 3.42Å; N286-N310 WeakPolarHBondContact CB-OD1 2.89Å; N286-N310 PolarHBondContact N-OD1 3.33Å; N286-N310 PolarHBondContact O-OD1 3.12Å; S287-N310 PolarHBondContact N-OD1 3.3Å; I288-N310 HydrophobicContact CB-CB 4.48Å; I288-N310 WeakPolarHBondContact CB-OD1 3.47Å; I288-N310 PolarHBondContact N-OD1 3.04Å; F307-N310 WeakPolarHBondContact O-CB 3.48Å; F307-N310 PolarHBondContact O-ND2 2.93Å; Y308-N310 PolarHBondContact O-N 2.78Å; Y308-N310 VanDerWaalsContact O-N 3.07Å; Y308-N310 PolarHBondContact O-ND2 2.94Å; N310-I312 HydrophobicContact CB-CD1 4.07Å; N310-I312 HydrophobicContact CB-CG1 3.68Å; N310-I312 PolarHBondContact O-N 2.96Å
311	P	94.3	Very high	94.5	Very high	68 Å²	68	40.6 Å²	40.6	44%	0.442	21%	0.213	S	C	.	.			trans	-76.1	55.6	176.5	34.7	-37.3	0	0	0	111.4	I288 Q289 Q313	I288-P311 CarbonylContact O-C 3.12Å; I288-P311 WeakPolarHBondContact O-CD 3.15Å; Q289-P311 WeakPolarHBondContact CA-O 3.33Å; P311-Q313 PolarHBondContact O-N 3.02Å
312	I	93.7	Very high	94.4	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.056	23%	0.227	C	C	.	.			trans	-68.7	113.9	-177	-58.6	175.2	0	0	0	108.7	Q289 I291 F307 N310 V315 A334	Q289-I312 CarbonylContact O-C 3.57Å; Q289-I312 WeakPolarHBondContact O-CA 3.11Å; I291-I312 HydrophobicContact CD1-CD1 3.98Å; I291-I312 HydrophobicContact CG1-CD1 4.31Å; F307-I312 HydrophobicContact CD2-CD1 3.38Å; F307-I312 HydrophobicContact CE2-CD1 3.87Å; F307-I312 HydrophobicContact CG-CD1 4.26Å; N310-I312 HydrophobicContact CB-CD1 4.07Å; N310-I312 HydrophobicContact CB-CG1 3.68Å; N310-I312 PolarHBondContact O-N 2.96Å; I312-V315 HydrophobicContact CG2-CG2 3.78Å; I312-A334 WeakPolarHBondContact O-CA 3.11Å
313	Q	92	Very high	94.3	Very high	85 Å²	85	43.6 Å²	43.6	40%	0.397	23%	0.227	S	C	.	.			trans	-94.7	-43.1	177.7	-65.7	176.9	22.9	0	0	110.9	Q289 P311 A334 E336	Q289-Q313 PolarHBondContact O-N 2.96Å; P311-Q313 PolarHBondContact O-N 3.02Å; Q313-A334 CarbonylContact O-C 3.51Å; Q313-E336 HydrophobicContact CB-CG 4.18Å; Q313-E336 WeakPolarHBondContact O-CA 3.2Å; Q313-E336 VanDerWaalsContact O-CB 3.26Å; Q313-E336 WeakPolarHBondContact O-CB 3.47Å; Q313-E336 PolarHBondContact O-N 2.91Å
314	S	92.5	Very high	94.3	Very high	41 Å²	41	44.1 Å²	44.1	29%	0.287	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.9	-175.9	54.5	0	0	0	0	113.7	Q289 S290 I291	Q289-S314 PolarHBondContact O-N 3.29Å; S290-S314 WeakPolarHBondContact CA-O 3.49Å; S290-S314 WeakPolarHBondContact CB-O 3.34Å; S290-S314 VanDerWaalsContact CB-OG 3.23Å; S290-S314 WeakPolarHBondContact CB-OG 3.43Å; I291-S314 PolarHBondContact N-O 3.24Å
315	V	95.3	Very high	94.3	Very high	17 Å²	17	46.8 Å²	46.8	10%	0.103	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.9	179.8	176.3	0	0	0	0	108.5	I291 I312 A319 F320 L331 L337	I291-V315 HydrophobicContact CB-CG1 4.45Å; I291-V315 HydrophobicContact CB-CG2 4.46Å; I312-V315 HydrophobicContact CG2-CG2 3.78Å; V315-A319 HydrophobicContact CG1-CB 4.13Å; V315-F320 HydrophobicContact CG1-CD2 4.27Å; V315-F320 HydrophobicContact CG1-CE2 3.64Å; V315-L331 HydrophobicContact CG2-CD2 4Å; V315-L337 HydrophobicContact CB-CD1 4.34Å
316	G	93.4	Very high	94.3	Very high	11 Å²	11	46 Å²	46	11%	0.113	24%	0.237	C	C	.	.			trans	-64.4	141.7	174.1	0	0	0	0	0	112.1	I291 E293 S318 A319	I291-G316 PolarHBondContact O-N 2.91Å; E293-G316 VanDerWaalsContact CD-CA 3.49Å; E293-G316 WeakPolarHBondContact OE1-CA 3.46Å; G316-S318 VanDerWaalsContact C-N 3.28Å; G316-S318 PolarHBondContact O-N 2.84Å; G316-A319 WeakPolarHBondContact O-CB 3.31Å; G316-A319 PolarHBondContact O-N 2.98Å; G316-A319 VanDerWaalsContact O-N 3.08Å
317	R	92	Very high	94.3	Very high	142 Å²	142	49.1 Å²	49.1	54%	0.536	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.8	-176.1	-177.3	173.4	173.7	171.2	-4.7	113	E293 E339 D342	E293-R317 VanDerWaalsContact CD-N 3.27Å; E293-R317 PolarHBondContact OE1-N 3.14Å; E293-R317 PolarHBondContact OE2-N 3.41Å; R317-E339 IonicContact CZ-OE2 3.55Å; R317-E339 IonicContact NH1-OE2 2.69Å; R317-E339 PolarHBondContact NH1-OE2 3.36Å; R317-E339 VanDerWaalsContact NH1-OE2 3.08Å; R317-D342 HydrophobicContact CG-CB 4.25Å; R317-D342 PolarHBondContact O-N 3.39Å
318	S	94.4	Very high	94.2	Very high	13 Å²	13	51.7 Å²	51.7	9%	0.091	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	12.2	178.4	69.1	0	0	0	0	113.7	E293 R294 G316 F320	E293-S318 WeakPolarHBondContact OE2-CA 3.15Å; E293-S318 VanDerWaalsContact OE2-CB 3.28Å; E293-S318 WeakPolarHBondContact OE2-CB 3.22Å; E293-S318 PolarHBondContact OE2-N 2.74Å; E293-S318 PolarHBondContact OE2-OG 3.31Å; R294-S318 WeakPolarHBondContact CG-OG 3.16Å; R294-S318 PolarHBondContact N-OG 3.36Å; G316-S318 VanDerWaalsContact C-N 3.28Å; G316-S318 PolarHBondContact O-N 2.84Å; S318-F320 VanDerWaalsContact C-N 3.32Å; S318-F320 PolarHBondContact O-N 2Å
319	A	95.6	Very high	94.4	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-43.8	-175.9	0	0	0	0	0	112.3	I291 A295 F296 V315 G316	I291-A319 HydrophobicContact CG2-CB 3.83Å; A295-A319 HydrophobicContact CB-CB 4.37Å; F296-A319 WeakPolarHBondContact CD2-O 3.18Å; V315-A319 HydrophobicContact CG1-CB 4.13Å; G316-A319 WeakPolarHBondContact O-CB 3.31Å; G316-A319 PolarHBondContact O-N 2.98Å; G316-A319 VanDerWaalsContact O-N 3.08Å
320	F	95.6	Very high	94.4	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	25.1	-172.3	-58.1	-74.6	0	0	0	114.2	I291 F296 L305 F307 V315 S318 L323 L329 L331 L343 T346	I291-F320 HydrophobicContact CD1-CZ 3.85Å; F296-F320 AromaticContact CD2-CD1 3.89Å; F296-F320 HydrophobicContact CD2-CD1 3.89Å; F296-F320 HydrophobicContact CD2-CE1 4.03Å; F296-F320 AromaticContact CE2-CD1 3.77Å; F296-F320 HydrophobicContact CE2-CD1 3.77Å; F296-F320 AromaticContact CE2-CE1 3.41Å; F296-F320 HydrophobicContact CE2-CE1 3.41Å; F296-F320 VanDerWaalsContact CE2-CE1 3.41Å; F296-F320 HydrophobicContact CE2-CZ 4.16Å; F296-F320 HydrophobicContact CZ-CE1 4.29Å; L305-F320 HydrophobicContact CD2-CD1 4.26Å; L305-F320 HydrophobicContact CD2-CE1 3.69Å; F307-F320 HydrophobicContact CE1-CE1 4.06Å; F307-F320 HydrophobicContact CE1-CZ 4.04Å; F307-F320 HydrophobicContact CZ-CE1 4.49Å; F307-F320 HydrophobicContact CZ-CZ 4.06Å; V315-F320 HydrophobicContact CG1-CD2 4.27Å; V315-F320 HydrophobicContact CG1-CE2 3.64Å; S318-F320 VanDerWaalsContact C-N 3.32Å; S318-F320 PolarHBondContact O-N 2Å; F320-L323 HydrophobicContact CB-CD1 4.4Å; F320-L323 HydrophobicContact CD1-CD1 4.26Å; F320-L329 HydrophobicContact CB-CD2 4.45Å; F320-L329 HydrophobicContact CD1-CD1 3.91Å; F320-L329 HydrophobicContact CD1-CD2 4.47Å; F320-L329 HydrophobicContact CD2-CD1 4.43Å; F320-L329 HydrophobicContact CD2-CD2 4.17Å; F320-L329 HydrophobicContact CE1-CD1 3.6Å; F320-L329 HydrophobicContact CE2-CD1 4.15Å; F320-L329 HydrophobicContact CG-CD1 4.31Å; F320-L329 HydrophobicContact CG-CD2 4.13Å; F320-L329 HydrophobicContact CZ-CD1 3.74Å; F320-L331 HydrophobicContact CE2-CD1 4.01Å; F320-L331 HydrophobicContact CE2-CD2 4.32Å; F320-L331 HydrophobicContact CZ-CD2 4.29Å; F320-L343 HydrophobicContact CB-CD2 3.78Å; F320-T346 PolarHBondContact O-OG1 3.28Å
321	Q	94.1	Very high	94.3	Very high	44 Å²	44	44.5 Å²	44.5	21%	0.206	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	149.9	174.7	-74.4	178.3	-10.2	0	0	111.8	L323 D342	Q321-L323 PolarHBondContact O-N 3.48Å; Q321-D342 HydrophobicContact CG-CB 4.49Å; Q321-D342 VanDerWaalsContact CG-O 3.31Å; Q321-D342 WeakPolarHBondContact CG-O 2.98Å; Q321-D342 PolarHBondContact NE2-OD2 3.34Å
322	N	93.7	Very high	94	Very high	98 Å²	98	43.6 Å²	43.6	52%	0.524	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	43.5	173.3	-61.2	-36	0	0	0	114.6	P324 S344	N322-P324 WeakPolarHBondContact O-CD 3.42Å; N322-S344 PolarHBondContact N-O 3.09Å
323	L	95.9	Very high	93.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.			trans	-110.9	72.1	172.6	-59.4	175.9	0	0	0	109.7	F296 N299 L302 F320 Q321 E325 L326 T346	F296-L323 HydrophobicContact CB-CD1 4.17Å; F296-L323 HydrophobicContact CB-CD2 3.97Å; F296-L323 HydrophobicContact CD2-CD1 4.37Å; F296-L323 HydrophobicContact CG-CD1 4.49Å; N299-L323 WeakPolarHBondContact O-CD2 3.37Å; L302-L323 HydrophobicContact CB-CD2 4.34Å; L302-L323 HydrophobicContact CD1-CD2 4.32Å; F320-L323 HydrophobicContact CB-CD1 4.4Å; F320-L323 HydrophobicContact CD1-CD1 4.26Å; Q321-L323 PolarHBondContact O-N 3.48Å; L323-E325 PolarHBondContact O-N 3.11Å; L323-L326 HydrophobicContact CB-CB 3.86Å; L323-L326 HydrophobicContact CB-CD2 4.38Å; L323-L326 HydrophobicContact CD1-CD2 4.02Å; L323-L326 PolarHBondContact O-N 3.44Å; L323-T346 HydrophobicContact CB-CG2 4.13Å; L323-T346 PolarHBondContact N-OG1 3.48Å; L323-T346 VanDerWaalsContact N-OG1 3.12Å; L323-T346 WeakPolarHBondContact O-CA 3.36Å; L323-T346 WeakPolarHBondContact O-CG2 3.14Å
324	P	94.7	Very high	93.4	Very high	69 Å²	69	41.1 Å²	41.1	45%	0.448	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.6	-169.5	26.1	-36.8	0	0	0	114.4	P300 N322 G345 G348	P300-P324 WeakPolarHBondContact O-CD 3.3Å; N322-P324 WeakPolarHBondContact O-CD 3.42Å; P324-G345 WeakPolarHBondContact CA-O 3.36Å; P324-G348 WeakPolarHBondContact O-CA 3.33Å; P324-G348 PolarHBondContact O-N 2.97Å
325	E	95.6	Very high	93.2	Very high	101 Å²	101	41.1 Å²	41.1	47%	0.472	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-3.1	-178.3	-56.8	-166.2	175.5	0	0	113.8	L302 I303 L323 R327	L302-E325 CarbonylContact O-C 3.07Å; I303-E325 HydrophobicContact CG1-CB 4Å; L323-E325 PolarHBondContact O-N 3.11Å; E325-R327 PolarHBondContact O-N 3.32Å
326	L	96.3	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.			trans	-69.1	124.6	-179.3	-175.1	73.1	0	0	0	110.1	L302 L305 L323 L329 T346 G348 L349	L302-L326 PolarHBondContact O-N 3.4Å; L305-L326 HydrophobicContact CB-CD1 4.04Å; L323-L326 HydrophobicContact CB-CB 3.86Å; L323-L326 HydrophobicContact CB-CD2 4.38Å; L323-L326 HydrophobicContact CD1-CD2 4.02Å; L323-L326 PolarHBondContact O-N 3.44Å; L326-L329 HydrophobicContact CD2-CB 4.41Å; L326-T346 HydrophobicContact CB-CG2 4.23Å; L326-T346 HydrophobicContact CD2-CG2 4.14Å; L326-G348 CarbonylContact O-C 3.52Å; L326-L349 HydrophobicContact CD2-CD1 4.13Å; L326-L349 HydrophobicContact CG-CD1 4.17Å; L326-L349 WeakPolarHBondContact O-CA 3.16Å; L326-L349 PolarHBondContact O-N 3.16Å
327	R	94.2	Very high	92.9	Very high	132 Å²	132	46 Å²	46	50%	0.498	24%	0.243	S	C	.	.			trans	-97.5	-40.8	-177.3	-63.9	-175.5	-178.4	-128	10.8	113.8	E325 E350 S351	E325-R327 PolarHBondContact O-N 3.32Å; R327-E350 IonicContact CZ-OE1 3Å; R327-E350 IonicContact NE-OE1 3.08Å; R327-E350 IonicContact NH1-OE1 3.75Å; R327-E350 PolarHBondContact NH1-OE1 3.16Å; R327-E350 PolarHBondContact O-N 2.9Å; R327-S351 PolarHBondContact O-N 3.32Å
328	T	94.6	Very high	92.8	Very high	63 Å²	63	41.8 Å²	41.8	39%	0.387	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.9	-173.8	-57.5	0	0	0	0	109.8	S351	T328-S351 WeakPolarHBondContact CA-O 3.45Å
329	L	95.5	Very high	92.7	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.9	171.7	178.3	60.6	0	0	0	109	F307 F320 L326 L331 L343 L349 S351 L352 T353	F307-L329 HydrophobicContact CE1-CD1 4.15Å; F307-L329 HydrophobicContact CZ-CD1 3.99Å; F320-L329 HydrophobicContact CB-CD2 4.45Å; F320-L329 HydrophobicContact CD1-CD1 3.91Å; F320-L329 HydrophobicContact CD1-CD2 4.47Å; F320-L329 HydrophobicContact CD2-CD1 4.43Å; F320-L329 HydrophobicContact CD2-CD2 4.17Å; F320-L329 HydrophobicContact CE1-CD1 3.6Å; F320-L329 HydrophobicContact CE2-CD1 4.15Å; F320-L329 HydrophobicContact CG-CD1 4.31Å; F320-L329 HydrophobicContact CG-CD2 4.13Å; F320-L329 HydrophobicContact CZ-CD1 3.74Å; L326-L329 HydrophobicContact CD2-CB 4.41Å; L329-L331 HydrophobicContact CD1-CG 4.39Å; L329-L343 HydrophobicContact CD2-CD2 3.94Å; L329-L349 HydrophobicContact CB-CD1 3.86Å; L329-S351 PolarHBondContact N-O 3.47Å; L329-L352 HydrophobicContact CB-CD1 4.01Å; L329-L352 HydrophobicContact CD2-CD1 3.85Å; L329-L352 HydrophobicContact CG-CD1 4.05Å; L329-T353 PolarHBondContact O-N 3.13Å
330	S	94.4	Very high	92.6	Very high	33 Å²	33	47.3 Å²	47.3	23%	0.231	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.7	178.2	-176.1	0	0	0	0	110.4	F307 N332 T353	F307-S330 WeakPolarHBondContact CE2-O 3.42Å; F307-S330 WeakPolarHBondContact CZ-O 3.47Å; S330-N332 PolarHBondContact OG-ND2 3.26Å; S330-T353 CarbonylContact C-O 3.57Å; S330-T353 WeakPolarHBondContact CA-O 3.41Å
331	L	92	Very high	92.5	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	99.9	178.7	-74.1	167.4	0	0	0	108.6	F307 V315 F320 L329 T353 I354 T355	F307-L331 HydrophobicContact CE2-CD2 3.51Å; F307-L331 HydrophobicContact CE2-CG 4.3Å; F307-L331 HydrophobicContact CZ-CD2 3.55Å; F307-L331 HydrophobicContact CZ-CG 4.08Å; V315-L331 HydrophobicContact CG2-CD2 4Å; F320-L331 HydrophobicContact CE2-CD1 4.01Å; F320-L331 HydrophobicContact CE2-CD2 4.32Å; F320-L331 HydrophobicContact CZ-CD2 4.29Å; L329-L331 HydrophobicContact CD1-CG 4.39Å; L331-T353 PolarHBondContact N-O 3.29Å; L331-I354 HydrophobicContact CB-CB 4.45Å; L331-I354 HydrophobicContact CB-CG1 4.31Å; L331-I354 HydrophobicContact CB-CG2 4.12Å; L331-I354 HydrophobicContact CD1-CD1 4.32Å; L331-I354 HydrophobicContact CD1-CG1 4.21Å; L331-I354 CarbonylContact O-C 3.44Å; L331-I354 VanDerWaalsContact O-CA 3.3Å; L331-I354 WeakPolarHBondContact O-CA 3.46Å; L331-T355 PolarHBondContact O-N 3.22Å
332	N	88.6	Confident	92.5	Very high	50 Å²	50	47.2 Å²	47.2	27%	0.267	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.8	-179.1	-64.4	-33.1	0	0	0	110.5	S330 T355 V534	S330-N332 PolarHBondContact OG-ND2 3.26Å; N332-T355 PolarHBondContact OD1-OG1 3.31Å; N332-V534 WeakPolarHBondContact ND2-CG1 3.31Å
333	G	82.4	Confident	92.5	Very high	42 Å²	42	42.5 Å²	42.5	43%	0.433	24%	0.238	S	C	.	.			trans	78.5	22.1	171.5	0	0	0	0	0	115.8	A335 T355	G333-A335 PolarHBondContact O-N 2.82Å; G333-T355 PolarHBondContact N-O 2.95Å
334	A	90.1	Very high	92.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	25%	0.253	C	S	.	.			trans	-73.1	71.1	177.9	0	0	0	0	0	112.3	I312 Q313 E336 L337 A357	I312-A334 WeakPolarHBondContact O-CA 3.11Å; Q313-A334 CarbonylContact O-C 3.51Å; A334-E336 PolarHBondContact O-N 2.78Å; A334-E336 VanDerWaalsContact O-N 3.1Å; A334-L337 HydrophobicContact CB-CB 4Å; A334-L337 HydrophobicContact CB-CD2 4.37Å; A334-L337 VanDerWaalsContact O-CB 3.32Å; A334-L337 WeakPolarHBondContact O-CB 3.28Å; A334-L337 PolarHBondContact O-N 2.67Å; A334-A357 WeakPolarHBondContact O-CA 3.49Å; A334-A357 WeakPolarHBondContact O-CB 3.18Å
335	A	88.7	Confident	92	Very high	42 Å²	42	42.7 Å²	42.7	35%	0.347	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.1	-166.2	0	0	0	0	0	115.7	G333 R358	G333-A335 PolarHBondContact O-N 2.82Å; A335-R358 WeakPolarHBondContact O-CD 3.47Å; A335-R358 WeakPolarHBondContact O-CG 3.4Å; A335-R358 PolarHBondContact O-NE 3.46Å
336	E	90.6	Very high	92	Very high	118 Å²	118	37.9 Å²	37.9	55%	0.551	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7	176.6	-55.3	-171.2	154.3	0	0	113.1	Q313 A334 A338	Q313-E336 HydrophobicContact CB-CG 4.18Å; Q313-E336 WeakPolarHBondContact O-CA 3.2Å; Q313-E336 VanDerWaalsContact O-CB 3.26Å; Q313-E336 WeakPolarHBondContact O-CB 3.47Å; Q313-E336 PolarHBondContact O-N 2.91Å; A334-E336 PolarHBondContact O-N 2.78Å; A334-E336 VanDerWaalsContact O-N 3.1Å; E336-A338 PolarHBondContact O-N 2.94Å
337	L	91.5	Very high	91.8	Very high	12 Å²	12	44 Å²	44	6%	0.063	25%	0.25	C	C	.	.			trans	-72.6	100.9	179.8	-174.9	65.5	0	0	0	110.4	V315 A334 E339 I354 A357 R358 I359	V315-L337 HydrophobicContact CB-CD1 4.34Å; A334-L337 HydrophobicContact CB-CB 4Å; A334-L337 HydrophobicContact CB-CD2 4.37Å; A334-L337 VanDerWaalsContact O-CB 3.32Å; A334-L337 WeakPolarHBondContact O-CB 3.28Å; A334-L337 PolarHBondContact O-N 2.67Å; L337-E339 VanDerWaalsContact CD1-O 3.24Å; L337-E339 WeakPolarHBondContact CD1-O 3.31Å; L337-E339 WeakPolarHBondContact CG-O 3.27Å; L337-I354 HydrophobicContact CD2-CG2 3.98Å; L337-A357 HydrophobicContact CB-CB 4.03Å; L337-A357 HydrophobicContact CD2-CB 4.4Å; L337-R358 CarbonylContact O-C 3.43Å; L337-R358 WeakPolarHBondContact O-CA 3.46Å; L337-R358 PolarHBondContact O-N 3.36Å; L337-I359 HydrophobicContact CD2-CD1 4.35Å
338	A	90.5	Very high	91.7	Very high	54 Å²	54	38.4 Å²	38.4	45%	0.446	23%	0.234	S	C	.	.			trans	-93	-24.8	-178.4	0	0	0	0	0	114	E336	E336-A338 PolarHBondContact O-N 2.94Å
339	E	91.8	Very high	91.7	Very high	115 Å²	115	35.4 Å²	35.4	54%	0.537	22%	0.215	S	C	.	.	S	Bend	trans	-116.7	149.6	-179.9	-67.7	-173.9	-177.3	0	0	110.6	R317 L337	R317-E339 IonicContact CZ-OE2 3.55Å; R317-E339 IonicContact NH1-OE2 2.69Å; R317-E339 PolarHBondContact NH1-OE2 3.36Å; R317-E339 VanDerWaalsContact NH1-OE2 3.08Å; L337-E339 VanDerWaalsContact CD1-O 3.24Å; L337-E339 WeakPolarHBondContact CD1-O 3.31Å; L337-E339 WeakPolarHBondContact CG-O 3.27Å
340	F	93.4	Very high	91.7	Very high	15 Å²	15	38.2 Å²	38.2	7%	0.066	23%	0.229	C	C	.	.			trans	-66.6	135.6	173.3	-173.5	-91.1	0	0	0	110.6	L343 L352 I354 I359 L362 P363 M366 L378	F340-L343 HydrophobicContact CE1-CD1 4.09Å; F340-L343 HydrophobicContact CZ-CD1 4.06Å; F340-L352 HydrophobicContact CE2-CD2 3.96Å; F340-L352 HydrophobicContact CZ-CD2 3.67Å; F340-I354 HydrophobicContact CD2-CD1 4.31Å; F340-I354 HydrophobicContact CE2-CD1 4.02Å; F340-I359 HydrophobicContact CB-CG2 4.5Å; F340-I359 HydrophobicContact CD2-CD1 4.44Å; F340-L362 HydrophobicContact CD2-CD2 3.57Å; F340-L362 HydrophobicContact CE2-CD2 4.05Å; F340-L362 HydrophobicContact CG-CD2 4.24Å; F340-P363 HydrophobicContact CD1-CG 3.79Å; F340-P363 HydrophobicContact CE1-CG 4.36Å; F340-P363 HydrophobicContact CG-CG 4.39Å; F340-M366 HydrophobicContact CE1-CG 4.26Å; F340-M366 HydrophobicContact CZ-CG 4.13Å; F340-L378 HydrophobicContact CE2-CD2 4.32Å
341	P	93.6	Very high	91.8	Very high	4 Å²	4	37 Å²	37	3%	0.026	22%	0.22	C	C	.	.			trans	-65.9	148.5	-177.8	27.1	-34.7	0	0	0	112.1	L343 I354	P341-L343 PolarHBondContact O-N 3.06Å; P341-I354 HydrophobicContact CG-CD1 3.76Å
342	D	93.4	Very high	92	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	22%	0.219	C	C	.	.			trans	-82.5	111.9	175.4	-177.4	11.4	0	0	0	110.3	R317 Q321 S344	R317-D342 HydrophobicContact CG-CB 4.25Å; R317-D342 PolarHBondContact O-N 3.39Å; Q321-D342 HydrophobicContact CG-CB 4.49Å; Q321-D342 VanDerWaalsContact CG-O 3.31Å; Q321-D342 WeakPolarHBondContact CG-O 2.98Å; Q321-D342 PolarHBondContact NE2-OD2 3.34Å; D342-S344 VanDerWaalsContact OD1-CB 3.29Å; D342-S344 WeakPolarHBondContact OD1-CB 3.13Å; D342-S344 PolarHBondContact OD1-N 3.01Å; D342-S344 PolarHBondContact OD1-OG 3.5Å
343	L	93.7	Very high	92.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.			trans	-100.8	23.8	-178	-60.4	174.5	0	0	0	112.2	F320 L329 F340 P341 G345 T346 L349 L352 L370	F320-L343 HydrophobicContact CB-CD2 3.78Å; L329-L343 HydrophobicContact CD2-CD2 3.94Å; F340-L343 HydrophobicContact CE1-CD1 4.09Å; F340-L343 HydrophobicContact CZ-CD1 4.06Å; P341-L343 PolarHBondContact O-N 3.06Å; L343-G345 PolarHBondContact O-N 3.34Å; L343-T346 WeakPolarHBondContact O-CB 3.45Å; L343-T346 PolarHBondContact O-N 2.87Å; L343-L349 HydrophobicContact CD1-CD2 4.4Å; L343-L352 HydrophobicContact CD1-CD1 4.4Å; L343-L352 HydrophobicContact CD1-CD2 4.07Å; L343-L370 HydrophobicContact CB-CD2 4.18Å; L343-L370 HydrophobicContact CD1-CD1 3.95Å; L343-L370 HydrophobicContact CD1-CD2 4.15Å
344	S	91.8	Very high	93	Very high	44 Å²	44	33.1 Å²	33.1	31%	0.308	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	124.8	174.2	-67.3	0	0	0	0	111.7	N322 D342 T346 Q369	N322-S344 PolarHBondContact N-O 3.09Å; D342-S344 VanDerWaalsContact OD1-CB 3.29Å; D342-S344 WeakPolarHBondContact OD1-CB 3.13Å; D342-S344 PolarHBondContact OD1-N 3.01Å; D342-S344 PolarHBondContact OD1-OG 3.5Å; S344-T346 VanDerWaalsContact C-N 3.34Å; S344-Q369 PolarHBondContact OG-NE2 2.92Å
345	G	90.1	Very high	93.2	Very high	29 Å²	29	34.2 Å²	34.2	30%	0.299	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-5.3	-178.3	0	0	0	0	0	115.1	P324 L343 K347	P324-G345 WeakPolarHBondContact CA-O 3.36Å; L343-G345 PolarHBondContact O-N 3.34Å; G345-K347 PolarHBondContact O-N 3.31Å
346	T	94.6	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.			trans	-101.2	59.2	-177.6	-56.1	0	0	0	0	110.6	F320 L323 L326 L343 S344 L349 L370	F320-T346 PolarHBondContact O-OG1 3.28Å; L323-T346 HydrophobicContact CB-CG2 4.13Å; L323-T346 PolarHBondContact N-OG1 3.48Å; L323-T346 VanDerWaalsContact N-OG1 3.12Å; L323-T346 WeakPolarHBondContact O-CA 3.36Å; L323-T346 WeakPolarHBondContact O-CG2 3.14Å; L326-T346 HydrophobicContact CB-CG2 4.23Å; L326-T346 HydrophobicContact CD2-CG2 4.14Å; L343-T346 WeakPolarHBondContact O-CB 3.45Å; L343-T346 PolarHBondContact O-N 2.87Å; S344-T346 VanDerWaalsContact C-N 3.34Å; T346-L349 HydrophobicContact CG2-CD1 4.46Å; T346-L370 WeakPolarHBondContact O-CD2 3.41Å
347	K	91.9	Very high	93.5	Very high	127 Å²	127	28.3 Å²	28.3	55%	0.552	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.9	-171.2	-61.6	-174.6	176.6	-173.9	0	114.6	G345 L349 N372	G345-K347 PolarHBondContact O-N 3.31Å; K347-L349 PolarHBondContact O-N 2.94Å; K347-N372 PolarHBondContact O-ND2 3.47Å
348	G	92.4	Very high	93.6	Very high	16 Å²	16	35.4 Å²	35.4	17%	0.165	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-2.2	-179.5	0	0	0	0	0	114.6	P324 L326 E350	P324-G348 WeakPolarHBondContact O-CA 3.33Å; P324-G348 PolarHBondContact O-N 2.97Å; L326-G348 CarbonylContact O-C 3.52Å; G348-E350 PolarHBondContact O-N 3.43Å
349	L	95.3	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.			trans	-68	125.2	-172	-153.5	79.2	0	0	0	111.8	L326 L329 L343 T346 K347 L352 L370 N372 L373	L326-L349 HydrophobicContact CD2-CD1 4.13Å; L326-L349 HydrophobicContact CG-CD1 4.17Å; L326-L349 WeakPolarHBondContact O-CA 3.16Å; L326-L349 PolarHBondContact O-N 3.16Å; L329-L349 HydrophobicContact CB-CD1 3.86Å; L343-L349 HydrophobicContact CD1-CD2 4.4Å; T346-L349 HydrophobicContact CG2-CD1 4.46Å; K347-L349 PolarHBondContact O-N 2.94Å; L349-L352 HydrophobicContact CD2-CB 3.72Å; L349-L352 HydrophobicContact CD2-CD1 3.95Å; L349-L352 HydrophobicContact CD2-CD2 4.35Å; L349-L352 HydrophobicContact CD2-CG 4.21Å; L349-L370 HydrophobicContact CB-CD2 3.98Å; L349-L370 HydrophobicContact CD2-CD1 4.38Å; L349-L370 HydrophobicContact CD2-CD2 4.08Å; L349-N372 CarbonylContact O-C 3.12Å; L349-L373 HydrophobicContact CD2-CD1 4.14Å; L349-L373 HydrophobicContact CG-CD1 4.43Å; L349-L373 WeakPolarHBondContact O-CA 3.39Å; L349-L373 PolarHBondContact O-N 2.96Å
350	E	95.4	Very high	93.9	Very high	61 Å²	61	30.7 Å²	30.7	29%	0.285	17%	0.17	S	C	.	.			trans	-104.7	-33.5	177.5	-64.5	174.2	-157.3	0	0	110.9	R327 G348 Q374 L375	R327-E350 IonicContact CZ-OE1 3Å; R327-E350 IonicContact NE-OE1 3.08Å; R327-E350 IonicContact NH1-OE1 3.75Å; R327-E350 PolarHBondContact NH1-OE1 3.16Å; R327-E350 PolarHBondContact O-N 2.9Å; G348-E350 PolarHBondContact O-N 3.43Å; E350-Q374 WeakPolarHBondContact O-CA 3.42Å; E350-Q374 WeakPolarHBondContact O-CB 3.37Å; E350-Q374 PolarHBondContact O-N 3.09Å; E350-L375 PolarHBondContact O-N 3.34Å; E350-L375 VanDerWaalsContact O-N 3.13Å
351	S	96.1	Very high	93.9	Very high	6 Å²	6	33 Å²	33	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.8	-178.9	-177	0	0	0	0	111.4	R327 T328 L329 W538	R327-S351 PolarHBondContact O-N 3.32Å; T328-S351 WeakPolarHBondContact CA-O 3.45Å; L329-S351 PolarHBondContact N-O 3.47Å; S351-W538 WeakPolarHBondContact OG-CH2 3.43Å; S351-W538 WeakPolarHBondContact OG-CZ2 3.45Å
352	L	96.3	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.1	176.4	-177.8	59.5	0	0	0	110.5	L329 F340 L343 L349 I354 L370 L373 L375 L376 D377	L329-L352 HydrophobicContact CB-CD1 4.01Å; L329-L352 HydrophobicContact CD2-CD1 3.85Å; L329-L352 HydrophobicContact CG-CD1 4.05Å; F340-L352 HydrophobicContact CE2-CD2 3.96Å; F340-L352 HydrophobicContact CZ-CD2 3.67Å; L343-L352 HydrophobicContact CD1-CD1 4.4Å; L343-L352 HydrophobicContact CD1-CD2 4.07Å; L349-L352 HydrophobicContact CD2-CB 3.72Å; L349-L352 HydrophobicContact CD2-CD1 3.95Å; L349-L352 HydrophobicContact CD2-CD2 4.35Å; L349-L352 HydrophobicContact CD2-CG 4.21Å; L352-I354 HydrophobicContact CD1-CD1 4.02Å; L352-I354 HydrophobicContact CD1-CG1 3.91Å; L352-I354 HydrophobicContact CG-CD1 4.48Å; L352-I354 HydrophobicContact CG-CG1 4.31Å; L352-L370 HydrophobicContact CD2-CD1 4.01Å; L352-L373 HydrophobicContact CB-CD1 3.77Å; L352-L375 PolarHBondContact N-O 2.94Å; L352-L376 HydrophobicContact CB-CD1 4.27Å; L352-L376 HydrophobicContact CD2-CD1 3.96Å; L352-L376 HydrophobicContact CG-CD1 4.27Å; L352-L376 WeakPolarHBondContact O-CA 3.39Å; L352-D377 PolarHBondContact O-N 3.08Å
353	T	96	Very high	93.8	Very high	14 Å²	14	34 Å²	34	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.3	175.4	-61.5	0	0	0	0	108.9	L329 S330 L331 T355 D377	L329-T353 PolarHBondContact O-N 3.13Å; S330-T353 CarbonylContact C-O 3.57Å; S330-T353 WeakPolarHBondContact CA-O 3.41Å; L331-T353 PolarHBondContact N-O 3.29Å; T353-T355 HydrophobicContact CG2-CG2 3.71Å; T353-D377 CarbonylContact C-O 3.11Å; T353-D377 WeakPolarHBondContact CA-O 3.17Å; T353-D377 HydrophobicContact CG2-CB 4.06Å
354	I	95.1	Very high	93.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	98.3	172.3	-49	180	0	0	0	108.6	L331 L337 F340 P341 L352 A357 I359 D377 L378 N381	L331-I354 HydrophobicContact CB-CB 4.45Å; L331-I354 HydrophobicContact CB-CG1 4.31Å; L331-I354 HydrophobicContact CB-CG2 4.12Å; L331-I354 HydrophobicContact CD1-CD1 4.32Å; L331-I354 HydrophobicContact CD1-CG1 4.21Å; L331-I354 CarbonylContact O-C 3.44Å; L331-I354 VanDerWaalsContact O-CA 3.3Å; L331-I354 WeakPolarHBondContact O-CA 3.46Å; L337-I354 HydrophobicContact CD2-CG2 3.98Å; F340-I354 HydrophobicContact CD2-CD1 4.31Å; F340-I354 HydrophobicContact CE2-CD1 4.02Å; P341-I354 HydrophobicContact CG-CD1 3.76Å; L352-I354 HydrophobicContact CD1-CD1 4.02Å; L352-I354 HydrophobicContact CD1-CG1 3.91Å; L352-I354 HydrophobicContact CG-CD1 4.48Å; L352-I354 HydrophobicContact CG-CG1 4.31Å; I354-A357 HydrophobicContact CG2-CB 4.37Å; I354-I359 HydrophobicContact CG2-CD1 3.84Å; I354-D377 PolarHBondContact N-O 2.67Å; I354-L378 HydrophobicContact CB-CD2 3.82Å; I354-L378 HydrophobicContact CD1-CD2 4.39Å; I354-L378 HydrophobicContact CG1-CD2 4.23Å; I354-L378 WeakPolarHBondContact O-CA 3.17Å; I354-N381 PolarHBondContact O-ND2 3.03Å
355	T	94.4	Very high	93.5	Very high	23 Å²	23	38.7 Å²	38.7	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	152.9	-173.9	70.5	0	0	0	0	112.4	L331 N332 G333 T353 A357 S379	L331-T355 PolarHBondContact O-N 3.22Å; N332-T355 PolarHBondContact OD1-OG1 3.31Å; G333-T355 PolarHBondContact N-O 2.95Å; T353-T355 HydrophobicContact CG2-CG2 3.71Å; T355-A357 VanDerWaalsContact C-N 3.29Å; T355-A357 PolarHBondContact O-N 2.82Å; T355-S379 VanDerWaalsContact CA-O 3.31Å; T355-S379 WeakPolarHBondContact CA-O 3.25Å; T355-S379 WeakPolarHBondContact CG2-OG 3.38Å
356	G	91.5	Very high	93.6	Very high	29 Å²	29	37.4 Å²	37.4	30%	0.299	22%	0.215	S	C	.	.	S	Bend	trans	66.7	28.6	174.1	0	0	0	0	0	114.3	S379 Y380	G356-S379 PolarHBondContact N-O 3.09Å; G356-Y380 WeakPolarHBondContact CA-O 3.3Å; G356-Y380 PolarHBondContact N-O 3.24Å
357	A	93.9	Very high	93.4	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	22%	0.216	C	C	.	.	S	Bend	trans	-104.7	-173.8	176.2	0	0	0	0	0	111.4	A334 L337 I354 T355 I359 N381	A334-A357 WeakPolarHBondContact O-CA 3.49Å; A334-A357 WeakPolarHBondContact O-CB 3.18Å; L337-A357 HydrophobicContact CB-CB 4.03Å; L337-A357 HydrophobicContact CD2-CB 4.4Å; I354-A357 HydrophobicContact CG2-CB 4.37Å; T355-A357 VanDerWaalsContact C-N 3.29Å; T355-A357 PolarHBondContact O-N 2.82Å; A357-I359 HydrophobicContact CB-CD1 4.42Å; A357-I359 HydrophobicContact CB-CG1 4.2Å; A357-N381 VanDerWaalsContact C-OD1 3.22Å; A357-N381 WeakPolarHBondContact CA-OD1 3.45Å; A357-N381 WeakPolarHBondContact CB-OD1 3.39Å; A357-N381 PolarHBondContact O-OD1 3.28Å
358	R	94.4	Very high	93.2	Very high	162 Å²	162	39 Å²	39	61%	0.611	23%	0.225	S	C	*	.			trans	-113.4	30.4	-179.6	-62.7	-177.1	-171.6	-157.6	0.8	112	A335 L337 T360	A335-R358 WeakPolarHBondContact O-CD 3.47Å; A335-R358 WeakPolarHBondContact O-CG 3.4Å; A335-R358 PolarHBondContact O-NE 3.46Å; L337-R358 CarbonylContact O-C 3.43Å; L337-R358 WeakPolarHBondContact O-CA 3.46Å; L337-R358 PolarHBondContact O-N 3.36Å; R358-T360 PolarHBondContact O-N 3.48Å
359	I	94.9	Very high	93	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.			trans	-66.9	125.2	-178	-60	173.9	0	0	0	109.3	L337 F340 I354 A357 S361 L362 N381 K382 I383	L337-I359 HydrophobicContact CD2-CD1 4.35Å; F340-I359 HydrophobicContact CB-CG2 4.5Å; F340-I359 HydrophobicContact CD2-CD1 4.44Å; I354-I359 HydrophobicContact CG2-CD1 3.84Å; A357-I359 HydrophobicContact CB-CD1 4.42Å; A357-I359 HydrophobicContact CB-CG1 4.2Å; I359-S361 WeakPolarHBondContact CG2-O 3.36Å; I359-L362 HydrophobicContact CG2-CD2 4.36Å; I359-N381 HydrophobicContact CB-CB 4.46Å; I359-N381 PolarHBondContact N-OD1 2.91Å; I359-K382 CarbonylContact O-C 3.59Å; I359-K382 VanDerWaalsContact O-CA 3.28Å; I359-K382 WeakPolarHBondContact O-CA 3.34Å; I359-K382 PolarHBondContact O-N 3.45Å; I359-I383 HydrophobicContact CG2-CG1 4.33Å; I359-I383 PolarHBondContact O-N 2.88Å; I359-I383 VanDerWaalsContact O-N 3.12Å
360	T	93.4	Very high	92.8	Very high	69 Å²	69	40 Å²	40	42%	0.423	23%	0.225	S	C	.	.			trans	-99.4	-27.5	-177.4	54	0	0	0	0	114	R358 K382 I383 Q384	R358-T360 PolarHBondContact O-N 3.48Å; T360-K382 WeakPolarHBondContact CA-O 3.35Å; T360-K382 HydrophobicContact CG2-CB 4.39Å; T360-I383 WeakPolarHBondContact O-CA 3.27Å; T360-Q384 PolarHBondContact O-N 3.03Å
361	S	93.3	Very high	92.6	Very high	64 Å²	64	39.4 Å²	39.4	45%	0.448	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-154.3	157.7	-178.6	60.3	0	0	0	0	111.5	I359	I359-S361 WeakPolarHBondContact CG2-O 3.36Å
362	L	93.6	Very high	92.5	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.073	24%	0.244	C	C	.	.			trans	-108.4	143.1	178	-59.4	169.9	0	0	0	110.4	F340 I359 M366 L378 I383 L386 P387 F389	F340-L362 HydrophobicContact CD2-CD2 3.57Å; F340-L362 HydrophobicContact CE2-CD2 4.05Å; F340-L362 HydrophobicContact CG-CD2 4.24Å; I359-L362 HydrophobicContact CG2-CD2 4.36Å; L362-M366 HydrophobicContact CB-CE 4.33Å; L362-M366 HydrophobicContact CD1-CE 3.92Å; L362-M366 HydrophobicContact CD2-CE 4.38Å; L362-M366 HydrophobicContact CG-CE 4.44Å; L362-L378 HydrophobicContact CD1-CD1 3.61Å; L362-L378 HydrophobicContact CD2-CD1 3.54Å; L362-L378 HydrophobicContact CG-CD1 4.18Å; L362-I383 HydrophobicContact CD1-CD1 4.43Å; L362-I383 HydrophobicContact CD2-CD1 4.44Å; L362-I383 HydrophobicContact CG-CD1 4.41Å; L362-L386 HydrophobicContact CD1-CD2 4.35Å; L362-P387 HydrophobicContact CB-CG 3.85Å; L362-P387 HydrophobicContact CD1-CG 4.47Å; L362-F389 HydrophobicContact CD1-CZ 4.38Å
363	P	92.2	Very high	92.4	Very high	48 Å²	48	42.9 Å²	42.9	31%	0.312	24%	0.244	S	C	.	.			trans	-69.2	140.3	178.1	25.4	-29	0	0	0	111.1	F340 S365 M366	F340-P363 HydrophobicContact CD1-CG 3.79Å; F340-P363 HydrophobicContact CE1-CG 4.36Å; F340-P363 HydrophobicContact CG-CG 4.39Å; P363-S365 PolarHBondContact O-N 2.85Å; P363-M366 HydrophobicContact CG-CB 4.21Å; P363-M366 WeakPolarHBondContact O-CB 3.44Å; P363-M366 PolarHBondContact O-N 3.23Å; P363-M366 VanDerWaalsContact O-N 3.17Å
364	S	89.3	Confident	92.4	Very high	102 Å²	102	45.9 Å²	45.9	71%	0.713	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.9	-179.3	55.9	0	0	0	0	113.7	M366	S364-M366 VanDerWaalsContact C-N 3.33Å
365	S	88.8	Confident	92.5	Very high	41 Å²	41	46.8 Å²	46.8	29%	0.287	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	5.6	178.2	58.8	0	0	0	0	113.7	P363 C367 E368 Q369	P363-S365 PolarHBondContact O-N 2.85Å; S365-C367 VanDerWaalsContact C-N 3.33Å; S365-C367 PolarHBondContact O-N 3.42Å; S365-E368 WeakPolarHBondContact O-CB 3.45Å; S365-E368 PolarHBondContact O-N 3.07Å; S365-E368 VanDerWaalsContact O-N 3.11Å; S365-Q369 PolarHBondContact O-N 2.85Å
366	M	92.5	Very high	92.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-46.5	-177.4	-178.9	-120.2	-77	0	0	112	F340 L362 P363 S364 E368 Q369 L370 L376 F389	F340-M366 HydrophobicContact CE1-CG 4.26Å; F340-M366 HydrophobicContact CZ-CG 4.13Å; L362-M366 HydrophobicContact CB-CE 4.33Å; L362-M366 HydrophobicContact CD1-CE 3.92Å; L362-M366 HydrophobicContact CD2-CE 4.38Å; L362-M366 HydrophobicContact CG-CE 4.44Å; P363-M366 HydrophobicContact CG-CB 4.21Å; P363-M366 WeakPolarHBondContact O-CB 3.44Å; P363-M366 PolarHBondContact O-N 3.23Å; P363-M366 VanDerWaalsContact O-N 3.17Å; S364-M366 VanDerWaalsContact C-N 3.33Å; M366-E368 VanDerWaalsContact C-N 3.28Å; M366-E368 PolarHBondContact O-N 2.7Å; M366-Q369 WeakPolarHBondContact O-CB 3.5Å; M366-Q369 PolarHBondContact O-N 2.75Å; M366-L370 HydrophobicContact CG-CD1 4.01Å; M366-L370 PolarHBondContact O-N 3.4Å; M366-L370 HydrophobicContact SD-CD1 4.35Å; M366-L376 HydrophobicContact CE-CD2 4.12Å; M366-F389 HydrophobicContact CE-CE1 3.95Å
367	C	90.4	Very high	92.9	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.034	25%	0.249	C	C	.	.	H	α-helix	trans	-70.1	-22.3	179.5	-74.6	0	0	0	0	114.1	S365 Q369 F389 T390 C392	S365-C367 VanDerWaalsContact C-N 3.33Å; S365-C367 PolarHBondContact O-N 3.42Å; C367-Q369 VanDerWaalsContact C-N 3.29Å; C367-F389 PolarHBondContact SG-O 2.8Å; C367-T390 WeakPolarHBondContact CB-O 3.33Å; C367-C392 WeakPolarHBondContact CA-SG 3.29Å; C367-C392 HydrophobicContact CB-CB 3.97Å; C367-C392 WeakPolarHBondContact CB-SG 3.39Å; C367-C392 WeakPolarHBondContact SG-CB 3.36Å; C367-C392 CovalentContact SG-SG 2.04Å; C367-C392 PolarHBondContact SG-SG 2.74Å
368	E	87.4	Confident	93	Very high	156 Å²	156	45.4 Å²	45.4	73%	0.729	25%	0.246	S	C	*	.	H	α-helix	trans	-72.8	-27.9	171	-59.4	179.1	174.7	0	0	111.4	S365 M366	S365-E368 WeakPolarHBondContact O-CB 3.45Å; S365-E368 PolarHBondContact O-N 3.07Å; S365-E368 VanDerWaalsContact O-N 3.11Å; M366-E368 VanDerWaalsContact C-N 3.28Å; M366-E368 PolarHBondContact O-N 2.7Å
369	Q	88.3	Confident	93.1	Very high	37 Å²	37	37.9 Å²	37.9	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-82.9	-32.1	177.7	-65.8	178.8	-16.3	0	0	112.6	S344 S365 M366 C367 P371	S344-Q369 PolarHBondContact OG-NE2 2.92Å; S365-Q369 PolarHBondContact O-N 2.85Å; M366-Q369 WeakPolarHBondContact O-CB 3.5Å; M366-Q369 PolarHBondContact O-N 2.75Å; C367-Q369 VanDerWaalsContact C-N 3.29Å; Q369-P371 VanDerWaalsContact C-CD 3.45Å; Q369-P371 VanDerWaalsContact O-CD 3.28Å; Q369-P371 WeakPolarHBondContact O-CD 3.36Å
370	L	92.4	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.			trans	-121.6	66.5	-171.1	-54.3	177.1	0	0	0	112.8	L343 T346 L349 L352 M366 N372 L373	L343-L370 HydrophobicContact CB-CD2 4.18Å; L343-L370 HydrophobicContact CD1-CD1 3.95Å; L343-L370 HydrophobicContact CD1-CD2 4.15Å; T346-L370 WeakPolarHBondContact O-CD2 3.41Å; L349-L370 HydrophobicContact CB-CD2 3.98Å; L349-L370 HydrophobicContact CD2-CD1 4.38Å; L349-L370 HydrophobicContact CD2-CD2 4.08Å; L352-L370 HydrophobicContact CD2-CD1 4.01Å; M366-L370 HydrophobicContact CG-CD1 4.01Å; M366-L370 PolarHBondContact O-N 3.4Å; M366-L370 HydrophobicContact SD-CD1 4.35Å; L370-N372 VanDerWaalsContact C-N 3.32Å; L370-N372 PolarHBondContact O-N 3.49Å; L370-L373 HydrophobicContact CB-CB 4.22Å; L370-L373 HydrophobicContact CD1-CD2 4.27Å; L370-L373 PolarHBondContact O-N 3.46Å
371	P	90.8	Very high	93.4	Very high	49 Å²	49	40.6 Å²	40.6	32%	0.318	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.5	-174.7	28.8	-36.2	0	0	0	114.3	Q369 S394	Q369-P371 VanDerWaalsContact C-CD 3.45Å; Q369-P371 VanDerWaalsContact O-CD 3.28Å; Q369-P371 WeakPolarHBondContact O-CD 3.36Å; P371-S394 PolarHBondContact O-OG 3.14Å
372	N	93.4	Very high	93.5	Very high	78 Å²	78	42 Å²	42	42%	0.417	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5	-175.9	-62.4	-40.8	0	0	0	113.4	K347 L349 L370 Q374	K347-N372 PolarHBondContact O-ND2 3.47Å; L349-N372 CarbonylContact O-C 3.12Å; L370-N372 VanDerWaalsContact C-N 3.32Å; L370-N372 PolarHBondContact O-N 3.49Å; N372-Q374 PolarHBondContact O-N 2.88Å
373	L	95.2	Very high	93.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.			trans	-64.5	129.4	-173.9	-163.8	69.3	0	0	0	110.9	L349 L352 L370 L375 L376 S394 I395	L349-L373 HydrophobicContact CD2-CD1 4.14Å; L349-L373 HydrophobicContact CG-CD1 4.43Å; L349-L373 WeakPolarHBondContact O-CA 3.39Å; L349-L373 PolarHBondContact O-N 2.96Å; L352-L373 HydrophobicContact CB-CD1 3.77Å; L370-L373 HydrophobicContact CB-CB 4.22Å; L370-L373 HydrophobicContact CD1-CD2 4.27Å; L370-L373 PolarHBondContact O-N 3.46Å; L373-L375 WeakPolarHBondContact CD1-O 3.38Å; L373-L376 HydrophobicContact CD2-CB 4.03Å; L373-L376 HydrophobicContact CD2-CD1 4.14Å; L373-S394 CarbonylContact O-C 3.41Å; L373-S394 WeakPolarHBondContact O-CB 3.17Å; L373-I395 HydrophobicContact CB-CG1 4.24Å; L373-I395 HydrophobicContact CD2-CD1 4.17Å; L373-I395 HydrophobicContact CG-CG1 4.42Å; L373-I395 VanDerWaalsContact O-CA 3.31Å; L373-I395 WeakPolarHBondContact O-CA 3.4Å; L373-I395 WeakPolarHBondContact O-CG1 3.45Å; L373-I395 PolarHBondContact O-N 2.93Å
374	Q	95.6	Very high	93.7	Very high	77 Å²	77	43.8 Å²	43.8	36%	0.36	22%	0.224	S	C	.	.			trans	-111.8	-40.3	179.7	-58.1	-175.8	16.2	0	0	111.6	E350 N372 Q396 K397	E350-Q374 WeakPolarHBondContact O-CA 3.42Å; E350-Q374 WeakPolarHBondContact O-CB 3.37Å; E350-Q374 PolarHBondContact O-N 3.09Å; N372-Q374 PolarHBondContact O-N 2.88Å; Q374-Q396 PolarHBondContact O-N 3.15Å; Q374-K397 PolarHBondContact O-N 2.91Å; Q374-K397 VanDerWaalsContact O-N 3.1Å
375	L	96.6	Very high	93.8	Very high	19 Å²	19	42.5 Å²	42.5	10%	0.099	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.2	175.8	-176.2	143.6	0	0	0	110.4	E350 L352 L373 D377 K397 W538	E350-L375 PolarHBondContact O-N 3.34Å; E350-L375 VanDerWaalsContact O-N 3.13Å; L352-L375 PolarHBondContact N-O 2.94Å; L373-L375 WeakPolarHBondContact CD1-O 3.38Å; L375-D377 HydrophobicContact CD2-CB 3.96Å; L375-K397 HydrophobicContact CD1-CB 4.37Å; L375-K397 HydrophobicContact CD1-CD 3.91Å; L375-K397 HydrophobicContact CD1-CG 4.37Å; L375-K397 HydrophobicContact CG-CB 4.47Å; L375-W538 HydrophobicContact CB-CH2 4.26Å; L375-W538 HydrophobicContact CD1-CH2 3.6Å; L375-W538 HydrophobicContact CD1-CZ2 4.17Å; L375-W538 HydrophobicContact CD2-CH2 4.35Å; L375-W538 HydrophobicContact CD2-CZ2 4.46Å; L375-W538 HydrophobicContact CG-CH2 4.26Å
376	L	97	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	112.5	169.8	179.2	64.5	0	0	0	109.3	L352 M366 L373 L378 F389 K397 I398 D399	L352-L376 HydrophobicContact CB-CD1 4.27Å; L352-L376 HydrophobicContact CD2-CD1 3.96Å; L352-L376 HydrophobicContact CG-CD1 4.27Å; L352-L376 WeakPolarHBondContact O-CA 3.39Å; M366-L376 HydrophobicContact CE-CD2 4.12Å; L373-L376 HydrophobicContact CD2-CB 4.03Å; L373-L376 HydrophobicContact CD2-CD1 4.14Å; L376-L378 HydrophobicContact CD1-CD1 3.84Å; L376-L378 HydrophobicContact CD1-CD2 4.29Å; L376-L378 HydrophobicContact CD1-CG 3.81Å; L376-L378 HydrophobicContact CD2-CD1 4.18Å; L376-L378 HydrophobicContact CG-CD1 4.11Å; L376-L378 HydrophobicContact CG-CG 4.17Å; L376-F389 HydrophobicContact CD2-CD1 4.5Å; L376-F389 HydrophobicContact CD2-CE1 3.7Å; L376-F389 HydrophobicContact CD2-CZ 4.32Å; L376-K397 PolarHBondContact N-O 3.34Å; L376-I398 CarbonylContact O-C 3.47Å; L376-I398 WeakPolarHBondContact O-CA 3.39Å; L376-D399 PolarHBondContact O-N 2.83Å
377	D	97.5	Very high	94	Very high	30 Å²	30	42 Å²	42	16%	0.16	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	115	172.9	179.5	-1.3	0	0	0	109.7	L352 T353 I354 L375 S379 D399	L352-D377 PolarHBondContact O-N 3.08Å; T353-D377 CarbonylContact C-O 3.11Å; T353-D377 WeakPolarHBondContact CA-O 3.17Å; T353-D377 HydrophobicContact CG2-CB 4.06Å; I354-D377 PolarHBondContact N-O 2.67Å; L375-D377 HydrophobicContact CD2-CB 3.96Å; D377-S379 WeakPolarHBondContact OD1-CB 3.38Å; D377-S379 PolarHBondContact OD1-N 2.76Å; D377-S379 PolarHBondContact OD1-OG 3.05Å; D377-D399 HydrophobicContact CB-CB 4.17Å
378	L	96.8	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.			trans	-126.7	32.8	176.5	-61.1	170.8	0	0	0	110.5	F340 I354 L362 L376 N381 I383 D399 L400 N403	F340-L378 HydrophobicContact CE2-CD2 4.32Å; I354-L378 HydrophobicContact CB-CD2 3.82Å; I354-L378 HydrophobicContact CD1-CD2 4.39Å; I354-L378 HydrophobicContact CG1-CD2 4.23Å; I354-L378 WeakPolarHBondContact O-CA 3.17Å; L362-L378 HydrophobicContact CD1-CD1 3.61Å; L362-L378 HydrophobicContact CD2-CD1 3.54Å; L362-L378 HydrophobicContact CG-CD1 4.18Å; L376-L378 HydrophobicContact CD1-CD1 3.84Å; L376-L378 HydrophobicContact CD1-CD2 4.29Å; L376-L378 HydrophobicContact CD1-CG 3.81Å; L376-L378 HydrophobicContact CD2-CD1 4.18Å; L376-L378 HydrophobicContact CG-CD1 4.11Å; L376-L378 HydrophobicContact CG-CG 4.17Å; L378-N381 PolarHBondContact O-ND2 3.32Å; L378-I383 HydrophobicContact CB-CD1 3.88Å; L378-I383 HydrophobicContact CD1-CD1 4.1Å; L378-D399 PolarHBondContact N-O 2.76Å; L378-L400 HydrophobicContact CB-CD2 3.83Å; L378-L400 HydrophobicContact CD1-CD2 4.23Å; L378-N403 PolarHBondContact O-ND2 3.41Å
379	S	96.8	Very high	94.3	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.035	18%	0.182	C	C	.	.			trans	-63.2	158.7	179.7	59.5	0	0	0	0	113.2	T355 G356 D377 N381 H401	T355-S379 VanDerWaalsContact CA-O 3.31Å; T355-S379 WeakPolarHBondContact CA-O 3.25Å; T355-S379 WeakPolarHBondContact CG2-OG 3.38Å; G356-S379 PolarHBondContact N-O 3.09Å; D377-S379 WeakPolarHBondContact OD1-CB 3.38Å; D377-S379 PolarHBondContact OD1-N 2.76Å; D377-S379 PolarHBondContact OD1-OG 3.05Å; S379-N381 VanDerWaalsContact C-N 3.29Å; S379-N381 PolarHBondContact O-N 3.34Å; S379-N381 PolarHBondContact O-ND2 3.4Å; S379-N381 VanDerWaalsContact O-ND2 3.08Å; S379-H401 CarbonylContact C-O 3.57Å; S379-H401 VanDerWaalsContact CA-O 3.24Å; S379-H401 WeakPolarHBondContact CA-O 3.4Å; S379-H401 WeakPolarHBondContact CB-CE1 3.26Å; S379-H401 WeakPolarHBondContact CB-ND1 3.49Å
380	Y	96.3	Very high	94.3	Very high	125 Å²	125	37.5 Å²	37.5	49%	0.49	19%	0.194	S	C	.	.	S	Bend	trans	54.6	40.3	179.5	-64.5	-83.5	0	0	0	114.2	G356 H401 H402	G356-Y380 WeakPolarHBondContact CA-O 3.3Å; G356-Y380 PolarHBondContact N-O 3.24Å; Y380-H401 AromaticContact CD2-NE2 3.87Å; Y380-H401 AromaticContact CE2-CE1 3.88Å; Y380-H401 AromaticContact CE2-NE2 3.17Å; Y380-H401 WeakPolarHBondContact CE2-NE2 3.49Å; Y380-H401 AromaticContact CZ-NE2 3.7Å; Y380-H401 PolarHBondContact N-O 3.01Å; Y380-H402 WeakPolarHBondContact CA-O 3.35Å; Y380-H402 HydrophobicContact CD1-CB 3.66Å; Y380-H402 AromaticContact CD1-CD2 3.86Å; Y380-H402 AromaticContact CD1-CG 3.87Å; Y380-H402 HydrophobicContact CE1-CB 3.9Å; Y380-H402 AromaticContact CE1-CD2 3.14Å; Y380-H402 WeakPolarHBondContact CE1-CD2 3.47Å; Y380-H402 AromaticContact CE1-CG 3.56Å; Y380-H402 AromaticContact CE1-NE2 3.75Å; Y380-H402 AromaticContact CE2-CD2 4Å; Y380-H402 HydrophobicContact CG-CB 4.06Å; Y380-H402 AromaticContact CZ-CD2 3.23Å; Y380-H402 AromaticContact CZ-NE2 3.84Å; Y380-H402 PolarHBondContact OH-CD2 2.94Å; Y380-H402 VanDerWaalsContact OH-CD2 3.29Å; Y380-H402 PolarHBondContact OH-NE2 3.42Å
381	N	96.6	Very high	93.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.	S	Bend	trans	-111	-163.8	175	-83	-77.3	0	0	0	111.3	I354 A357 I359 L378 S379 I383 H402 N403	I354-N381 PolarHBondContact O-ND2 3.03Å; A357-N381 VanDerWaalsContact C-OD1 3.22Å; A357-N381 WeakPolarHBondContact CA-OD1 3.45Å; A357-N381 WeakPolarHBondContact CB-OD1 3.39Å; A357-N381 PolarHBondContact O-OD1 3.28Å; I359-N381 HydrophobicContact CB-CB 4.46Å; I359-N381 PolarHBondContact N-OD1 2.91Å; L378-N381 PolarHBondContact O-ND2 3.32Å; S379-N381 VanDerWaalsContact C-N 3.29Å; S379-N381 PolarHBondContact O-N 3.34Å; S379-N381 PolarHBondContact O-ND2 3.4Å; S379-N381 VanDerWaalsContact O-ND2 3.08Å; N381-I383 HydrophobicContact CB-CD1 4.23Å; N381-I383 HydrophobicContact CB-CG1 4.07Å; N381-H402 PolarHBondContact N-O 3.48Å; N381-N403 WeakPolarHBondContact CA-OD1 3.15Å; N381-N403 WeakPolarHBondContact CB-OD1 3.46Å; N381-N403 PolarHBondContact O-OD1 2.66Å
382	K	95.9	Very high	94	Very high	93 Å²	93	37 Å²	37	40%	0.404	20%	0.198	S	C	.	.			trans	-121.7	29.8	-180	-62.4	-65.2	175	-167.5	0	112	I359 T360 Q384 N403 E404	I359-K382 CarbonylContact O-C 3.59Å; I359-K382 VanDerWaalsContact O-CA 3.28Å; I359-K382 WeakPolarHBondContact O-CA 3.34Å; I359-K382 PolarHBondContact O-N 3.45Å; T360-K382 WeakPolarHBondContact CA-O 3.35Å; T360-K382 HydrophobicContact CG2-CB 4.39Å; K382-Q384 PolarHBondContact O-N 3.08Å; K382-N403 PolarHBondContact N-OD1 3.5Å; K382-E404 HydrophobicContact CD-CG 4.35Å; K382-E404 WeakPolarHBondContact CD-OE1 3.36Å; K382-E404 IonicContact NZ-OE1 3.38Å; K382-E404 PolarHBondContact NZ-OE1 2.72Å
383	I	96.3	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.			trans	-69.2	124.9	-173.8	-59.8	169.1	0	0	0	109.1	I359 T360 L362 L378 N381 L386 L400 N403 E404 I405	I359-I383 HydrophobicContact CG2-CG1 4.33Å; I359-I383 PolarHBondContact O-N 2.88Å; I359-I383 VanDerWaalsContact O-N 3.12Å; T360-I383 WeakPolarHBondContact O-CA 3.27Å; L362-I383 HydrophobicContact CD1-CD1 4.43Å; L362-I383 HydrophobicContact CD2-CD1 4.44Å; L362-I383 HydrophobicContact CG-CD1 4.41Å; L378-I383 HydrophobicContact CB-CD1 3.88Å; L378-I383 HydrophobicContact CD1-CD1 4.1Å; N381-I383 HydrophobicContact CB-CD1 4.23Å; N381-I383 HydrophobicContact CB-CG1 4.07Å; I383-L386 HydrophobicContact CG2-CD2 3.92Å; I383-L400 HydrophobicContact CD1-CD2 4.02Å; I383-N403 HydrophobicContact CB-CB 4.35Å; I383-N403 VanDerWaalsContact CB-OD1 3.31Å; I383-N403 WeakPolarHBondContact CB-OD1 3.18Å; I383-N403 WeakPolarHBondContact CG1-OD1 3.49Å; I383-N403 PolarHBondContact N-OD1 3.37Å; I383-E404 CarbonylContact O-C 3.36Å; I383-E404 WeakPolarHBondContact O-CA 3.48Å; I383-E404 PolarHBondContact O-N 2.69Å; I383-I405 HydrophobicContact CG2-CG1 4.33Å; I383-I405 WeakPolarHBondContact O-CG1 3.08Å; I383-I405 PolarHBondContact O-N 2.97Å; I383-I405 VanDerWaalsContact O-N 3.13Å
384	Q	93.1	Very high	93.7	Very high	99 Å²	99	42 Å²	42	46%	0.463	22%	0.224	S	C	.	.			trans	-101.4	-36	-179.9	-66.3	175.4	7.5	0	0	112.9	T360 K382 E404	T360-Q384 PolarHBondContact O-N 3.03Å; K382-Q384 PolarHBondContact O-N 3.08Å; Q384-E404 HydrophobicContact CG-CB 4.28Å
385	T	91.8	Very high	93.7	Very high	75 Å²	75	38.3 Å²	38.3	46%	0.46	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-135.2	141.6	-177.8	60.9	0	0	0	0	110.9
386	L	93.6	Very high	93.6	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.052	22%	0.215	C	C	.	.			trans	-100.1	139.3	178.4	-61.8	177.1	0	0	0	111.1	L362 I383 F389 L400 I405 L408 T412 F413	L362-L386 HydrophobicContact CD1-CD2 4.35Å; I383-L386 HydrophobicContact CG2-CD2 3.92Å; L386-F389 HydrophobicContact CB-CE2 4.29Å; L386-F389 HydrophobicContact CD1-CE2 4.35Å; L386-F389 HydrophobicContact CD2-CZ 4.39Å; L386-L400 HydrophobicContact CD1-CD1 3.84Å; L386-L400 HydrophobicContact CD2-CD1 3.79Å; L386-L400 HydrophobicContact CD2-CD2 4.26Å; L386-L400 HydrophobicContact CG-CD1 4.49Å; L386-I405 HydrophobicContact CD1-CD1 4.1Å; L386-I405 HydrophobicContact CD2-CD1 4.01Å; L386-I405 HydrophobicContact CG-CD1 4.12Å; L386-I405 HydrophobicContact CG-CG2 4.48Å; L386-L408 HydrophobicContact CD1-CD2 3.9Å; L386-T412 HydrophobicContact CB-CG2 3.85Å; L386-T412 HydrophobicContact CD1-CG2 4.04Å; L386-F413 HydrophobicContact CD1-CZ 4.2Å
387	P	93.4	Very high	93.6	Very high	23 Å²	23	43.2 Å²	43.2	15%	0.149	23%	0.228	C	C	.	.			trans	-74.5	-178.2	170.4	34.2	-36	0	0	0	111	L362	L362-P387 HydrophobicContact CB-CG 3.85Å; L362-P387 HydrophobicContact CD1-CG 4.47Å
388	S	91.6	Very high	93.5	Very high	33 Å²	33	41.8 Å²	41.8	23%	0.231	22%	0.22	C	C	.	.			trans	-75.7	127.3	166.6	-172.3	0	0	0	0	109.3	T390 N411	S388-T390 PolarHBondContact O-N 2.93Å; S388-T390 WeakPolarHBondContact OG-CB 3.35Å; S388-T390 WeakPolarHBondContact OG-CG2 3.28Å; S388-T390 PolarHBondContact OG-N 3.48Å; S388-T390 PolarHBondContact OG-OG1 3.49Å; S388-N411 PolarHBondContact OG-O 2.97Å
389	F	92.2	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.			trans	-86.2	13	173.5	-66.8	-75.6	0	0	0	113	L362 M366 C367 L376 L386 G391 C392 T412 F413 L416	L362-F389 HydrophobicContact CD1-CZ 4.38Å; M366-F389 HydrophobicContact CE-CE1 3.95Å; C367-F389 PolarHBondContact SG-O 2.8Å; L376-F389 HydrophobicContact CD2-CD1 4.5Å; L376-F389 HydrophobicContact CD2-CE1 3.7Å; L376-F389 HydrophobicContact CD2-CZ 4.32Å; L386-F389 HydrophobicContact CB-CE2 4.29Å; L386-F389 HydrophobicContact CD1-CE2 4.35Å; L386-F389 HydrophobicContact CD2-CZ 4.39Å; F389-G391 PolarHBondContact O-N 3.01Å; F389-C392 PolarHBondContact O-N 3.19Å; F389-C392 VanDerWaalsContact O-N 3.14Å; F389-T412 WeakPolarHBondContact CB-O 3.26Å; F389-T412 HydrophobicContact CD2-CG2 3.9Å; F389-T412 WeakPolarHBondContact CD2-O 3.33Å; F389-T412 HydrophobicContact CE2-CG2 3.93Å; F389-T412 PolarHBondContact N-O 3.05Å; F389-F413 AromaticContact CD2-CD1 3.87Å; F389-F413 HydrophobicContact CD2-CD1 3.87Å; F389-F413 AromaticContact CD2-CE1 3.87Å; F389-F413 HydrophobicContact CD2-CE1 3.87Å; F389-F413 HydrophobicContact CE2-CD1 4.34Å; F389-F413 AromaticContact CE2-CE1 3.87Å; F389-F413 HydrophobicContact CE2-CE1 3.87Å; F389-L416 HydrophobicContact CB-CD1 3.99Å; F389-L416 HydrophobicContact CB-CD2 4.3Å; F389-L416 HydrophobicContact CB-CG 4.46Å
390	T	86.9	Confident	93.6	Very high	71 Å²	71	42.3 Å²	42.3	44%	0.436	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	125.6	172.1	46.6	0	0	0	0	110.8	C367 S388 T414	C367-T390 WeakPolarHBondContact CB-O 3.33Å; S388-T390 PolarHBondContact O-N 2.93Å; S388-T390 WeakPolarHBondContact OG-CB 3.35Å; S388-T390 WeakPolarHBondContact OG-CG2 3.28Å; S388-T390 PolarHBondContact OG-N 3.48Å; S388-T390 PolarHBondContact OG-OG1 3.49Å; T390-T414 WeakPolarHBondContact CG2-OG1 3.18Å
391	G	85.6	Confident	93.6	Very high	39 Å²	39	37.9 Å²	37.9	40%	0.402	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.7	-21.9	-176.8	0	0	0	0	0	113.8	F389 E393	F389-G391 PolarHBondContact O-N 3.01Å; G391-E393 VanDerWaalsContact C-N 3.26Å; G391-E393 PolarHBondContact O-N 3.4Å; G391-E393 VanDerWaalsContact O-N 3.13Å
392	C	91.6	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.			trans	-86.3	56.8	173	-71	0	0	0	0	111.7	C367 F389 S394 I395 L416	C367-C392 WeakPolarHBondContact CA-SG 3.29Å; C367-C392 HydrophobicContact CB-CB 3.97Å; C367-C392 WeakPolarHBondContact CB-SG 3.39Å; C367-C392 WeakPolarHBondContact SG-CB 3.36Å; C367-C392 CovalentContact SG-SG 2.04Å; C367-C392 PolarHBondContact SG-SG 2.74Å; F389-C392 PolarHBondContact O-N 3.19Å; F389-C392 VanDerWaalsContact O-N 3.14Å; C392-S394 PolarHBondContact O-N 2.99Å; C392-S394 VanDerWaalsContact O-N 3.15Å; C392-I395 HydrophobicContact CB-CD1 3.33Å; C392-I395 HydrophobicContact CB-CG1 3.77Å; C392-I395 PolarHBondContact O-N 3.38Å; C392-L416 HydrophobicContact CB-CD2 4.41Å; C392-L416 WeakPolarHBondContact O-CD2 3.4Å
393	E	90	Very high	93.7	Very high	137 Å²	137	36.5 Å²	36.5	64%	0.64	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.1	-169.2	-62.9	-176.9	-179.8	0	0	114.5	G391 T418	G391-E393 VanDerWaalsContact C-N 3.26Å; G391-E393 PolarHBondContact O-N 3.4Å; G391-E393 VanDerWaalsContact O-N 3.13Å; E393-T418 PolarHBondContact O-OG1 3.17Å
394	S	93.1	Very high	93.7	Very high	45 Å²	45	38.7 Å²	38.7	32%	0.315	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.6	-177.6	-55.9	0	0	0	0	114	P371 L373 C392 Q396	P371-S394 PolarHBondContact O-OG 3.14Å; L373-S394 CarbonylContact O-C 3.41Å; L373-S394 WeakPolarHBondContact O-CB 3.17Å; C392-S394 PolarHBondContact O-N 2.99Å; C392-S394 VanDerWaalsContact O-N 3.15Å; S394-Q396 PolarHBondContact O-N 3.03Å
395	I	94.6	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.			trans	-67.6	125.1	-173.9	-70.4	-179.5	0	0	0	111.4	L373 C392 I398 T418 L419	L373-I395 HydrophobicContact CB-CG1 4.24Å; L373-I395 HydrophobicContact CD2-CD1 4.17Å; L373-I395 HydrophobicContact CG-CG1 4.42Å; L373-I395 VanDerWaalsContact O-CA 3.31Å; L373-I395 WeakPolarHBondContact O-CA 3.4Å; L373-I395 WeakPolarHBondContact O-CG1 3.45Å; L373-I395 PolarHBondContact O-N 2.93Å; C392-I395 HydrophobicContact CB-CD1 3.33Å; C392-I395 HydrophobicContact CB-CG1 3.77Å; C392-I395 PolarHBondContact O-N 3.38Å; I395-I398 HydrophobicContact CG2-CD1 3.96Å; I395-I398 HydrophobicContact CG2-CG1 3.53Å; I395-T418 CarbonylContact O-C 3.41Å; I395-T418 PolarHBondContact O-OG1 3.28Å; I395-L419 HydrophobicContact CG2-CD1 3.67Å; I395-L419 VanDerWaalsContact O-CA 3.27Å; I395-L419 WeakPolarHBondContact O-CA 3.11Å; I395-L419 PolarHBondContact O-N 3.13Å; I395-L419 VanDerWaalsContact O-N 3.16Å
396	Q	95.2	Very high	94	Very high	57 Å²	57	35.9 Å²	35.9	27%	0.266	19%	0.194	S	C	.	.			trans	-106	-31.8	177.2	-58.4	-177.4	25.6	0	0	112.9	Q374 S394 R420 S421	Q374-Q396 PolarHBondContact O-N 3.15Å; S394-Q396 PolarHBondContact O-N 3.03Å; Q396-R420 PolarHBondContact O-N 3.46Å; Q396-S421 PolarHBondContact O-N 3.3Å; Q396-S421 VanDerWaalsContact O-N 3.14Å
397	K	96.3	Very high	93.9	Very high	64 Å²	64	39.3 Å²	39.3	28%	0.278	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.4	-179.3	-178.3	171.6	173.9	-168.5	0	111.1	Q374 L375 L376 S421	Q374-K397 PolarHBondContact O-N 2.91Å; Q374-K397 VanDerWaalsContact O-N 3.1Å; L375-K397 HydrophobicContact CD1-CB 4.37Å; L375-K397 HydrophobicContact CD1-CD 3.91Å; L375-K397 HydrophobicContact CD1-CG 4.37Å; L375-K397 HydrophobicContact CG-CB 4.47Å; L376-K397 PolarHBondContact N-O 3.34Å; K397-S421 WeakPolarHBondContact CA-O 2.98Å
398	I	96.9	Very high	93.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.1	169.8	-63.7	174.3	0	0	0	107.9	L376 I395 L400 F413 L416 L419 S421 L422 D423	L376-I398 CarbonylContact O-C 3.47Å; L376-I398 WeakPolarHBondContact O-CA 3.39Å; I395-I398 HydrophobicContact CG2-CD1 3.96Å; I395-I398 HydrophobicContact CG2-CG1 3.53Å; I398-L400 HydrophobicContact CG2-CD1 3.58Å; I398-L400 HydrophobicContact CG2-CG 3.8Å; I398-F413 HydrophobicContact CD1-CD1 4.25Å; I398-F413 HydrophobicContact CD1-CE1 4.09Å; I398-L416 HydrophobicContact CD1-CD1 3.95Å; I398-L419 HydrophobicContact CB-CD1 4.34Å; I398-L419 HydrophobicContact CD1-CD1 3.91Å; I398-L419 HydrophobicContact CD1-CD2 4.39Å; I398-L419 HydrophobicContact CG1-CD1 3.75Å; I398-S421 PolarHBondContact N-O 3.23Å; I398-L422 HydrophobicContact CB-CD1 3.8Å; I398-L422 HydrophobicContact CG2-CD1 3.84Å; I398-L422 WeakPolarHBondContact O-CA 3.31Å; I398-D423 PolarHBondContact O-N 2.9Å
399	D	97.7	Very high	93.8	Very high	17 Å²	17	43.3 Å²	43.3	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.7	172.1	-165.4	-21.1	0	0	0	110.2	L376 D377 L378 H401	L376-D399 PolarHBondContact O-N 2.83Å; D377-D399 HydrophobicContact CB-CB 4.17Å; L378-D399 PolarHBondContact N-O 2.76Å; D399-H401 VanDerWaalsContact CG-ND1 3.3Å; D399-H401 IonicContact OD1-CE1 2.73Å; D399-H401 IonicContact OD1-CG 2.75Å; D399-H401 PolarHBondContact OD1-N 3.34Å; D399-H401 IonicContact OD1-ND1 2.86Å; D399-H401 PolarHBondContact OD1-ND1 3.14Å; D399-H401 IonicContact OD2-CE1 3.19Å; D399-H401 IonicContact OD2-ND1 2.79Å; D399-H401 PolarHBondContact OD2-ND1 2.78Å
400	L	97.1	Very high	93.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.			trans	-131.3	23.3	-178.9	-72.8	166	0	0	0	111	L378 I383 L386 I398 N403 I405 D423 L424 N427	L378-L400 HydrophobicContact CB-CD2 3.83Å; L378-L400 HydrophobicContact CD1-CD2 4.23Å; I383-L400 HydrophobicContact CD1-CD2 4.02Å; L386-L400 HydrophobicContact CD1-CD1 3.84Å; L386-L400 HydrophobicContact CD2-CD1 3.79Å; L386-L400 HydrophobicContact CD2-CD2 4.26Å; L386-L400 HydrophobicContact CG-CD1 4.49Å; I398-L400 HydrophobicContact CG2-CD1 3.58Å; I398-L400 HydrophobicContact CG2-CG 3.8Å; L400-N403 PolarHBondContact O-ND2 2.83Å; L400-I405 HydrophobicContact CB-CD1 4.17Å; L400-I405 HydrophobicContact CD1-CD1 4.39Å; L400-D423 PolarHBondContact N-O 2.99Å; L400-L424 HydrophobicContact CB-CD2 3.82Å; L400-L424 HydrophobicContact CD1-CD2 3.91Å; L400-N427 PolarHBondContact O-ND2 3.48Å
401	H	96.6	Very high	93.5	Very high	31 Å²	31	48.4 Å²	48.4	14%	0.144	24%	0.238	C	C	.	.			trans	-66.8	156	-177.6	78.8	-80.3	0	0	0	113	S379 Y380 D399 N403 S425	S379-H401 CarbonylContact C-O 3.57Å; S379-H401 VanDerWaalsContact CA-O 3.24Å; S379-H401 WeakPolarHBondContact CA-O 3.4Å; S379-H401 WeakPolarHBondContact CB-CE1 3.26Å; S379-H401 WeakPolarHBondContact CB-ND1 3.49Å; Y380-H401 AromaticContact CD2-NE2 3.87Å; Y380-H401 AromaticContact CE2-CE1 3.88Å; Y380-H401 AromaticContact CE2-NE2 3.17Å; Y380-H401 WeakPolarHBondContact CE2-NE2 3.49Å; Y380-H401 AromaticContact CZ-NE2 3.7Å; Y380-H401 PolarHBondContact N-O 3.01Å; D399-H401 VanDerWaalsContact CG-ND1 3.3Å; D399-H401 IonicContact OD1-CE1 2.73Å; D399-H401 IonicContact OD1-CG 2.75Å; D399-H401 PolarHBondContact OD1-N 3.34Å; D399-H401 IonicContact OD1-ND1 2.86Å; D399-H401 PolarHBondContact OD1-ND1 3.14Å; D399-H401 IonicContact OD2-CE1 3.19Å; D399-H401 IonicContact OD2-ND1 2.79Å; D399-H401 PolarHBondContact OD2-ND1 2.78Å; H401-N403 PolarHBondContact O-N 2.83Å; H401-N403 PolarHBondContact O-ND2 2.9Å; H401-S425 CarbonylContact C-O 3.54Å; H401-S425 WeakPolarHBondContact CA-O 3.34Å; H401-S425 WeakPolarHBondContact CB-OG 3.48Å
402	H	97.3	Very high	93.7	Very high	58 Å²	58	46.7 Å²	46.7	27%	0.269	22%	0.219	S	C	.	.	S	Bend	trans	54.7	48.9	-176.4	-73	-67.7	0	0	0	113.9	Y380 N381 S425 W426	Y380-H402 WeakPolarHBondContact CA-O 3.35Å; Y380-H402 HydrophobicContact CD1-CB 3.66Å; Y380-H402 AromaticContact CD1-CD2 3.86Å; Y380-H402 AromaticContact CD1-CG 3.87Å; Y380-H402 HydrophobicContact CE1-CB 3.9Å; Y380-H402 AromaticContact CE1-CD2 3.14Å; Y380-H402 WeakPolarHBondContact CE1-CD2 3.47Å; Y380-H402 AromaticContact CE1-CG 3.56Å; Y380-H402 AromaticContact CE1-NE2 3.75Å; Y380-H402 AromaticContact CE2-CD2 4Å; Y380-H402 HydrophobicContact CG-CB 4.06Å; Y380-H402 AromaticContact CZ-CD2 3.23Å; Y380-H402 AromaticContact CZ-NE2 3.84Å; Y380-H402 PolarHBondContact OH-CD2 2.94Å; Y380-H402 VanDerWaalsContact OH-CD2 3.29Å; Y380-H402 PolarHBondContact OH-NE2 3.42Å; N381-H402 PolarHBondContact N-O 3.48Å; H402-S425 PolarHBondContact N-O 2.77Å; H402-W426 WeakPolarHBondContact CA-O 3.37Å; H402-W426 HydrophobicContact CB-CB 4.44Å; H402-W426 AromaticContact CE1-CD1 3.71Å; H402-W426 AromaticContact CE1-CD2 3.44Å; H402-W426 VanDerWaalsContact CE1-CD2 3.44Å; H402-W426 AromaticContact CE1-CE2 3.96Å; H402-W426 AromaticContact CE1-CE3 3.92Å; H402-W426 AromaticContact CE1-CG 3.29Å; H402-W426 VanDerWaalsContact ND1-CB 3.3Å; H402-W426 WeakPolarHBondContact ND1-CB 3.21Å; H402-W426 AromaticContact ND1-CG 3.59Å; H402-W426 AromaticContact NE2-CD1 3.78Å; H402-W426 AromaticContact NE2-CG 3.81Å
403	N	97.6	Very high	93.7	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	22%	0.22	C	C	.	.	S	Bend	trans	-115.9	-169.7	172.2	-86.3	-78.5	0	0	0	111.2	L378 N381 K382 I383 L400 H401 I405 N427	L378-N403 PolarHBondContact O-ND2 3.41Å; N381-N403 WeakPolarHBondContact CA-OD1 3.15Å; N381-N403 WeakPolarHBondContact CB-OD1 3.46Å; N381-N403 PolarHBondContact O-OD1 2.66Å; K382-N403 PolarHBondContact N-OD1 3.5Å; I383-N403 HydrophobicContact CB-CB 4.35Å; I383-N403 VanDerWaalsContact CB-OD1 3.31Å; I383-N403 WeakPolarHBondContact CB-OD1 3.18Å; I383-N403 WeakPolarHBondContact CG1-OD1 3.49Å; I383-N403 PolarHBondContact N-OD1 3.37Å; L400-N403 PolarHBondContact O-ND2 2.83Å; H401-N403 PolarHBondContact O-N 2.83Å; H401-N403 PolarHBondContact O-ND2 2.9Å; N403-I405 HydrophobicContact CB-CD1 4.21Å; N403-I405 HydrophobicContact CB-CG1 4.11Å; N403-N427 WeakPolarHBondContact CA-OD1 3.25Å; N403-N427 WeakPolarHBondContact CB-OD1 3.09Å; N403-N427 PolarHBondContact O-OD1 3.31Å
404	E	96.7	Very high	93.6	Very high	46 Å²	46	42.6 Å²	42.6	22%	0.215	20%	0.204	C	C	.	.			trans	-118.1	31.7	-177.8	-63.8	-179	-179.7	0	0	111.6	K382 I383 Q384 E406 N427	K382-E404 HydrophobicContact CD-CG 4.35Å; K382-E404 WeakPolarHBondContact CD-OE1 3.36Å; K382-E404 IonicContact NZ-OE1 3.38Å; K382-E404 PolarHBondContact NZ-OE1 2.72Å; I383-E404 CarbonylContact O-C 3.36Å; I383-E404 WeakPolarHBondContact O-CA 3.48Å; I383-E404 PolarHBondContact O-N 2.69Å; Q384-E404 HydrophobicContact CG-CB 4.28Å; E404-E406 PolarHBondContact O-N 2.87Å; E404-N427 PolarHBondContact N-OD1 3.29Å
405	I	96.3	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.			trans	-72.5	126.4	-174.9	-54.3	165.2	0	0	0	109.9	I383 L386 L400 N403 L408 L424 N427 R428 L429	I383-I405 HydrophobicContact CG2-CG1 4.33Å; I383-I405 WeakPolarHBondContact O-CG1 3.08Å; I383-I405 PolarHBondContact O-N 2.97Å; I383-I405 VanDerWaalsContact O-N 3.13Å; L386-I405 HydrophobicContact CD1-CD1 4.1Å; L386-I405 HydrophobicContact CD2-CD1 4.01Å; L386-I405 HydrophobicContact CG-CD1 4.12Å; L386-I405 HydrophobicContact CG-CG2 4.48Å; L400-I405 HydrophobicContact CB-CD1 4.17Å; L400-I405 HydrophobicContact CD1-CD1 4.39Å; N403-I405 HydrophobicContact CB-CD1 4.21Å; N403-I405 HydrophobicContact CB-CG1 4.11Å; I405-L408 HydrophobicContact CG2-CD2 4.48Å; I405-L424 HydrophobicContact CD1-CD2 3.94Å; I405-N427 HydrophobicContact CB-CB 4.39Å; I405-N427 WeakPolarHBondContact CB-OD1 3.3Å; I405-N427 WeakPolarHBondContact CD1-OD1 3.18Å; I405-N427 VanDerWaalsContact CG1-OD1 3.25Å; I405-N427 WeakPolarHBondContact CG1-OD1 3.22Å; I405-N427 PolarHBondContact N-OD1 2.98Å; I405-R428 CarbonylContact O-C 3.57Å; I405-R428 WeakPolarHBondContact O-CA 3.39Å; I405-R428 PolarHBondContact O-N 3.2Å; I405-L429 HydrophobicContact CB-CD2 4.26Å; I405-L429 HydrophobicContact CG2-CD2 3.69Å; I405-L429 PolarHBondContact O-N 3.24Å
406	E	93.1	Very high	93	Very high	116 Å²	116	42.2 Å²	42.2	54%	0.542	21%	0.207	S	C	.	.			trans	-99.9	-33	-174.2	-61.9	-172.6	167.9	0	0	114.5	E404 R428 L429 S430	E404-E406 PolarHBondContact O-N 2.87Å; E406-R428 HydrophobicContact CG-CB 4.37Å; E406-L429 WeakPolarHBondContact O-CA 3.32Å; E406-S430 PolarHBondContact O-N 3.23Å; E406-S430 PolarHBondContact O-OG 2.92Å
407	E	91.9	Very high	92.7	Very high	82 Å²	82	44.1 Å²	44.1	38%	0.383	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	142.3	-175.6	-177.1	179.7	-155.4	0	0	111.3	K433	E407-K433 WeakPolarHBondContact OE1-CE 3.44Å; E407-K433 IonicContact OE1-NZ 2.76Å; E407-K433 PolarHBondContact OE1-NZ 2.83Å
408	L	92.3	Very high	92.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.4	168.3	-63.8	177	0	0	0	110.6	L386 I405 F413 L424 L429 V432 K433 S436 F437	L386-L408 HydrophobicContact CD1-CD2 3.9Å; I405-L408 HydrophobicContact CG2-CD2 4.48Å; L408-F413 HydrophobicContact CD1-CE2 4.27Å; L408-F413 HydrophobicContact CD2-CE2 4.07Å; L408-F413 HydrophobicContact CD2-CZ 4.33Å; L408-L424 HydrophobicContact CD1-CD1 3.82Å; L408-L424 HydrophobicContact CD2-CD1 4.24Å; L408-L429 HydrophobicContact CD1-CD1 4.37Å; L408-L429 HydrophobicContact CD2-CD2 4.27Å; L408-L429 HydrophobicContact CG-CD1 4.47Å; L408-L429 HydrophobicContact CG-CD2 3.88Å; L408-V432 HydrophobicContact CB-CG1 4.3Å; L408-V432 HydrophobicContact CD1-CG1 4.07Å; L408-V432 HydrophobicContact CD1-CG2 4.01Å; L408-K433 WeakPolarHBondContact O-CG 3.33Å; L408-S436 PolarHBondContact O-OG 2.89Å; L408-F437 HydrophobicContact CD1-CE1 4.08Å; L408-F437 HydrophobicContact CD1-CZ 3.92Å
409	R	90.3	Very high	92.4	Very high	140 Å²	140	43.7 Å²	43.7	53%	0.528	22%	0.22	S	C	.	.			trans	-81.1	163.1	176.2	-61.5	-178.9	-178.7	161.2	2.5	110.8	N411 T412 S436	R409-N411 VanDerWaalsContact C-N 3.32Å; R409-N411 PolarHBondContact O-N 3.15Å; R409-T412 PolarHBondContact O-OG1 3.24Å; R409-S436 PolarHBondContact O-OG 3.5Å
410	E	87.1	Confident	92.2	Very high	95 Å²	95	48.3 Å²	48.3	44%	0.444	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.1	-178.8	-67.7	-174.5	-178.5	0	0	112.9	K433 N435	E410-K433 HydrophobicContact CG-CB 3.48Å; E410-K433 VanDerWaalsContact CG-CB 3.48Å; E410-K433 HydrophobicContact CG-CG 4.05Å; E410-N435 HydrophobicContact CG-CB 4.33Å
411	N	86.2	Confident	92.2	Very high	83 Å²	83	49.6 Å²	49.6	44%	0.444	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.1	-175.7	63.7	-24.6	0	0	0	114.4	S388 R409 F413 T414	S388-N411 PolarHBondContact OG-O 2.97Å; R409-N411 VanDerWaalsContact C-N 3.32Å; R409-N411 PolarHBondContact O-N 3.15Å; N411-F413 PolarHBondContact O-N 2.74Å; N411-T414 HydrophobicContact CB-CG2 4.47Å; N411-T414 PolarHBondContact O-N 3.31Å; N411-T414 PolarHBondContact O-OG1 3.12Å
412	T	90.3	Very high	92.1	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-49.2	-172.4	-62.5	0	0	0	0	112.6	L386 F389 R409	L386-T412 HydrophobicContact CB-CG2 3.85Å; L386-T412 HydrophobicContact CD1-CG2 4.04Å; F389-T412 WeakPolarHBondContact CB-O 3.26Å; F389-T412 HydrophobicContact CD2-CG2 3.9Å; F389-T412 WeakPolarHBondContact CD2-O 3.33Å; F389-T412 HydrophobicContact CE2-CG2 3.93Å; F389-T412 PolarHBondContact N-O 3.05Å; R409-T412 PolarHBondContact O-OG1 3.24Å
413	F	91.3	Very high	92.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	23.1	-175.4	-56.1	-63	0	0	0	113.8	L386 F389 I398 L408 N411 G415 L416 L422 L424 F437 L440	L386-F413 HydrophobicContact CD1-CZ 4.2Å; F389-F413 AromaticContact CD2-CD1 3.87Å; F389-F413 HydrophobicContact CD2-CD1 3.87Å; F389-F413 AromaticContact CD2-CE1 3.87Å; F389-F413 HydrophobicContact CD2-CE1 3.87Å; F389-F413 HydrophobicContact CE2-CD1 4.34Å; F389-F413 AromaticContact CE2-CE1 3.87Å; F389-F413 HydrophobicContact CE2-CE1 3.87Å; I398-F413 HydrophobicContact CD1-CD1 4.25Å; I398-F413 HydrophobicContact CD1-CE1 4.09Å; L408-F413 HydrophobicContact CD1-CE2 4.27Å; L408-F413 HydrophobicContact CD2-CE2 4.07Å; L408-F413 HydrophobicContact CD2-CZ 4.33Å; N411-F413 PolarHBondContact O-N 2.74Å; F413-G415 PolarHBondContact O-N 2.84Å; F413-L416 HydrophobicContact CB-CD1 4.1Å; F413-L416 HydrophobicContact CD1-CD1 3.88Å; F413-L416 HydrophobicContact CG-CD1 4.49Å; F413-L422 HydrophobicContact CE1-CD1 4.2Å; F413-L422 HydrophobicContact CE2-CD2 4.08Å; F413-L422 HydrophobicContact CZ-CD1 4.09Å; F413-L422 HydrophobicContact CZ-CD2 4.09Å; F413-L424 HydrophobicContact CZ-CD1 4.34Å; F413-F437 HydrophobicContact CE2-CE1 4.4Å; F413-L440 HydrophobicContact CB-CD1 4.29Å; F413-L440 HydrophobicContact CB-CD2 4.01Å; F413-L440 HydrophobicContact CB-CG 4.37Å
414	T	87.7	Confident	92.1	Very high	50 Å²	50	46.5 Å²	46.5	31%	0.307	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	133.2	-178.3	51.3	0	0	0	0	111.6	T390 N411	T390-T414 WeakPolarHBondContact CG2-OG1 3.18Å; N411-T414 HydrophobicContact CB-CG2 4.47Å; N411-T414 PolarHBondContact O-N 3.31Å; N411-T414 PolarHBondContact O-OG1 3.12Å
415	G	84	Confident	92.1	Very high	36 Å²	36	44.6 Å²	44.6	37%	0.371	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-2.4	178.7	0	0	0	0	0	115.9	F413 M417	F413-G415 PolarHBondContact O-N 2.84Å; G415-M417 VanDerWaalsContact C-N 3.29Å; G415-M417 PolarHBondContact O-N 3.25Å
416	L	91.1	Very high	92.1	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.248	C	C	.	.			trans	-82.8	65.9	-178.8	-57.7	-175.9	0	0	0	112.8	F389 C392 I398 F413 T418 L419 L440	F389-L416 HydrophobicContact CB-CD1 3.99Å; F389-L416 HydrophobicContact CB-CD2 4.3Å; F389-L416 HydrophobicContact CB-CG 4.46Å; C392-L416 HydrophobicContact CB-CD2 4.41Å; C392-L416 WeakPolarHBondContact O-CD2 3.4Å; I398-L416 HydrophobicContact CD1-CD1 3.95Å; F413-L416 HydrophobicContact CB-CD1 4.1Å; F413-L416 HydrophobicContact CD1-CD1 3.88Å; F413-L416 HydrophobicContact CG-CD1 4.49Å; L416-T418 PolarHBondContact O-N 3.07Å; L416-L419 HydrophobicContact CB-CB 4.13Å; L416-L419 HydrophobicContact CD1-CD2 4.37Å; L416-L419 PolarHBondContact O-N 3.14Å; L416-L440 HydrophobicContact CB-CD2 3.82Å
417	M	89.4	Confident	92.3	Very high	97 Å²	97	46.2 Å²	46.2	48%	0.478	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-20.4	-175.5	-61.3	-64	176.5	0	0	113.7	G415 A439 T441 S442	G415-M417 VanDerWaalsContact C-N 3.29Å; G415-M417 PolarHBondContact O-N 3.25Å; M417-A439 VanDerWaalsContact SD-O 3.32Å; M417-T441 HydrophobicContact SD-CG2 4.16Å; M417-S442 WeakPolarHBondContact O-CB 3.42Å; M417-S442 PolarHBondContact O-OG 3.45Å
418	T	92.4	Very high	92.5	Very high	55 Å²	55	48.2 Å²	48.2	34%	0.337	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-7.8	-176.9	53	0	0	0	0	113.2	E393 I395 L416 R420	E393-T418 PolarHBondContact O-OG1 3.17Å; I395-T418 CarbonylContact O-C 3.41Å; I395-T418 PolarHBondContact O-OG1 3.28Å; L416-T418 PolarHBondContact O-N 3.07Å; T418-R420 PolarHBondContact O-N 3.49Å
419	L	94.1	Very high	92.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.229	C	C	.	.			trans	-65.5	122.5	-176.5	-170.8	74.1	0	0	0	111.1	I395 I398 L416 L422 L440 S442 L443	I395-L419 HydrophobicContact CG2-CD1 3.67Å; I395-L419 VanDerWaalsContact O-CA 3.27Å; I395-L419 WeakPolarHBondContact O-CA 3.11Å; I395-L419 PolarHBondContact O-N 3.13Å; I395-L419 VanDerWaalsContact O-N 3.16Å; I398-L419 HydrophobicContact CB-CD1 4.34Å; I398-L419 HydrophobicContact CD1-CD1 3.91Å; I398-L419 HydrophobicContact CD1-CD2 4.39Å; I398-L419 HydrophobicContact CG1-CD1 3.75Å; L416-L419 HydrophobicContact CB-CB 4.13Å; L416-L419 HydrophobicContact CD1-CD2 4.37Å; L416-L419 PolarHBondContact O-N 3.14Å; L419-L422 HydrophobicContact CD2-CB 4.34Å; L419-L440 HydrophobicContact CB-CD2 4.16Å; L419-L440 HydrophobicContact CD2-CD1 4.12Å; L419-L440 HydrophobicContact CD2-CD2 3.63Å; L419-L440 HydrophobicContact CD2-CG 4.49Å; L419-S442 CarbonylContact O-C 3.58Å; L419-L443 HydrophobicContact CD2-CD1 4.09Å; L419-L443 HydrophobicContact CG-CD1 4.13Å; L419-L443 VanDerWaalsContact O-CA 3.27Å; L419-L443 WeakPolarHBondContact O-CA 3.28Å; L419-L443 PolarHBondContact O-N 3.4Å; L419-L443 VanDerWaalsContact O-N 3.13Å
420	R	94.1	Very high	92.7	Very high	113 Å²	113	44.3 Å²	44.3	43%	0.426	22%	0.223	S	C	.	.			trans	-107.7	-33.2	-178.8	-63.3	-178.8	-176.5	-179.6	-0.2	112.8	Q396 T418 S444 K445	Q396-R420 PolarHBondContact O-N 3.46Å; T418-R420 PolarHBondContact O-N 3.49Å; R420-S444 WeakPolarHBondContact O-CA 3.47Å; R420-S444 PolarHBondContact O-N 3.4Å; R420-S444 PolarHBondContact O-OG 2.92Å; R420-K445 PolarHBondContact O-N 3.35Å
421	S	95.6	Very high	92.7	Very high	27 Å²	27	41.8 Å²	41.8	19%	0.189	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	129.4	-175.5	-172.3	0	0	0	0	111.1	Q396 K397 I398 K445	Q396-S421 PolarHBondContact O-N 3.3Å; Q396-S421 VanDerWaalsContact O-N 3.14Å; K397-S421 WeakPolarHBondContact CA-O 2.98Å; I398-S421 PolarHBondContact N-O 3.23Å; S421-K445 WeakPolarHBondContact CA-O 3.34Å
422	L	96.4	Very high	92.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	116.9	175.6	177.9	60.5	0	0	0	109.5	I398 F413 L419 L424 F437 L443 K445 L446 D447	I398-L422 HydrophobicContact CB-CD1 3.8Å; I398-L422 HydrophobicContact CG2-CD1 3.84Å; I398-L422 WeakPolarHBondContact O-CA 3.31Å; F413-L422 HydrophobicContact CE1-CD1 4.2Å; F413-L422 HydrophobicContact CE2-CD2 4.08Å; F413-L422 HydrophobicContact CZ-CD1 4.09Å; F413-L422 HydrophobicContact CZ-CD2 4.09Å; L419-L422 HydrophobicContact CD2-CB 4.34Å; L422-L424 HydrophobicContact CD1-CD1 4.11Å; L422-L424 HydrophobicContact CD1-CG 4.06Å; L422-L424 HydrophobicContact CD2-CD1 3.89Å; L422-L424 HydrophobicContact CG-CD1 3.97Å; L422-L424 HydrophobicContact CG-CG 4.19Å; L422-F437 HydrophobicContact CD2-CE1 4.02Å; L422-L443 HydrophobicContact CB-CD1 3.92Å; L422-K445 PolarHBondContact N-O 2.74Å; L422-L446 HydrophobicContact CB-CD1 4.12Å; L422-L446 HydrophobicContact CD2-CD1 3.96Å; L422-L446 HydrophobicContact CG-CD1 4.1Å; L422-L446 WeakPolarHBondContact O-CA 3.37Å; L422-D447 PolarHBondContact O-N 2.92Å
423	D	97.4	Very high	92.9	Very high	30 Å²	30	41.7 Å²	41.7	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.9	173.3	-163	-26.6	0	0	0	110.4	I398 L400 S425 D447	I398-D423 PolarHBondContact O-N 2.9Å; L400-D423 PolarHBondContact N-O 2.99Å; D423-S425 WeakPolarHBondContact OD1-CB 3.1Å; D423-S425 PolarHBondContact OD1-N 3.11Å; D423-S425 PolarHBondContact OD1-OG 3.01Å; D423-D447 HydrophobicContact CB-CB 4.39Å
424	L	96.9	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.			trans	-128.2	23.3	176.8	-74.4	166.1	0	0	0	110.2	L400 I405 L408 F413 L422 N427 L429 D447 L448 N451	L400-L424 HydrophobicContact CB-CD2 3.82Å; L400-L424 HydrophobicContact CD1-CD2 3.91Å; I405-L424 HydrophobicContact CD1-CD2 3.94Å; L408-L424 HydrophobicContact CD1-CD1 3.82Å; L408-L424 HydrophobicContact CD2-CD1 4.24Å; F413-L424 HydrophobicContact CZ-CD1 4.34Å; L422-L424 HydrophobicContact CD1-CD1 4.11Å; L422-L424 HydrophobicContact CD1-CG 4.06Å; L422-L424 HydrophobicContact CD2-CD1 3.89Å; L422-L424 HydrophobicContact CG-CD1 3.97Å; L422-L424 HydrophobicContact CG-CG 4.19Å; L424-N427 PolarHBondContact O-ND2 2.9Å; L424-N427 VanDerWaalsContact O-ND2 3.15Å; L424-L429 HydrophobicContact CB-CD1 4.15Å; L424-L429 HydrophobicContact CD1-CD1 4.45Å; L424-D447 CarbonylContact C-O 2.95Å; L424-D447 PolarHBondContact N-O 3.29Å; L424-L448 HydrophobicContact CB-CD2 3.76Å; L424-L448 HydrophobicContact CD1-CD2 4.04Å; L424-N451 PolarHBondContact O-ND2 3.38Å
425	S	96.6	Very high	92.6	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.042	24%	0.24	C	C	.	.			trans	-65.5	158	-179.3	62.9	0	0	0	0	112.5	H401 H402 D423 N427 D447 S449	H401-S425 CarbonylContact C-O 3.54Å; H401-S425 WeakPolarHBondContact CA-O 3.34Å; H401-S425 WeakPolarHBondContact CB-OG 3.48Å; H402-S425 PolarHBondContact N-O 2.77Å; D423-S425 WeakPolarHBondContact OD1-CB 3.1Å; D423-S425 PolarHBondContact OD1-N 3.11Å; D423-S425 PolarHBondContact OD1-OG 3.01Å; S425-N427 VanDerWaalsContact C-N 3.29Å; S425-N427 PolarHBondContact O-N 3.42Å; S425-N427 PolarHBondContact O-ND2 3.44Å; S425-D447 WeakPolarHBondContact CB-OD1 3.44Å; S425-S449 CarbonylContact C-O 3.26Å; S425-S449 WeakPolarHBondContact CA-O 3.47Å; S425-S449 WeakPolarHBondContact CB-OG 3.3Å
426	W	96.9	Very high	92.7	Very high	141 Å²	141	44.9 Å²	44.9	53%	0.534	22%	0.223	S	C	.	.	S	Bend	trans	53	43.6	178.1	-65.2	93.1	0	0	0	114.2	H402 S449 S450	H402-W426 WeakPolarHBondContact CA-O 3.37Å; H402-W426 HydrophobicContact CB-CB 4.44Å; H402-W426 AromaticContact CE1-CD1 3.71Å; H402-W426 AromaticContact CE1-CD2 3.44Å; H402-W426 VanDerWaalsContact CE1-CD2 3.44Å; H402-W426 AromaticContact CE1-CE2 3.96Å; H402-W426 AromaticContact CE1-CE3 3.92Å; H402-W426 AromaticContact CE1-CG 3.29Å; H402-W426 VanDerWaalsContact ND1-CB 3.3Å; H402-W426 WeakPolarHBondContact ND1-CB 3.21Å; H402-W426 AromaticContact ND1-CG 3.59Å; H402-W426 AromaticContact NE2-CD1 3.78Å; H402-W426 AromaticContact NE2-CG 3.81Å; W426-S449 PolarHBondContact N-O 3.27Å; W426-S450 WeakPolarHBondContact CA-O 3.47Å; W426-S450 VanDerWaalsContact CD2-CB 3.48Å
427	N	97.2	Very high	92.7	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.053	22%	0.223	C	C	.	.	S	Bend	trans	-109.9	-168.6	173.8	-87.2	-82.8	0	0	0	110.4	L400 N403 E404 I405 L424 S425 L429 N451	L400-N427 PolarHBondContact O-ND2 3.48Å; N403-N427 WeakPolarHBondContact CA-OD1 3.25Å; N403-N427 WeakPolarHBondContact CB-OD1 3.09Å; N403-N427 PolarHBondContact O-OD1 3.31Å; E404-N427 PolarHBondContact N-OD1 3.29Å; I405-N427 HydrophobicContact CB-CB 4.39Å; I405-N427 WeakPolarHBondContact CB-OD1 3.3Å; I405-N427 WeakPolarHBondContact CD1-OD1 3.18Å; I405-N427 VanDerWaalsContact CG1-OD1 3.25Å; I405-N427 WeakPolarHBondContact CG1-OD1 3.22Å; I405-N427 PolarHBondContact N-OD1 2.98Å; L424-N427 PolarHBondContact O-ND2 2.9Å; L424-N427 VanDerWaalsContact O-ND2 3.15Å; S425-N427 VanDerWaalsContact C-N 3.29Å; S425-N427 PolarHBondContact O-N 3.42Å; S425-N427 PolarHBondContact O-ND2 3.44Å; N427-L429 HydrophobicContact CB-CG 4.21Å; N427-N451 VanDerWaalsContact CA-OD1 3.3Å; N427-N451 WeakPolarHBondContact CA-OD1 3.3Å; N427-N451 WeakPolarHBondContact CB-OD1 3.33Å; N427-N451 PolarHBondContact N-OD1 3.22Å; N427-N451 PolarHBondContact O-OD1 3.42Å
428	R	95.6	Very high	92.5	Very high	124 Å²	124	47.1 Å²	47.1	47%	0.468	23%	0.23	S	C	.	.			trans	-113	28.1	177.6	-61.9	179.8	-177.4	-107.3	0.8	111.5	I405 E406 S430 N451	I405-R428 CarbonylContact O-C 3.57Å; I405-R428 WeakPolarHBondContact O-CA 3.39Å; I405-R428 PolarHBondContact O-N 3.2Å; E406-R428 HydrophobicContact CG-CB 4.37Å; R428-S430 PolarHBondContact O-N 3.25Å; R428-S430 VanDerWaalsContact O-N 3.11Å; R428-N451 PolarHBondContact N-OD1 2.73Å
429	L	94.9	Very high	91.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.			trans	-64	116.4	-173.2	-68	171.8	0	0	0	110.4	I405 E406 L408 L424 N427 L448 N451 Q452 L453	I405-L429 HydrophobicContact CB-CD2 4.26Å; I405-L429 HydrophobicContact CG2-CD2 3.69Å; I405-L429 PolarHBondContact O-N 3.24Å; E406-L429 WeakPolarHBondContact O-CA 3.32Å; L408-L429 HydrophobicContact CD1-CD1 4.37Å; L408-L429 HydrophobicContact CD2-CD2 4.27Å; L408-L429 HydrophobicContact CG-CD1 4.47Å; L408-L429 HydrophobicContact CG-CD2 3.88Å; L424-L429 HydrophobicContact CB-CD1 4.15Å; L424-L429 HydrophobicContact CD1-CD1 4.45Å; N427-L429 HydrophobicContact CB-CG 4.21Å; L429-L448 HydrophobicContact CD1-CD2 3.85Å; L429-N451 HydrophobicContact CB-CB 4.15Å; L429-N451 VanDerWaalsContact CB-OD1 3.22Å; L429-N451 WeakPolarHBondContact CB-OD1 3.4Å; L429-N451 WeakPolarHBondContact CG-OD1 3.24Å; L429-N451 PolarHBondContact N-OD1 3Å; L429-Q452 CarbonylContact O-C 3.18Å; L429-Q452 VanDerWaalsContact O-CA 3.25Å; L429-Q452 WeakPolarHBondContact O-CA 3.39Å; L429-Q452 WeakPolarHBondContact O-CB 3.44Å; L429-Q452 PolarHBondContact O-N 3.43Å; L429-L453 HydrophobicContact CB-CD2 3.94Å; L429-L453 HydrophobicContact CB-CG 4.47Å; L429-L453 PolarHBondContact O-N 3.48Å
430	S	91.6	Very high	91.7	Very high	58 Å²	58	45.4 Å²	45.4	41%	0.406	22%	0.222	S	C	.	.			trans	-98.6	-31.9	179.2	62.1	0	0	0	0	112.6	E406 R428	E406-S430 PolarHBondContact O-N 3.23Å; E406-S430 PolarHBondContact O-OG 2.92Å; R428-S430 PolarHBondContact O-N 3.25Å; R428-S430 VanDerWaalsContact O-N 3.11Å
431	S	87.5	Confident	91.3	Very high	42 Å²	42	44.2 Å²	44.2	29%	0.294	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	143.1	-179.3	-172.4	0	0	0	0	111.2
432	V	91	Very high	91.1	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128	171.2	-178.2	0	0	0	0	107.8	L408 F437 L453 P457	L408-V432 HydrophobicContact CB-CG1 4.3Å; L408-V432 HydrophobicContact CD1-CG1 4.07Å; L408-V432 HydrophobicContact CD1-CG2 4.01Å; V432-F437 HydrophobicContact CG1-CD2 4.3Å; V432-F437 HydrophobicContact CG1-CE2 3.62Å; V432-F437 HydrophobicContact CG1-CZ 3.85Å; V432-L453 HydrophobicContact CG2-CD2 3.76Å; V432-P457 HydrophobicContact CB-CG 4.03Å; V432-P457 HydrophobicContact CG1-CG 3.71Å
433	K	90.3	Very high	90.9	Very high	74 Å²	74	45.5 Å²	45.5	32%	0.322	24%	0.236	S	C	.	.			trans	-69.8	148.5	179.8	-61.5	-65.5	-174.3	-147.8	0	111.1	E407 L408 E410 N435 S436	E407-K433 WeakPolarHBondContact OE1-CE 3.44Å; E407-K433 IonicContact OE1-NZ 2.76Å; E407-K433 PolarHBondContact OE1-NZ 2.83Å; L408-K433 WeakPolarHBondContact O-CG 3.33Å; E410-K433 HydrophobicContact CG-CB 3.48Å; E410-K433 VanDerWaalsContact CG-CB 3.48Å; E410-K433 HydrophobicContact CG-CG 4.05Å; K433-N435 VanDerWaalsContact C-N 3.28Å; K433-N435 PolarHBondContact O-N 3.25Å; K433-N435 VanDerWaalsContact O-N 3.12Å; K433-S436 WeakPolarHBondContact O-CB 3.28Å; K433-S436 PolarHBondContact O-N 2.72Å; K433-S436 VanDerWaalsContact O-N 3.07Å; K433-S436 PolarHBondContact O-OG 3.43Å
434	P	85.6	Confident	90.7	Very high	72 Å²	72	45.5 Å²	45.5	47%	0.468	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.2	-172.4	-28.3	35.6	0	0	0	115.6	T459	P434-T459 PolarHBondContact O-OG1 3.39Å
435	N	86.3	Confident	90.6	Very high	81 Å²	81	50.4 Å²	50.4	43%	0.433	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.7	-176	-63.5	-34.6	0	0	0	113.9	E410 K433 F437 F438	E410-N435 HydrophobicContact CG-CB 4.33Å; K433-N435 VanDerWaalsContact C-N 3.28Å; K433-N435 PolarHBondContact O-N 3.25Å; K433-N435 VanDerWaalsContact O-N 3.12Å; N435-F437 PolarHBondContact O-N 2.83Å; N435-F438 HydrophobicContact CB-CB 4.42Å; N435-F438 WeakPolarHBondContact O-CB 3.35Å; N435-F438 PolarHBondContact O-N 3.09Å
436	S	87	Confident	90.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.014	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.4	-176.5	-70.5	0	0	0	0	114	L408 R409 K433	L408-S436 PolarHBondContact O-OG 2.89Å; R409-S436 PolarHBondContact O-OG 3.5Å; K433-S436 WeakPolarHBondContact O-CB 3.28Å; K433-S436 PolarHBondContact O-N 2.72Å; K433-S436 VanDerWaalsContact O-N 3.07Å; K433-S436 PolarHBondContact O-OG 3.43Å
437	F	89.5	Confident	90.5	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	1.8	179	-55.1	-51.1	0	0	0	113.9	L408 F413 L422 V432 N435 A439 L440 L448 L456 P457 L461	L408-F437 HydrophobicContact CD1-CE1 4.08Å; L408-F437 HydrophobicContact CD1-CZ 3.92Å; F413-F437 HydrophobicContact CE2-CE1 4.4Å; L422-F437 HydrophobicContact CD2-CE1 4.02Å; V432-F437 HydrophobicContact CG1-CD2 4.3Å; V432-F437 HydrophobicContact CG1-CE2 3.62Å; V432-F437 HydrophobicContact CG1-CZ 3.85Å; N435-F437 PolarHBondContact O-N 2.83Å; F437-A439 VanDerWaalsContact C-N 3.26Å; F437-A439 PolarHBondContact O-N 2.97Å; F437-L440 HydrophobicContact CB-CD1 4.27Å; F437-L440 HydrophobicContact CD1-CD1 3.81Å; F437-L440 WeakPolarHBondContact O-CB 3.49Å; F437-L440 PolarHBondContact O-N 3.32Å; F437-L440 VanDerWaalsContact O-N 3.13Å; F437-L448 HydrophobicContact CZ-CD1 4.38Å; F437-L456 HydrophobicContact CE2-CD1 4.21Å; F437-P457 HydrophobicContact CD2-CG 4.42Å; F437-L461 HydrophobicContact CB-CD2 3.68Å; F437-L461 HydrophobicContact CB-CG 4.28Å; F437-L461 HydrophobicContact CD2-CD1 4.05Å; F437-L461 HydrophobicContact CD2-CD2 3.97Å; F437-L461 HydrophobicContact CD2-CG 4.23Å; F437-L461 HydrophobicContact CG-CD2 3.89Å
438	F	85.5	Confident	90.4	Very high	143 Å²	143	43.8 Å²	43.8	63%	0.627	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-35.2	-171.2	178.2	-97.5	0	0	0	113.3	N435 L440	N435-F438 HydrophobicContact CB-CB 4.42Å; N435-F438 WeakPolarHBondContact O-CB 3.35Å; N435-F438 PolarHBondContact O-N 3.09Å; F438-L440 VanDerWaalsContact C-N 3.3Å; F438-L440 PolarHBondContact O-N 2.87Å
439	A	81.1	Confident	90.4	Very high	19 Å²	19	38.6 Å²	38.6	16%	0.157	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.7	-177	0	0	0	0	0	114.3	M417 F437 T441	M417-A439 VanDerWaalsContact SD-O 3.32Å; F437-A439 VanDerWaalsContact C-N 3.26Å; F437-A439 PolarHBondContact O-N 2.97Å; A439-T441 PolarHBondContact O-N 3.18Å
440	L	88.4	Confident	90.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.228	C	C	.	.			trans	-93.4	64.6	-169.6	-61.4	-178.8	0	0	0	112.6	F413 L416 L419 F437 F438 S442 L443	F413-L440 HydrophobicContact CB-CD1 4.29Å; F413-L440 HydrophobicContact CB-CD2 4.01Å; F413-L440 HydrophobicContact CB-CG 4.37Å; L416-L440 HydrophobicContact CB-CD2 3.82Å; L419-L440 HydrophobicContact CB-CD2 4.16Å; L419-L440 HydrophobicContact CD2-CD1 4.12Å; L419-L440 HydrophobicContact CD2-CD2 3.63Å; L419-L440 HydrophobicContact CD2-CG 4.49Å; F437-L440 HydrophobicContact CB-CD1 4.27Å; F437-L440 HydrophobicContact CD1-CD1 3.81Å; F437-L440 WeakPolarHBondContact O-CB 3.49Å; F437-L440 PolarHBondContact O-N 3.32Å; F437-L440 VanDerWaalsContact O-N 3.13Å; F438-L440 VanDerWaalsContact C-N 3.3Å; F438-L440 PolarHBondContact O-N 2.87Å; L440-S442 VanDerWaalsContact C-N 3.28Å; L440-S442 PolarHBondContact O-N 3Å; L440-L443 HydrophobicContact CB-CB 3.99Å; L440-L443 HydrophobicContact CB-CD2 4.37Å; L440-L443 HydrophobicContact CD1-CD2 3.98Å; L440-L443 WeakPolarHBondContact O-CB 3.48Å; L440-L443 PolarHBondContact O-N 3.01Å
441	T	86.3	Confident	90.6	Very high	88 Å²	88	37.8 Å²	37.8	54%	0.54	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-23	-171	56.6	0	0	0	0	115.2	M417 A439 S463	M417-T441 HydrophobicContact SD-CG2 4.16Å; A439-T441 PolarHBondContact O-N 3.18Å; T441-S463 WeakPolarHBondContact O-CB 3.25Å; T441-S463 PolarHBondContact O-OG 3.21Å
442	S	90.7	Very high	90.9	Very high	55 Å²	55	41 Å²	41	39%	0.385	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	5	-178	-56.1	0	0	0	0	113.2	M417 L419 L440 S444	M417-S442 WeakPolarHBondContact O-CB 3.42Å; M417-S442 PolarHBondContact O-OG 3.45Å; L419-S442 CarbonylContact O-C 3.58Å; L440-S442 VanDerWaalsContact C-N 3.28Å; L440-S442 PolarHBondContact O-N 3Å; S442-S444 PolarHBondContact O-N 3.14Å
443	L	93	Very high	91	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.219	C	C	.	.			trans	-67.3	124.1	-174.4	-169.6	71.6	0	0	0	110.1	L419 L422 L440 L446 L461 S463 L464	L419-L443 HydrophobicContact CD2-CD1 4.09Å; L419-L443 HydrophobicContact CG-CD1 4.13Å; L419-L443 VanDerWaalsContact O-CA 3.27Å; L419-L443 WeakPolarHBondContact O-CA 3.28Å; L419-L443 PolarHBondContact O-N 3.4Å; L419-L443 VanDerWaalsContact O-N 3.13Å; L422-L443 HydrophobicContact CB-CD1 3.92Å; L440-L443 HydrophobicContact CB-CB 3.99Å; L440-L443 HydrophobicContact CB-CD2 4.37Å; L440-L443 HydrophobicContact CD1-CD2 3.98Å; L440-L443 WeakPolarHBondContact O-CB 3.48Å; L440-L443 PolarHBondContact O-N 3.01Å; L443-L446 HydrophobicContact CD2-CB 4.4Å; L443-L461 HydrophobicContact CD2-CD2 3.97Å; L443-S463 CarbonylContact O-C 3.26Å; L443-S463 VanDerWaalsContact O-C 3.26Å; L443-S463 WeakPolarHBondContact O-CB 3.28Å; L443-S463 PolarHBondContact O-OG 3.47Å; L443-L464 HydrophobicContact CB-CD2 4.34Å; L443-L464 HydrophobicContact CD2-CD2 3.84Å; L443-L464 HydrophobicContact CG-CD2 3.74Å; L443-L464 PolarHBondContact O-N 3.46Å
444	S	92.5	Very high	91	Very high	30 Å²	30	40.1 Å²	40.1	21%	0.21	23%	0.225	C	C	.	.			trans	-114.8	-36.6	-175.2	71.4	0	0	0	0	112.3	R420 S442 T465 H466	R420-S444 WeakPolarHBondContact O-CA 3.47Å; R420-S444 PolarHBondContact O-N 3.4Å; R420-S444 PolarHBondContact O-OG 2.92Å; S442-S444 PolarHBondContact O-N 3.14Å; S444-T465 PolarHBondContact O-N 3.22Å; S444-T465 PolarHBondContact O-OG1 3.09Å; S444-H466 PolarHBondContact O-N 3.17Å
445	K	94.6	Very high	91.2	Very high	103 Å²	103	39.1 Å²	39.1	45%	0.448	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127	-179	-57.8	-175.8	179.1	176.9	0	109.5	R420 S421 L422 H466	R420-K445 PolarHBondContact O-N 3.35Å; S421-K445 WeakPolarHBondContact CA-O 3.34Å; L422-K445 PolarHBondContact N-O 2.74Å; K445-H466 HydrophobicContact CB-CB 4.33Å; K445-H466 HydrophobicContact CG-CB 4.03Å
446	L	95.8	Very high	91.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.5	175.8	177.5	62.7	0	0	0	110.1	L422 L443 L448 L461 L464 H466 I467 R468	L422-L446 HydrophobicContact CB-CD1 4.12Å; L422-L446 HydrophobicContact CD2-CD1 3.96Å; L422-L446 HydrophobicContact CG-CD1 4.1Å; L422-L446 WeakPolarHBondContact O-CA 3.37Å; L443-L446 HydrophobicContact CD2-CB 4.4Å; L446-L448 HydrophobicContact CD1-CD1 4.19Å; L446-L448 HydrophobicContact CD1-CG 4.03Å; L446-L448 HydrophobicContact CD2-CD1 3.86Å; L446-L448 HydrophobicContact CD2-CG 4.5Å; L446-L448 HydrophobicContact CG-CD1 4.04Å; L446-L448 HydrophobicContact CG-CG 4.13Å; L446-L461 HydrophobicContact CD2-CD1 4.01Å; L446-L461 HydrophobicContact CD2-CD2 4.07Å; L446-L464 HydrophobicContact CB-CD1 4.07Å; L446-L464 HydrophobicContact CB-CD2 3.8Å; L446-L464 HydrophobicContact CD2-CD1 4.05Å; L446-H466 PolarHBondContact N-O 3.22Å; L446-I467 CarbonylContact O-C 3.5Å; L446-I467 WeakPolarHBondContact O-CA 3.32Å; L446-R468 PolarHBondContact O-N 3.37Å
447	D	96.4	Very high	91.5	Very high	14 Å²	14	37 Å²	37	8%	0.075	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.4	172.5	-159.3	-26.9	0	0	0	110.4	L422 D423 L424 S425 S449 R468	L422-D447 PolarHBondContact O-N 2.92Å; D423-D447 HydrophobicContact CB-CB 4.39Å; L424-D447 CarbonylContact C-O 2.95Å; L424-D447 PolarHBondContact N-O 3.29Å; S425-D447 WeakPolarHBondContact CB-OD1 3.44Å; D447-S449 WeakPolarHBondContact OD1-CB 3.39Å; D447-S449 PolarHBondContact OD1-N 2.96Å; D447-S449 PolarHBondContact OD1-OG 3.43Å; D447-R468 HydrophobicContact CB-CB 4.25Å; D447-R468 WeakPolarHBondContact OD1-CB 3.46Å; D447-R468 WeakPolarHBondContact OD2-CD 3.4Å; D447-R468 IonicContact OD2-NH1 3.27Å; D447-R468 PolarHBondContact OD2-NH1 3.09Å
448	L	95.9	Very high	91.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.			trans	-127.5	21.4	177.1	-73.1	169	0	0	0	110.2	L424 L429 F437 L446 N451 L453 L456 R468 L469 N472	L424-L448 HydrophobicContact CB-CD2 3.76Å; L424-L448 HydrophobicContact CD1-CD2 4.04Å; L429-L448 HydrophobicContact CD1-CD2 3.85Å; F437-L448 HydrophobicContact CZ-CD1 4.38Å; L446-L448 HydrophobicContact CD1-CD1 4.19Å; L446-L448 HydrophobicContact CD1-CG 4.03Å; L446-L448 HydrophobicContact CD2-CD1 3.86Å; L446-L448 HydrophobicContact CD2-CG 4.5Å; L446-L448 HydrophobicContact CG-CD1 4.04Å; L446-L448 HydrophobicContact CG-CG 4.13Å; L448-N451 PolarHBondContact O-ND2 3.48Å; L448-N451 VanDerWaalsContact O-ND2 3.12Å; L448-L453 HydrophobicContact CB-CD1 4.13Å; L448-L453 HydrophobicContact CD1-CD1 4.19Å; L448-L456 HydrophobicContact CD1-CD1 3.55Å; L448-R468 CarbonylContact C-O 3.54Å; L448-R468 PolarHBondContact N-O 2.86Å; L448-L469 HydrophobicContact CB-CD2 3.81Å; L448-L469 HydrophobicContact CD1-CD2 4.16Å; L448-N472 PolarHBondContact O-ND2 2.97Å
449	S	94.3	Very high	91.3	Very high	14 Å²	14	35 Å²	35	10%	0.098	21%	0.208	C	C	.	.			trans	-62.3	155.4	-178.6	59.5	0	0	0	0	112.6	S425 W426 D447 N451 R468 V470	S425-S449 CarbonylContact C-O 3.26Å; S425-S449 WeakPolarHBondContact CA-O 3.47Å; S425-S449 WeakPolarHBondContact CB-OG 3.3Å; W426-S449 PolarHBondContact N-O 3.27Å; D447-S449 WeakPolarHBondContact OD1-CB 3.39Å; D447-S449 PolarHBondContact OD1-N 2.96Å; D447-S449 PolarHBondContact OD1-OG 3.43Å; S449-N451 PolarHBondContact O-N 3.44Å; S449-N451 PolarHBondContact O-ND2 3.08Å; S449-N451 VanDerWaalsContact O-ND2 3.08Å; S449-R468 PolarHBondContact N-O 3.35Å; S449-V470 CarbonylContact C-O 3.12Å; S449-V470 WeakPolarHBondContact CA-O 3.37Å; S449-V470 VanDerWaalsContact CB-O 3.28Å; S449-V470 WeakPolarHBondContact CB-O 3.2Å
450	S	95.4	Very high	91.3	Very high	33 Å²	33	35.3 Å²	35.3	23%	0.231	21%	0.212	C	C	.	.	S	Bend	trans	50.7	49.7	177.9	-60.7	0	0	0	0	113.6	W426 V470	W426-S450 WeakPolarHBondContact CA-O 3.47Å; W426-S450 VanDerWaalsContact CD2-CB 3.48Å; S450-V470 PolarHBondContact N-O 3.47Å
451	N	96.1	Very high	91.3	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.043	21%	0.212	C	C	.	.	S	Bend	trans	-116	-169.6	172.8	-84.8	-77.2	0	0	0	110.5	L424 N427 R428 L429 L448 S449 L453 N472	L424-N451 PolarHBondContact O-ND2 3.38Å; N427-N451 VanDerWaalsContact CA-OD1 3.3Å; N427-N451 WeakPolarHBondContact CA-OD1 3.3Å; N427-N451 WeakPolarHBondContact CB-OD1 3.33Å; N427-N451 PolarHBondContact N-OD1 3.22Å; N427-N451 PolarHBondContact O-OD1 3.42Å; R428-N451 PolarHBondContact N-OD1 2.73Å; L429-N451 HydrophobicContact CB-CB 4.15Å; L429-N451 VanDerWaalsContact CB-OD1 3.22Å; L429-N451 WeakPolarHBondContact CB-OD1 3.4Å; L429-N451 WeakPolarHBondContact CG-OD1 3.24Å; L429-N451 PolarHBondContact N-OD1 3Å; L448-N451 PolarHBondContact O-ND2 3.48Å; L448-N451 VanDerWaalsContact O-ND2 3.12Å; S449-N451 PolarHBondContact O-N 3.44Å; S449-N451 PolarHBondContact O-ND2 3.08Å; S449-N451 VanDerWaalsContact O-ND2 3.08Å; N451-L453 HydrophobicContact CB-CD1 4.49Å; N451-L453 HydrophobicContact CB-CG 4.16Å; N451-N472 WeakPolarHBondContact CA-OD1 3.17Å; N451-N472 WeakPolarHBondContact CB-OD1 3.2Å; N451-N472 PolarHBondContact O-OD1 3.18Å
452	Q	94.2	Very high	91.3	Very high	110 Å²	110	37 Å²	37	51%	0.514	21%	0.214	S	C	.	.			trans	-116.1	30.4	-178.5	-59.2	178.2	14.8	0	0	111.6	L429 N472	L429-Q452 CarbonylContact O-C 3.18Å; L429-Q452 VanDerWaalsContact O-CA 3.25Å; L429-Q452 WeakPolarHBondContact O-CA 3.39Å; L429-Q452 WeakPolarHBondContact O-CB 3.44Å; L429-Q452 PolarHBondContact O-N 3.43Å; Q452-N472 PolarHBondContact N-OD1 3.14Å
453	L	93.1	Very high	91.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.			trans	-70.3	135.6	-174.2	-62.4	173.4	0	0	0	111.3	L429 V432 L448 N451 N472 Q474 L475	L429-L453 HydrophobicContact CB-CD2 3.94Å; L429-L453 HydrophobicContact CB-CG 4.47Å; L429-L453 PolarHBondContact O-N 3.48Å; V432-L453 HydrophobicContact CG2-CD2 3.76Å; L448-L453 HydrophobicContact CB-CD1 4.13Å; L448-L453 HydrophobicContact CD1-CD1 4.19Å; N451-L453 HydrophobicContact CB-CD1 4.49Å; N451-L453 HydrophobicContact CB-CG 4.16Å; L453-N472 HydrophobicContact CB-CB 4.4Å; L453-N472 WeakPolarHBondContact CB-OD1 3.15Å; L453-N472 WeakPolarHBondContact CG-OD1 3.3Å; L453-N472 PolarHBondContact N-OD1 3.4Å; L453-N472 VanDerWaalsContact N-OD1 3.07Å; L453-Q474 CarbonylContact O-C 3.48Å; L453-L475 PolarHBondContact O-N 3.41Å; L453-L475 VanDerWaalsContact O-N 3.16Å
454	S	89.6	Confident	91.1	Very high	64 Å²	64	35.3 Å²	35.3	45%	0.448	20%	0.203	S	C	.	.	S	Bend	trans	-102.3	-27.9	172.8	54.6	0	0	0	0	113.2
455	S	89.2	Confident	91	Very high	52 Å²	52	36 Å²	36	36%	0.364	21%	0.206	S	C	.	.			trans	-147.1	157.7	176.7	55	0	0	0	0	109.3
456	L	89.9	Confident	90.9	Very high	16 Å²	16	34.5 Å²	34.5	8%	0.084	20%	0.2	C	C	.	.			trans	-130	123.1	178.5	-177.4	73.2	0	0	0	109.4	F437 L448 L458 L461 I467 L469 L475	F437-L456 HydrophobicContact CE2-CD1 4.21Å; L448-L456 HydrophobicContact CD1-CD1 3.55Å; L456-L458 HydrophobicContact CD2-CD2 4.04Å; L456-L458 HydrophobicContact CG-CD2 4.39Å; L456-L458 PolarHBondContact O-N 2.99Å; L456-L461 HydrophobicContact CD2-CD1 4.4Å; L456-I467 HydrophobicContact CD2-CD1 4.11Å; L456-L469 HydrophobicContact CD2-CD1 4.06Å; L456-L469 HydrophobicContact CD2-CD2 4.07Å; L456-L475 HydrophobicContact CB-CD1 4.45Å
457	P	89.3	Confident	90.8	Very high	21 Å²	21	34.5 Å²	34.5	14%	0.136	20%	0.2	C	C	.	.			trans	-70.9	122.9	171.9	28.9	-32.6	0	0	0	110.3	V432 F437 L461	V432-P457 HydrophobicContact CB-CG 4.03Å; V432-P457 HydrophobicContact CG1-CG 3.71Å; F437-P457 HydrophobicContact CD2-CG 4.42Å; P457-L461 WeakPolarHBondContact O-CD1 3.32Å
458	L	86.6	Confident	90.7	Very high	31 Å²	31	39.2 Å²	39.2	16%	0.162	22%	0.217	C	C	.	.			trans	-91.4	-9.2	-177.8	-57.2	174.4	0	0	0	112.7	L456 G460 L461 I479 D483	L456-L458 HydrophobicContact CD2-CD2 4.04Å; L456-L458 HydrophobicContact CG-CD2 4.39Å; L456-L458 PolarHBondContact O-N 2.99Å; L458-G460 PolarHBondContact O-N 3.27Å; L458-L461 PolarHBondContact O-N 3.15Å; L458-L461 VanDerWaalsContact O-N 3.13Å; L458-I479 HydrophobicContact CD1-CG2 3.92Å; L458-I479 HydrophobicContact CD2-CG2 3.99Å; L458-D483 HydrophobicContact CB-CB 4.06Å; L458-D483 HydrophobicContact CD1-CB 3.75Å; L458-D483 VanDerWaalsContact CD1-OD2 3.32Å; L458-D483 WeakPolarHBondContact CD1-OD2 3.48Å; L458-D483 HydrophobicContact CG-CB 4.49Å
459	T	85.2	Confident	90.6	Very high	73 Å²	73	39.2 Å²	39.2	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	118.8	177.7	37.4	0	0	0	0	111.2	P434	P434-T459 PolarHBondContact O-OG1 3.39Å
460	G	81.2	Confident	90.3	Very high	24 Å²	24	41.2 Å²	41.2	25%	0.247	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	-6.6	-178.1	0	0	0	0	0	115	L458	L458-G460 PolarHBondContact O-N 3.27Å
461	L	87.6	Confident	89.9	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.			trans	-93.8	13.4	-176.4	-62.4	-175.6	0	0	0	114.7	F437 L443 L446 L456 P457 L458 S463 L464 L484	F437-L461 HydrophobicContact CB-CD2 3.68Å; F437-L461 HydrophobicContact CB-CG 4.28Å; F437-L461 HydrophobicContact CD2-CD1 4.05Å; F437-L461 HydrophobicContact CD2-CD2 3.97Å; F437-L461 HydrophobicContact CD2-CG 4.23Å; F437-L461 HydrophobicContact CG-CD2 3.89Å; L443-L461 HydrophobicContact CD2-CD2 3.97Å; L446-L461 HydrophobicContact CD2-CD1 4.01Å; L446-L461 HydrophobicContact CD2-CD2 4.07Å; L456-L461 HydrophobicContact CD2-CD1 4.4Å; P457-L461 WeakPolarHBondContact O-CD1 3.32Å; L458-L461 PolarHBondContact O-N 3.15Å; L458-L461 VanDerWaalsContact O-N 3.13Å; L461-S463 PolarHBondContact O-N 2.98Å; L461-L464 HydrophobicContact CB-CD1 3.81Å; L461-L464 HydrophobicContact CB-CG 4.2Å; L461-L464 HydrophobicContact CD1-CD1 4.21Å; L461-L464 HydrophobicContact CD2-CD1 4.06Å; L461-L464 HydrophobicContact CD2-CG 4.42Å; L461-L464 HydrophobicContact CG-CD1 4.25Å; L461-L464 WeakPolarHBondContact O-CB 3.43Å; L461-L464 WeakPolarHBondContact O-CG 3.36Å; L461-L464 PolarHBondContact O-N 3.01Å; L461-L484 HydrophobicContact CB-CD2 3.91Å; L461-L484 VanDerWaalsContact O-CD2 3.31Å; L461-L484 WeakPolarHBondContact O-CD2 3.47Å
462	Q	86.9	Confident	89.7	Confident	123 Å²	123	40.6 Å²	40.6	58%	0.575	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21	-174	-64.7	175.7	-3.9	0	0	113.9
463	S	88.5	Confident	89.2	Confident	22 Å²	22	39.7 Å²	39.7	15%	0.154	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11	178.7	55.3	0	0	0	0	113.9	T441 L443 L461	T441-S463 WeakPolarHBondContact O-CB 3.25Å; T441-S463 PolarHBondContact O-OG 3.21Å; L443-S463 CarbonylContact O-C 3.26Å; L443-S463 VanDerWaalsContact O-C 3.26Å; L443-S463 WeakPolarHBondContact O-CB 3.28Å; L443-S463 PolarHBondContact O-OG 3.47Å; L461-S463 PolarHBondContact O-N 2.98Å
464	L	90.9	Very high	88.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.255	C	S	.	.			trans	-61.1	138.6	-174.5	-71.9	-178.3	0	0	0	112.5	L443 L446 L461 I467 L484 R486 V487	L443-L464 HydrophobicContact CB-CD2 4.34Å; L443-L464 HydrophobicContact CD2-CD2 3.84Å; L443-L464 HydrophobicContact CG-CD2 3.74Å; L443-L464 PolarHBondContact O-N 3.46Å; L446-L464 HydrophobicContact CB-CD1 4.07Å; L446-L464 HydrophobicContact CB-CD2 3.8Å; L446-L464 HydrophobicContact CD2-CD1 4.05Å; L461-L464 HydrophobicContact CB-CD1 3.81Å; L461-L464 HydrophobicContact CB-CG 4.2Å; L461-L464 HydrophobicContact CD1-CD1 4.21Å; L461-L464 HydrophobicContact CD2-CD1 4.06Å; L461-L464 HydrophobicContact CD2-CG 4.42Å; L461-L464 HydrophobicContact CG-CD1 4.25Å; L461-L464 WeakPolarHBondContact O-CB 3.43Å; L461-L464 WeakPolarHBondContact O-CG 3.36Å; L461-L464 PolarHBondContact O-N 3.01Å; L464-I467 HydrophobicContact CD1-CB 4.4Å; L464-I467 HydrophobicContact CD1-CD1 4.12Å; L464-I467 HydrophobicContact CD1-CG1 4.46Å; L464-L484 HydrophobicContact CD1-CD2 4.35Å; L464-R486 CarbonylContact O-C 3.51Å; L464-R486 WeakPolarHBondContact O-CB 3.24Å; L464-V487 HydrophobicContact CB-CG2 3.89Å; L464-V487 WeakPolarHBondContact O-CA 3.36Å; L464-V487 VanDerWaalsContact O-CG2 3.31Å; L464-V487 WeakPolarHBondContact O-CG2 3.37Å; L464-V487 PolarHBondContact O-N 2.67Å; L464-V487 VanDerWaalsContact O-N 3.11Å
465	T	90.1	Very high	88.7	Confident	44 Å²	44	42.6 Å²	42.6	27%	0.27	23%	0.234	S	C	.	.	S	Bend	trans	-109	-32	170.9	58.1	0	0	0	0	111.2	S444 R488 V489	S444-T465 PolarHBondContact O-N 3.22Å; S444-T465 PolarHBondContact O-OG1 3.09Å; T465-R488 PolarHBondContact O-N 3.02Å; T465-V489 PolarHBondContact O-N 3.05Å; T465-V489 VanDerWaalsContact O-N 3.12Å
466	H	92.6	Very high	88.2	Confident	72 Å²	72	43.9 Å²	43.9	33%	0.333	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.4	-179.6	-59.5	70.8	0	0	0	110.4	S444 K445 L446 V489	S444-H466 PolarHBondContact O-N 3.17Å; K445-H466 HydrophobicContact CB-CB 4.33Å; K445-H466 HydrophobicContact CG-CB 4.03Å; L446-H466 PolarHBondContact N-O 3.22Å; H466-V489 VanDerWaalsContact CA-O 3.32Å; H466-V489 WeakPolarHBondContact CA-O 3.33Å; H466-V489 VanDerWaalsContact CD2-CB 3.49Å; H466-V489 WeakPolarHBondContact CD2-CB 3.31Å
467	I	93.6	Very high	87.7	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	129.1	175.3	-170.4	171.1	0	0	0	111.5	L446 L456 L464 L469 L484 V487 V489 M490 E491	L446-I467 CarbonylContact O-C 3.5Å; L446-I467 WeakPolarHBondContact O-CA 3.32Å; L456-I467 HydrophobicContact CD2-CD1 4.11Å; L464-I467 HydrophobicContact CD1-CB 4.4Å; L464-I467 HydrophobicContact CD1-CD1 4.12Å; L464-I467 HydrophobicContact CD1-CG1 4.46Å; I467-L469 HydrophobicContact CD1-CD1 3.82Å; I467-L469 HydrophobicContact CD1-CG 4.26Å; I467-L469 HydrophobicContact CG1-CD1 4.11Å; I467-L469 HydrophobicContact CG1-CG 4.08Å; I467-L484 HydrophobicContact CD1-CD1 4.15Å; I467-V487 HydrophobicContact CG2-CG1 3.91Å; I467-V487 HydrophobicContact CG2-CG2 4.46Å; I467-V489 PolarHBondContact N-O 3.25Å; I467-M490 HydrophobicContact CG2-CB 3.58Å; I467-M490 CarbonylContact O-C 3.23Å; I467-M490 WeakPolarHBondContact O-CA 3.1Å; I467-E491 PolarHBondContact O-N 2.97Å
468	R	94	Very high	87.1	Confident	113 Å²	113	50.4 Å²	50.4	43%	0.426	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.8	176.1	-71.1	178.2	170.7	162.4	2.4	110.8	L446 D447 L448 S449 E491	L446-R468 PolarHBondContact O-N 3.37Å; D447-R468 HydrophobicContact CB-CB 4.25Å; D447-R468 WeakPolarHBondContact OD1-CB 3.46Å; D447-R468 WeakPolarHBondContact OD2-CD 3.4Å; D447-R468 IonicContact OD2-NH1 3.27Å; D447-R468 PolarHBondContact OD2-NH1 3.09Å; L448-R468 CarbonylContact C-O 3.54Å; L448-R468 PolarHBondContact N-O 2.86Å; S449-R468 PolarHBondContact N-O 3.35Å; R468-E491 HydrophobicContact CB-CB 4.44Å; R468-E491 HydrophobicContact CG-CB 4Å; R468-E491 HydrophobicContact CG-CG 3.82Å; R468-E491 IonicContact CZ-OE1 3.48Å; R468-E491 IonicContact NE-OE1 2.83Å; R468-E491 PolarHBondContact NE-OE1 3.18Å; R468-E491 IonicContact NE-OE2 2.75Å; R468-E491 IonicContact NH2-OE1 2.68Å
469	L	94.1	Very high	86.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.			trans	-135.4	4.1	-175	-66.9	168.4	0	0	0	112.2	L448 L456 I467 N472 L475 I479 E491 L492 P493	L448-L469 HydrophobicContact CB-CD2 3.81Å; L448-L469 HydrophobicContact CD1-CD2 4.16Å; L456-L469 HydrophobicContact CD2-CD1 4.06Å; L456-L469 HydrophobicContact CD2-CD2 4.07Å; I467-L469 HydrophobicContact CD1-CD1 3.82Å; I467-L469 HydrophobicContact CD1-CG 4.26Å; I467-L469 HydrophobicContact CG1-CD1 4.11Å; I467-L469 HydrophobicContact CG1-CG 4.08Å; L469-N472 PolarHBondContact O-N 2.88Å; L469-N472 PolarHBondContact O-ND2 2.79Å; L469-L475 HydrophobicContact CB-CD2 4.21Å; L469-L475 HydrophobicContact CD1-CD2 3.96Å; L469-L475 HydrophobicContact CD2-CD2 4.14Å; L469-L475 HydrophobicContact CG-CD2 4.34Å; L469-I479 HydrophobicContact CD1-CD1 3.61Å; L469-E491 PolarHBondContact N-O 3.16Å; L469-L492 HydrophobicContact CB-CD2 4.31Å; L469-L492 HydrophobicContact CD1-CD2 3.78Å; L469-P493 WeakPolarHBondContact O-CD 3.42Å; L469-P493 VanDerWaalsContact O-CG 3.32Å; L469-P493 WeakPolarHBondContact O-CG 3.36Å
470	V	89.4	Confident	86.7	Confident	56 Å²	56	48 Å²	48	34%	0.339	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.6	179	177.7	0	0	0	0	110.9	S449 S450 N472 E491	S449-V470 CarbonylContact C-O 3.12Å; S449-V470 WeakPolarHBondContact CA-O 3.37Å; S449-V470 VanDerWaalsContact CB-O 3.28Å; S449-V470 WeakPolarHBondContact CB-O 3.2Å; S450-V470 PolarHBondContact N-O 3.47Å; V470-N472 VanDerWaalsContact C-N 3.33Å; V470-N472 PolarHBondContact O-N 3.3Å; V470-E491 HydrophobicContact CG2-CB 3.44Å; V470-E491 VanDerWaalsContact CG2-CB 3.44Å; V470-E491 PolarHBondContact N-O 3.46Å
471	G	86.8	Confident	86.6	Confident	28 Å²	28	52.4 Å²	52.4	29%	0.289	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	-2.8	178.5	0	0	0	0	0	115.2	D473	G471-D473 PolarHBondContact O-N 3.17Å
472	N	90.8	Very high	86.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.			trans	-86.9	82.3	169.3	-67.5	-83.5	0	0	0	110.9	L448 N451 Q452 L453 L469 V470 Q474 L475 P493	L448-N472 PolarHBondContact O-ND2 2.97Å; N451-N472 WeakPolarHBondContact CA-OD1 3.17Å; N451-N472 WeakPolarHBondContact CB-OD1 3.2Å; N451-N472 PolarHBondContact O-OD1 3.18Å; Q452-N472 PolarHBondContact N-OD1 3.14Å; L453-N472 HydrophobicContact CB-CB 4.4Å; L453-N472 WeakPolarHBondContact CB-OD1 3.15Å; L453-N472 WeakPolarHBondContact CG-OD1 3.3Å; L453-N472 PolarHBondContact N-OD1 3.4Å; L453-N472 VanDerWaalsContact N-OD1 3.07Å; L469-N472 PolarHBondContact O-N 2.88Å; L469-N472 PolarHBondContact O-ND2 2.79Å; V470-N472 VanDerWaalsContact C-N 3.33Å; V470-N472 PolarHBondContact O-N 3.3Å; N472-Q474 PolarHBondContact O-N 3.3Å; N472-L475 HydrophobicContact CB-CB 3.88Å; N472-L475 HydrophobicContact CB-CD2 4.45Å; N472-L475 WeakPolarHBondContact O-CB 3.14Å; N472-L475 PolarHBondContact O-N 3.26Å; N472-L475 VanDerWaalsContact O-N 3.09Å; N472-P493 HydrophobicContact CB-CG 4.21Å; N472-P493 WeakPolarHBondContact O-CG 3.33Å
473	D	84.5	Confident	86.3	Confident	92 Å²	92	58 Å²	58	49%	0.492	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.6	-174.4	-64.2	-29	0	0	0	114.5	G471 Y494	G471-D473 PolarHBondContact O-N 3.17Å; D473-Y494 PolarHBondContact O-OH 3.22Å
474	Q	85.3	Confident	86.3	Confident	121 Å²	121	57.1 Å²	57.1	57%	0.565	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.6	176.6	-57.4	-55.8	-43.8	0	0	112.5	L453 N472 M476	L453-Q474 CarbonylContact O-C 3.48Å; N472-Q474 PolarHBondContact O-N 3.3Å; Q474-M476 VanDerWaalsContact C-N 3.28Å; Q474-M476 PolarHBondContact O-N 3.23Å
475	L	86.8	Confident	86	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	30%	0.304	C	S	.	.			trans	-82.8	74	-177.7	-170.2	67.5	0	0	0	110.5	L453 L456 L469 N472 P493 Q497	L453-L475 PolarHBondContact O-N 3.41Å; L453-L475 VanDerWaalsContact O-N 3.16Å; L456-L475 HydrophobicContact CB-CD1 4.45Å; L469-L475 HydrophobicContact CB-CD2 4.21Å; L469-L475 HydrophobicContact CD1-CD2 3.96Å; L469-L475 HydrophobicContact CD2-CD2 4.14Å; L469-L475 HydrophobicContact CG-CD2 4.34Å; N472-L475 HydrophobicContact CB-CB 3.88Å; N472-L475 HydrophobicContact CB-CD2 4.45Å; N472-L475 WeakPolarHBondContact O-CB 3.14Å; N472-L475 PolarHBondContact O-N 3.26Å; N472-L475 VanDerWaalsContact O-N 3.09Å; L475-P493 HydrophobicContact CB-CG 4.26Å; L475-P493 HydrophobicContact CD2-CG 4.39Å; L475-Q497 PolarHBondContact O-NE2 3.44Å
476	M	79.2	Confident	85.8	Confident	79 Å²	79	66 Å²	66	39%	0.389	32%	0.32	S	S	.	.			trans	-88.6	-10.8	-178.9	-57.3	-174.9	-179.3	0	0	113.3	Q474 Y494 V646	Q474-M476 VanDerWaalsContact C-N 3.28Å; Q474-M476 PolarHBondContact O-N 3.23Å; M476-Y494 HydrophobicContact CG-CE2 4.35Å; M476-V646 HydrophobicContact CB-CG1 4.18Å; M476-V646 HydrophobicContact CE-CG1 4.16Å; M476-V646 HydrophobicContact CG-CG1 3.79Å; M476-V646 HydrophobicContact SD-CG1 3.53Å; M476-V646 VanDerWaalsContact SD-CG1 3.53Å
477	E	79	Confident	85.6	Confident	121 Å²	121	62.7 Å²	62.7	57%	0.565	31%	0.305	S	S	*	.	S	Bend	trans	-67	147.7	-177.9	-170	167.1	-162.2	0	0	111.7	Q497	E477-Q497 PolarHBondContact O-NE2 3.09Å
478	L	75.4	Confident	85.2	Confident	53 Å²	53	68 Å²	68	28%	0.277	33%	0.325	S	S	.	.			trans	-86.1	130.8	176.9	-164.9	98.7	0	0	0	109.6	P480 A500 W642	L478-P480 WeakPolarHBondContact O-CD 3.35Å; L478-A500 HydrophobicContact CD2-CB 4.23Å; L478-W642 HydrophobicContact CD1-CE3 3.69Å; L478-W642 HydrophobicContact CD1-CZ3 3.69Å; L478-W642 HydrophobicContact CD2-CE3 4.38Å; L478-W642 HydrophobicContact CD2-CH2 4.07Å; L478-W642 HydrophobicContact CD2-CZ3 3.58Å; L478-W642 HydrophobicContact CG-CZ3 4.11Å
479	I	83.9	Confident	84.9	Confident	10 Å²	10	64.5 Å²	64.5	5%	0.051	32%	0.316	C	S	.	.			trans	-91	114.6	172.3	-57	173.3	0	0	0	107.8	L458 L469 L484 L492 F501	L458-I479 HydrophobicContact CD1-CG2 3.92Å; L458-I479 HydrophobicContact CD2-CG2 3.99Å; L469-I479 HydrophobicContact CD1-CD1 3.61Å; I479-L484 HydrophobicContact CG2-CD1 3.52Å; I479-L484 HydrophobicContact CG2-CG 4.1Å; I479-L492 HydrophobicContact CD1-CD2 4.26Å; I479-F501 HydrophobicContact CG2-CZ 4.23Å; I479-F501 VanDerWaalsContact O-CE2 3.25Å; I479-F501 WeakPolarHBondContact O-CE2 3.49Å
480	P	80.3	Confident	84.7	Confident	43 Å²	43	64.6 Å²	64.6	28%	0.279	32%	0.317	S	S	.	.			trans	-74.4	148.4	179	32.3	-35.2	0	0	0	110.9	L478 E482 D483	L478-P480 WeakPolarHBondContact O-CD 3.35Å; P480-E482 PolarHBondContact O-N 3.14Å; P480-D483 HydrophobicContact CG-CB 4.07Å; P480-D483 WeakPolarHBondContact CG-OD2 3.34Å; P480-D483 PolarHBondContact O-N 2.92Å
481	R	78.9	Confident	84.7	Confident	117 Å²	117	64.4 Å²	64.4	44%	0.442	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.5	178.1	-177.8	178.4	178.6	-176.3	1.9	113.3	D483 L484 F501	R481-D483 VanDerWaalsContact C-N 3.26Å; R481-D483 PolarHBondContact O-N 3.1Å; R481-L484 CarbonylContact O-C 3.55Å; R481-L484 VanDerWaalsContact O-C 3.27Å; R481-L484 PolarHBondContact O-N 2.86Å; R481-F501 HydrophobicContact CB-CD1 3.99Å; R481-F501 HydrophobicContact CB-CE1 3.84Å; R481-F501 HydrophobicContact CB-CZ 4.47Å; R481-F501 HydrophobicContact CG-CD1 3.96Å; R481-F501 HydrophobicContact CG-CE1 4.04Å
482	E	83.7	Confident	84.8	Confident	175 Å²	175	63.2 Å²	63.2	82%	0.818	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.4	-179.6	-66.2	173.1	-161.5	0	0	111.9	P480	P480-E482 PolarHBondContact O-N 3.14Å
483	D	85.1	Confident	84.6	Confident	64 Å²	64	64.2 Å²	64.2	34%	0.342	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-24	-179.5	-68	-21.5	0	0	0	112.6	L458 P480 R481 P485	L458-D483 HydrophobicContact CB-CB 4.06Å; L458-D483 HydrophobicContact CD1-CB 3.75Å; L458-D483 VanDerWaalsContact CD1-OD2 3.32Å; L458-D483 WeakPolarHBondContact CD1-OD2 3.48Å; L458-D483 HydrophobicContact CG-CB 4.49Å; P480-D483 HydrophobicContact CG-CB 4.07Å; P480-D483 WeakPolarHBondContact CG-OD2 3.34Å; P480-D483 PolarHBondContact O-N 2.92Å; R481-D483 VanDerWaalsContact C-N 3.26Å; R481-D483 PolarHBondContact O-N 3.1Å; D483-P485 VanDerWaalsContact C-CD 3.48Å; D483-P485 WeakPolarHBondContact O-CD 3.44Å
484	L	87.8	Confident	84.4	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.026	29%	0.288	C	S	.	.			trans	-126.5	67.8	180	-65.7	-176.4	0	0	0	111.9	L461 L464 I467 I479 R481 R486 V487 F501	L461-L484 HydrophobicContact CB-CD2 3.91Å; L461-L484 VanDerWaalsContact O-CD2 3.31Å; L461-L484 WeakPolarHBondContact O-CD2 3.47Å; L464-L484 HydrophobicContact CD1-CD2 4.35Å; I467-L484 HydrophobicContact CD1-CD1 4.15Å; I479-L484 HydrophobicContact CG2-CD1 3.52Å; I479-L484 HydrophobicContact CG2-CG 4.1Å; R481-L484 CarbonylContact O-C 3.55Å; R481-L484 VanDerWaalsContact O-C 3.27Å; R481-L484 PolarHBondContact O-N 2.86Å; L484-R486 PolarHBondContact O-N 3.18Å; L484-V487 HydrophobicContact CB-CB 4.45Å; L484-V487 HydrophobicContact CB-CG2 3.8Å; L484-V487 HydrophobicContact CD1-CG2 4.21Å; L484-V487 HydrophobicContact CD2-CG2 4.36Å; L484-V487 HydrophobicContact CG-CG2 4.36Å; L484-F501 HydrophobicContact CB-CE1 4.45Å
485	P	84.6	Confident	84	Confident	68 Å²	68	55.8 Å²	55.8	44%	0.442	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-25.2	-170.4	28	-35.4	0	0	0	114.3	D483	D483-P485 VanDerWaalsContact C-CD 3.48Å; D483-P485 WeakPolarHBondContact O-CD 3.44Å
486	R	86.8	Confident	83.5	Confident	161 Å²	161	56.5 Å²	56.5	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-6	-173.5	-68	-175.8	177.6	-175	0.6	114.5	L464 L484 R488	L464-R486 CarbonylContact O-C 3.51Å; L464-R486 WeakPolarHBondContact O-CB 3.24Å; L484-R486 PolarHBondContact O-N 3.18Å; R486-R488 PolarHBondContact O-N 3.38Å
487	V	87.2	Confident	83.6	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.024	25%	0.247	C	C	.	.			trans	-66.3	129.5	-176.4	175.4	0	0	0	0	110.4	L464 I467 L484 V489 M490	L464-V487 HydrophobicContact CB-CG2 3.89Å; L464-V487 WeakPolarHBondContact O-CA 3.36Å; L464-V487 VanDerWaalsContact O-CG2 3.31Å; L464-V487 WeakPolarHBondContact O-CG2 3.37Å; L464-V487 PolarHBondContact O-N 2.67Å; L464-V487 VanDerWaalsContact O-N 3.11Å; I467-V487 HydrophobicContact CG2-CG1 3.91Å; I467-V487 HydrophobicContact CG2-CG2 4.46Å; L484-V487 HydrophobicContact CB-CB 4.45Å; L484-V487 HydrophobicContact CB-CG2 3.8Å; L484-V487 HydrophobicContact CD1-CG2 4.21Å; L484-V487 HydrophobicContact CD2-CG2 4.36Å; L484-V487 HydrophobicContact CG-CG2 4.36Å; V487-V489 WeakPolarHBondContact CG1-O 3.46Å; V487-M490 HydrophobicContact CB-CE 4.25Å; V487-M490 HydrophobicContact CG1-CB 4.04Å; V487-M490 HydrophobicContact CG1-CE 3.52Å
488	R	85.5	Confident	83.8	Confident	113 Å²	113	47 Å²	47	43%	0.426	22%	0.22	S	C	.	.			trans	-111.9	-36.1	178	-60.8	-57	-176.9	-165.5	-1.1	112	T465 R486 V555 H556	T465-R488 PolarHBondContact O-N 3.02Å; R486-R488 PolarHBondContact O-N 3.38Å; R488-V555 CarbonylContact O-C 3.54Å; R488-V555 WeakPolarHBondContact O-CA 3.42Å; R488-H556 PolarHBondContact O-N 3.35Å
489	V	88.2	Confident	83.9	Confident	40 Å²	40	44.9 Å²	44.9	24%	0.242	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.7	178.6	-177.6	0	0	0	0	108.5	T465 H466 I467 V487 H556	T465-V489 PolarHBondContact O-N 3.05Å; T465-V489 VanDerWaalsContact O-N 3.12Å; H466-V489 VanDerWaalsContact CA-O 3.32Å; H466-V489 WeakPolarHBondContact CA-O 3.33Å; H466-V489 VanDerWaalsContact CD2-CB 3.49Å; H466-V489 WeakPolarHBondContact CD2-CB 3.31Å; I467-V489 PolarHBondContact N-O 3.25Å; V487-V489 WeakPolarHBondContact CG1-O 3.46Å; V489-H556 WeakPolarHBondContact CA-O 3.28Å
490	M	89.5	Confident	83.3	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.2	174.6	64.7	-175	65.1	0	0	111.1	I467 V487 L492 F501 V555 H556 C557 S558	I467-M490 HydrophobicContact CG2-CB 3.58Å; I467-M490 CarbonylContact O-C 3.23Å; I467-M490 WeakPolarHBondContact O-CA 3.1Å; V487-M490 HydrophobicContact CB-CE 4.25Å; V487-M490 HydrophobicContact CG1-CB 4.04Å; V487-M490 HydrophobicContact CG1-CE 3.52Å; M490-L492 HydrophobicContact CB-CG 4.49Å; M490-L492 HydrophobicContact CG-CD1 4.39Å; M490-L492 HydrophobicContact CG-CG 4.4Å; M490-L492 HydrophobicContact SD-CD1 3.9Å; M490-F501 HydrophobicContact CE-CB 4.01Å; M490-F501 HydrophobicContact CE-CD1 3.5Å; M490-F501 VanDerWaalsContact CE-CD1 3.5Å; M490-F501 HydrophobicContact CE-CD2 3.87Å; M490-F501 HydrophobicContact CE-CE1 3.81Å; M490-F501 HydrophobicContact CE-CE2 4.2Å; M490-F501 HydrophobicContact CE-CG 3.51Å; M490-F501 HydrophobicContact CE-CZ 4.17Å; M490-F501 HydrophobicContact SD-CB 4.14Å; M490-F501 HydrophobicContact SD-CD1 4.35Å; M490-F501 HydrophobicContact SD-CD2 3.61Å; M490-F501 HydrophobicContact SD-CE2 4.06Å; M490-F501 HydrophobicContact SD-CG 3.78Å; M490-V555 HydrophobicContact CE-CG1 3.45Å; M490-V555 VanDerWaalsContact CE-CG1 3.45Å; M490-V555 HydrophobicContact SD-CG1 4.35Å; M490-H556 PolarHBondContact N-O 2.98Å; M490-C557 HydrophobicContact CG-CB 3.5Å; M490-C557 VanDerWaalsContact CG-CB 3.5Å; M490-C557 WeakPolarHBondContact CG-SG 3.32Å; M490-C557 VanDerWaalsContact O-CA 3.27Å; M490-C557 WeakPolarHBondContact O-CA 3.12Å; M490-C557 HydrophobicContact SD-CB 3.84Å; M490-C557 PolarHBondContact SD-SG 2.97Å; M490-S558 PolarHBondContact O-N 3.23Å
491	E	89.5	Confident	83.1	Confident	52 Å²	52	44.5 Å²	44.5	24%	0.243	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.1	171.1	-49.5	-176.7	-168	0	0	107.5	I467 R468 L469 V470 S558	I467-E491 PolarHBondContact O-N 2.97Å; R468-E491 HydrophobicContact CB-CB 4.44Å; R468-E491 HydrophobicContact CG-CB 4Å; R468-E491 HydrophobicContact CG-CG 3.82Å; R468-E491 IonicContact CZ-OE1 3.48Å; R468-E491 IonicContact NE-OE1 2.83Å; R468-E491 PolarHBondContact NE-OE1 3.18Å; R468-E491 IonicContact NE-OE2 2.75Å; R468-E491 IonicContact NH2-OE1 2.68Å; L469-E491 PolarHBondContact N-O 3.16Å; V470-E491 HydrophobicContact CG2-CB 3.44Å; V470-E491 VanDerWaalsContact CG2-CB 3.44Å; V470-E491 PolarHBondContact N-O 3.46Å; E491-S558 CarbonylContact C-O 3.56Å; E491-S558 WeakPolarHBondContact CA-O 3.43Å; E491-S558 WeakPolarHBondContact CB-OG 3.49Å; E491-S558 WeakPolarHBondContact CG-OG 3.46Å
492	L	89.3	Confident	82.6	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.207	C	C	.	.			trans	-111.9	153.6	-172.4	-61	177.4	0	0	0	110.1	L469 I479 M490 Y494 Q497 S558 P559	L469-L492 HydrophobicContact CB-CD2 4.31Å; L469-L492 HydrophobicContact CD1-CD2 3.78Å; I479-L492 HydrophobicContact CD1-CD2 4.26Å; M490-L492 HydrophobicContact CB-CG 4.49Å; M490-L492 HydrophobicContact CG-CD1 4.39Å; M490-L492 HydrophobicContact CG-CG 4.4Å; M490-L492 HydrophobicContact SD-CD1 3.9Å; L492-Y494 PolarHBondContact O-N 2.79Å; L492-Y494 VanDerWaalsContact O-N 3.14Å; L492-Q497 HydrophobicContact CB-CB 4.28Å; L492-Q497 HydrophobicContact CD1-CB 3.48Å; L492-Q497 VanDerWaalsContact CD1-CB 3.48Å; L492-Q497 HydrophobicContact CG-CB 4.44Å; L492-S558 PolarHBondContact N-O 3.31Å; L492-P559 WeakPolarHBondContact O-CD 3.08Å
493	P	85.9	Confident	81.3	Confident	21 Å²	21	37 Å²	37	14%	0.136	19%	0.188	C	C	.	.	S	Bend	trans	-56.4	-31.7	175.9	-13.6	18	0	0	0	112.4	L469 N472 L475	L469-P493 WeakPolarHBondContact O-CD 3.42Å; L469-P493 VanDerWaalsContact O-CG 3.32Å; L469-P493 WeakPolarHBondContact O-CG 3.36Å; N472-P493 HydrophobicContact CB-CG 4.21Å; N472-P493 WeakPolarHBondContact O-CG 3.33Å; L475-P493 HydrophobicContact CB-CG 4.26Å; L475-P493 HydrophobicContact CD2-CG 4.39Å
494	Y	80.9	Confident	79.3	Confident	33 Å²	33	38.2 Å²	38.2	13%	0.129	20%	0.2	C	C	.	.	S	Bend	trans	-136.3	145.3	-173.9	-53	-75.6	0	0	0	115.5	D473 M476 L492 F496 Q497	D473-Y494 PolarHBondContact O-OH 3.22Å; M476-Y494 HydrophobicContact CG-CE2 4.35Å; L492-Y494 PolarHBondContact O-N 2.79Å; L492-Y494 VanDerWaalsContact O-N 3.14Å; Y494-F496 VanDerWaalsContact C-N 3.33Å; Y494-F496 AromaticContact CD1-CE1 3.95Å; Y494-F496 HydrophobicContact CD1-CE1 3.95Å; Y494-F496 AromaticContact CD2-CE1 3.76Å; Y494-F496 HydrophobicContact CD2-CE1 3.76Å; Y494-F496 AromaticContact CD2-CZ 3.52Å; Y494-F496 HydrophobicContact CD2-CZ 3.52Å; Y494-F496 HydrophobicContact CE2-CZ 4.46Å; Y494-F496 HydrophobicContact CG-CD1 4.37Å; Y494-F496 AromaticContact CG-CE1 3.3Å; Y494-F496 HydrophobicContact CG-CE1 3.3Å; Y494-F496 AromaticContact CG-CZ 3.58Å; Y494-F496 HydrophobicContact CG-CZ 3.58Å; Y494-F496 PolarHBondContact O-N 3.36Å; Y494-Q497 PolarHBondContact O-N 3.5Å
495	A	77.6	Confident	77	Confident	3 Å²	3	45.1 Å²	45.1	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-30.7	-176.9	0	0	0	0	0	114	Q497 C498 P559 R565	A495-Q497 VanDerWaalsContact C-N 3.25Å; A495-Q497 PolarHBondContact O-N 2.95Å; A495-C498 VanDerWaalsContact O-CB 3.27Å; A495-C498 WeakPolarHBondContact O-CB 3.33Å; A495-C498 PolarHBondContact O-N 3.12Å; A495-P559 WeakPolarHBondContact CA-O 3.22Å; A495-P559 HydrophobicContact CB-CB 4.42Å; A495-P559 HydrophobicContact CB-CG 3.99Å; A495-P559 WeakPolarHBondContact CB-O 3.41Å; A495-R565 HydrophobicContact CB-CB 4.44Å
496	F	75.8	Confident	74.8	Confident	20 Å²	20	51.7 Å²	51.7	9%	0.088	25%	0.254	C	S	.	.	H	α-helix	trans	-70.6	-22.8	-179.3	63.8	-92.9	0	0	0	112.3	Y494 C498 C499 V646	Y494-F496 VanDerWaalsContact C-N 3.33Å; Y494-F496 AromaticContact CD1-CE1 3.95Å; Y494-F496 HydrophobicContact CD1-CE1 3.95Å; Y494-F496 AromaticContact CD2-CE1 3.76Å; Y494-F496 HydrophobicContact CD2-CE1 3.76Å; Y494-F496 AromaticContact CD2-CZ 3.52Å; Y494-F496 HydrophobicContact CD2-CZ 3.52Å; Y494-F496 HydrophobicContact CE2-CZ 4.46Å; Y494-F496 HydrophobicContact CG-CD1 4.37Å; Y494-F496 AromaticContact CG-CE1 3.3Å; Y494-F496 HydrophobicContact CG-CE1 3.3Å; Y494-F496 AromaticContact CG-CZ 3.58Å; Y494-F496 HydrophobicContact CG-CZ 3.58Å; Y494-F496 PolarHBondContact O-N 3.36Å; F496-C498 VanDerWaalsContact C-N 3.29Å; F496-C499 WeakPolarHBondContact O-CB 3.45Å; F496-C499 PolarHBondContact O-N 3.37Å; F496-V646 HydrophobicContact CD1-CG2 3.85Å; F496-V646 HydrophobicContact CD2-CG2 4.14Å; F496-V646 HydrophobicContact CE1-CB 4.19Å; F496-V646 HydrophobicContact CE1-CG2 2.99Å; F496-V646 HydrophobicContact CE2-CG2 3.37Å; F496-V646 HydrophobicContact CG-CG2 4.38Å; F496-V646 HydrophobicContact CZ-CB 4.24Å; F496-V646 HydrophobicContact CZ-CG2 2.8Å
497	Q	80.4	Confident	72.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-33.9	175.9	-61.2	169.3	-57.7	0	0	110.1	L475 E477 L492 Y494 A495 C499 A500	L475-Q497 PolarHBondContact O-NE2 3.44Å; E477-Q497 PolarHBondContact O-NE2 3.09Å; L492-Q497 HydrophobicContact CB-CB 4.28Å; L492-Q497 HydrophobicContact CD1-CB 3.48Å; L492-Q497 VanDerWaalsContact CD1-CB 3.48Å; L492-Q497 HydrophobicContact CG-CB 4.44Å; Y494-Q497 PolarHBondContact O-N 3.5Å; A495-Q497 VanDerWaalsContact C-N 3.25Å; A495-Q497 PolarHBondContact O-N 2.95Å; Q497-C499 PolarHBondContact O-N 3Å; Q497-A500 PolarHBondContact O-N 3.22Å
498	C	83.3	Confident	69.5	Low	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-26.7	172.3	-64.2	0	0	0	0	113.7	A495 F496 A500 F501 I502 C557 P559 P561	A495-C498 VanDerWaalsContact O-CB 3.27Å; A495-C498 WeakPolarHBondContact O-CB 3.33Å; A495-C498 PolarHBondContact O-N 3.12Å; F496-C498 VanDerWaalsContact C-N 3.29Å; C498-A500 PolarHBondContact O-N 3.47Å; C498-F501 PolarHBondContact O-N 2.87Å; C498-I502 HydrophobicContact CB-CD1 3.87Å; C498-I502 WeakPolarHBondContact O-CG1 3.34Å; C498-I502 PolarHBondContact O-N 3.45Å; C498-I502 VanDerWaalsContact O-N 3.13Å; C498-C557 WeakPolarHBondContact CA-SG 3.46Å; C498-C557 HydrophobicContact CB-CB 3.56Å; C498-C557 WeakPolarHBondContact CB-SG 3.44Å; C498-C557 WeakPolarHBondContact SG-CB 3.29Å; C498-C557 CovalentContact SG-SG 2Å; C498-C557 PolarHBondContact SG-SG 3.32Å; C498-P559 PolarHBondContact SG-O 3Å; C498-P561 HydrophobicContact CB-CG 3.94Å
499	C	77.3	Confident	66.6	Low	7 Å²	7	62.6 Å²	62.6	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-31.2	-176.9	-66.5	0	0	0	0	113.3	F496 Q497 F501 S503 C567	F496-C499 WeakPolarHBondContact O-CB 3.45Å; F496-C499 PolarHBondContact O-N 3.37Å; Q497-C499 PolarHBondContact O-N 3Å; C499-F501 PolarHBondContact O-N 3.27Å; C499-S503 WeakPolarHBondContact O-CB 3.3Å; C499-S503 PolarHBondContact O-N 3.39Å; C499-S503 PolarHBondContact O-OG 3.29Å; C499-S503 VanDerWaalsContact O-OG 3.08Å; C499-C567 HydrophobicContact CB-CB 3.53Å; C499-C567 WeakPolarHBondContact CB-SG 3.39Å; C499-C567 WeakPolarHBondContact SG-CA 3.19Å; C499-C567 WeakPolarHBondContact SG-CB 3.39Å; C499-C567 CovalentContact SG-SG 2.02Å; C499-C567 PolarHBondContact SG-SG 3.39Å
500	A	72.8	Confident	63.7	Low	34 Å²	34	64.4 Å²	64.4	28%	0.281	35%	0.348	S	S	.	.	H	α-helix	trans	-64.2	-26.5	178.4	0	0	0	0	0	112.7	L478 Q497 C498	L478-A500 HydrophobicContact CD2-CB 4.23Å; Q497-A500 PolarHBondContact O-N 3.22Å; C498-A500 PolarHBondContact O-N 3.47Å
501	F	74.8	Confident	60.5	Low	12 Å²	12	67.7 Å²	67.7	5%	0.053	38%	0.383	C	S	.	.	H	α-helix	trans	-101	-32.3	-175	-64.8	-91.1	0	0	0	112.9	I479 R481 L484 M490 C498 C499 V555	I479-F501 HydrophobicContact CG2-CZ 4.23Å; I479-F501 VanDerWaalsContact O-CE2 3.25Å; I479-F501 WeakPolarHBondContact O-CE2 3.49Å; R481-F501 HydrophobicContact CB-CD1 3.99Å; R481-F501 HydrophobicContact CB-CE1 3.84Å; R481-F501 HydrophobicContact CB-CZ 4.47Å; R481-F501 HydrophobicContact CG-CD1 3.96Å; R481-F501 HydrophobicContact CG-CE1 4.04Å; L484-F501 HydrophobicContact CB-CE1 4.45Å; M490-F501 HydrophobicContact CE-CB 4.01Å; M490-F501 HydrophobicContact CE-CD1 3.5Å; M490-F501 VanDerWaalsContact CE-CD1 3.5Å; M490-F501 HydrophobicContact CE-CD2 3.87Å; M490-F501 HydrophobicContact CE-CE1 3.81Å; M490-F501 HydrophobicContact CE-CE2 4.2Å; M490-F501 HydrophobicContact CE-CG 3.51Å; M490-F501 HydrophobicContact CE-CZ 4.17Å; M490-F501 HydrophobicContact SD-CB 4.14Å; M490-F501 HydrophobicContact SD-CD1 4.35Å; M490-F501 HydrophobicContact SD-CD2 3.61Å; M490-F501 HydrophobicContact SD-CE2 4.06Å; M490-F501 HydrophobicContact SD-CG 3.78Å; C498-F501 PolarHBondContact O-N 2.87Å; C499-F501 PolarHBondContact O-N 3.27Å; F501-V555 HydrophobicContact CB-CG1 4.19Å
502	I	69.9	Low	57.6	Low	76 Å²	76	73.7 Å²	73.7	39%	0.39	42%	0.415	S	S	.	.	H	α-helix	trans	-83.6	-29.3	-175.9	-62.4	168.8	0	0	0	113	C498 C504 C557 P561	C498-I502 HydrophobicContact CB-CD1 3.87Å; C498-I502 WeakPolarHBondContact O-CG1 3.34Å; C498-I502 PolarHBondContact O-N 3.45Å; C498-I502 VanDerWaalsContact O-N 3.13Å; I502-C504 PolarHBondContact O-N 3.36Å; I502-C557 HydrophobicContact CD1-CB 4.1Å; I502-P561 VanDerWaalsContact CD1-CD 3.45Å; I502-P561 HydrophobicContact CD1-CG 3.88Å
503	S	54.8	Low	54.3	Low	58 Å²	58	78.8 Å²	78.8	41%	0.406	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	14.2	-161.6	-57	0	0	0	0	117.4	C499	C499-S503 WeakPolarHBondContact O-CB 3.3Å; C499-S503 PolarHBondContact O-N 3.39Å; C499-S503 PolarHBondContact O-OG 3.29Å; C499-S503 VanDerWaalsContact O-OG 3.08Å
504	C	43.8	Very low	51.4	Low	90 Å²	90	90 Å²	90	61%	0.608	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-6.7	-178.9	-85	0	0	0	0	116.4	I502 K506	I502-C504 PolarHBondContact O-N 3.36Å; C504-K506 VanDerWaalsContact C-N 3.33Å; C504-K506 PolarHBondContact O-N 2.91Å
505	E	39.8	Very low	48.7	Very low	150 Å²	150	96.5 Å²	96.5	70%	0.701	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.1	176.2	-86.8	-177.1	155.4	0	0	114.2
506	K	38.5	Very low	46.2	Very low	205 Å²	205	107 Å²	107	89%	0.891	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	16.4	179.9	-73.8	-169.6	176.8	-178.3	0	115.4	C504	C504-K506 VanDerWaalsContact C-N 3.33Å; C504-K506 PolarHBondContact O-N 2.91Å
507	R	32.3	Very low	43.7	Very low	246 Å²	246	115.6 Å²	115.6	93%	0.928	60%	0.602	S	S	*	*	S	Bend	trans	-118.5	54	172.3	-104.7	-174.5	-174.1	-177.8	2.2	111.4
508	G	29	Very low	41.1	Very low	57 Å²	57	124.6 Å²	124.6	59%	0.588	64%	0.644	S	S	*	*	S	Bend	trans	-147.2	113.3	164.3	0	0	0	0	0	107.8
509	E	26	Very low	38.4	Very low	204 Å²	204	129.5 Å²	129.5	95%	0.953	69%	0.685	S	S	*	*			trans	75.2	129.4	169.4	-58.1	-171.4	150.8	0	0	117.9
510	G	25.9	Very low	35.9	Very low	79 Å²	79	134 Å²	134	81%	0.814	72%	0.722	S	S	*	*			trans	-90.5	175.7	-172.8	0	0	0	0	0	113.7
511	G	23.4	Very low	33.5	Very low	71 Å²	71	139 Å²	139	73%	0.732	74%	0.744	S	S	*	*			trans	96.3	106.4	163.5	0	0	0	0	0	114.3
512	L	27.6	Very low	31.2	Very low	178 Å²	178	144.1 Å²	144.1	93%	0.932	78%	0.781	S	S	*	*			trans	31.5	101.2	141	-68.3	151	0	0	0	117.3
513	S	20.8	Very low	29.1	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	80%	0.798	S	S	*	*			trans	-167.6	121.7	131.7	134.4	0	0	0	0	109.1
514	W	24.3	Very low	27.7	Very low	256 Å²	256	148.1 Å²	148.1	97%	0.97	82%	0.817	S	S	*	*			trans	-90	118.1	159.5	-71	90	0	0	0	105.4
515	E	23.9	Very low	26.9	Very low	169 Å²	169	155.6 Å²	155.6	79%	0.79	83%	0.833	S	S	*	*			trans	-169.7	120.5	145.8	-108.1	166.4	-167.8	0	0	111.6
516	R	25.2	Very low	26.3	Very low	223 Å²	223	156.7 Å²	156.7	84%	0.842	84%	0.843	S	S	*	*			trans	56.6	105.6	134.8	-169.5	174.3	-83.7	153.3	-6.9	118.8
517	E	23.9	Very low	25.6	Very low	201 Å²	201	151 Å²	151	94%	0.939	83%	0.834	S	S	*	*			trans	-154.4	97.6	134	-110.7	173	-168.7	0	0	108.7
518	E	25.8	Very low	25.9	Very low	191 Å²	191	145 Å²	145	89%	0.893	83%	0.827	S	S	*	*			trans	-101.8	124.8	162.4	-91.4	-173.9	161.2	0	0	108.5
519	A	26.3	Very low	25.6	Very low	103 Å²	103	151.6 Å²	151.6	85%	0.851	84%	0.84	S	S	*	*			trans	43.8	107.3	136.9	0	0	0	0	0	120.5
520	A	24.6	Very low	25.5	Very low	101 Å²	101	149 Å²	149	84%	0.835	83%	0.832	S	S	*	*				-140.2	129.4	127.8	0	0	0	0	0	104.8
521	D	23.4	Very low	25.5	Very low	140 Å²	140	150 Å²	150	75%	0.749	83%	0.826	S	S	*	*			cis	-157.5	134.8	42.3	-161.1	0.1	0	0	0	110.2
522	S	26.1	Very low	25.9	Very low	118 Å²	118	151.8 Å²	151.8	83%	0.825	83%	0.828	S	S	*	*			trans	-138.6	88.7	167.9	67.1	0	0	0	0	108.5
523	T	25.3	Very low	25.8	Very low	121 Å²	121	151.9 Å²	151.9	74%	0.742	82%	0.824	S	S	*	*			trans	-134.8	97	166.4	56	0	0	0	0	111.2
524	A	26.6	Very low	26.6	Very low	98 Å²	98	151.4 Å²	151.4	81%	0.81	82%	0.816	S	S	*	*			trans	-173.4	83.3	147.3	0	0	0	0	0	106.6
525	R	27	Very low	27	Very low	247 Å²	247	141.8 Å²	141.8	93%	0.932	78%	0.783	S	S	*	*				45.5	114.2	95.4	-79.7	-167	177	179.2	1.4	114.8
526	D	26.6	Very low	27.6	Very low	172 Å²	172	141.7 Å²	141.7	92%	0.92	78%	0.783	S	S	*	*			trans	-54.8	136.1	164.8	-57.1	-63.4	0	0	0	112.8
527	A	24.2	Very low	28	Very low	86 Å²	86	136.3 Å²	136.3	71%	0.711	77%	0.771	S	S	*	*			trans	-146.9	139.7	145.1	0	0	0	0	0	109
528	P	38.1	Very low	29	Very low	119 Å²	119	132.6 Å²	132.6	77%	0.773	75%	0.748	S	S	*	*			trans	-87.8	126.6	-177.6	33.6	-28.2	0	0	0	109.6
529	F	23	Very low	29.4	Very low	197 Å²	197	130.5 Å²	130.5	86%	0.864	74%	0.743	S	S	*	*			trans	-142.3	144.8	167.9	-106.7	-87	0	0	0	112.5
530	L	23.1	Very low	29.8	Very low	150 Å²	150	131 Å²	131	79%	0.785	73%	0.732	S	S	*	*			trans	-67.8	155.8	-167.6	-75.8	133.9	0	0	0	113.9
531	S	26.8	Very low	30.5	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	70%	0.703	S	S	*	*	S	Bend	trans	0.1	147.7	150.1	60.1	0	0	0	0	120.4
532	S	30.5	Very low	31.1	Very low	109 Å²	109	128.9 Å²	128.9	76%	0.762	70%	0.703	S	S	*	*			trans	75.6	96.9	158.9	76.3	0	0	0	0	117.4
533	Q	26.5	Very low	31.3	Very low	180 Å²	180	129.9 Å²	129.9	84%	0.841	70%	0.696	S	S	*	*			trans	-157.6	77	146.4	-117.3	154.3	-19.8	0	0	108.3
534	V	37.7	Very low	31.6	Very low	100 Å²	100	131.1 Å²	131.1	61%	0.606	69%	0.694	S	S	*	*			trans	-84.4	145.9	149.6	177.8	0	0	0	0	104.5	N332	N332-V534 WeakPolarHBondContact ND2-CG1 3.31Å
535	D	33.3	Very low	32.3	Very low	54 Å²	54	131.6 Å²	131.6	29%	0.289	68%	0.678	S	S	.	*			trans	89.5	65.6	179.1	-51.9	-45.5	0	0	0	116.4	Y308	Y308-D535 WeakPolarHBondContact CB-OD2 3.32Å; Y308-D535 HydrophobicContact CD2-CB 4.37Å
536	Q	35.1	Very low	32.7	Very low	167 Å²	167	128.6 Å²	128.6	78%	0.78	67%	0.674	S	S	*	*			trans	-161.1	46.3	147.6	-117.9	159.8	13.6	0	0	114.9
537	D	34.7	Very low	33	Very low	110 Å²	110	127.3 Å²	127.3	59%	0.588	67%	0.667	S	S	*	*			trans	-121.1	47.1	-178.7	-76.5	-19.1	0	0	0	113.4	F541	D537-F541 HydrophobicContact CB-CD2 4.28Å; D537-F541 VanDerWaalsContact O-CB 3.24Å; D537-F541 WeakPolarHBondContact O-CB 3.16Å
538	W	45.3	Very low	33.5	Very low	122 Å²	122	131.9 Å²	131.9	46%	0.462	67%	0.674	S	S	.	*	S	Bend	trans	-125.1	-28.3	176.3	-71.3	108.8	0	0	0	115.6	S351 L375	S351-W538 WeakPolarHBondContact OG-CH2 3.43Å; S351-W538 WeakPolarHBondContact OG-CZ2 3.45Å; L375-W538 HydrophobicContact CB-CH2 4.26Å; L375-W538 HydrophobicContact CD1-CH2 3.6Å; L375-W538 HydrophobicContact CD1-CZ2 4.17Å; L375-W538 HydrophobicContact CD2-CH2 4.35Å; L375-W538 HydrophobicContact CD2-CZ2 4.46Å; L375-W538 HydrophobicContact CG-CH2 4.26Å
539	D	33.1	Very low	33.4	Very low	148 Å²	148	131.6 Å²	131.6	79%	0.791	67%	0.672	S	S	*	*	S	Bend	trans	-89.7	-25.8	173.3	-74.2	-41.8	0	0	0	113.3
540	D	33.8	Very low	33.8	Very low	113 Å²	113	131 Å²	131	60%	0.604	67%	0.669	S	S	*	*	S	Bend	trans	-80.8	-21.6	168.6	-104.5	-6.8	0	0	0	112.3	L542 M543 E544	D540-L542 VanDerWaalsContact C-N 3.33Å; D540-L542 PolarHBondContact O-N 2.77Å; D540-M543 PolarHBondContact O-N 3.29Å; D540-M543 VanDerWaalsContact O-N 3.14Å; D540-E544 PolarHBondContact O-N 3.34Å
541	F	39.3	Very low	34.5	Very low	55 Å²	55	128.7 Å²	128.7	24%	0.241	66%	0.663	C	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-20.2	-176.2	-144	-93.8	0	0	0	113.6	D537 F545	D537-F541 HydrophobicContact CB-CD2 4.28Å; D537-F541 VanDerWaalsContact O-CB 3.24Å; D537-F541 WeakPolarHBondContact O-CB 3.16Å; F541-F545 HydrophobicContact CD1-CE2 4.32Å; F541-F545 HydrophobicContact CE1-CE2 4.41Å; F541-F545 VanDerWaalsContact O-CD2 3.29Å; F541-F545 WeakPolarHBondContact O-CD2 3.4Å
542	L	37.5	Very low	35.1	Very low	141 Å²	141	131.5 Å²	131.5	74%	0.738	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-15.7	170.9	-81.2	167.3	0	0	0	113	D540	D540-L542 VanDerWaalsContact C-N 3.33Å; D540-L542 PolarHBondContact O-N 2.77Å
543	M	30	Very low	36.2	Very low	140 Å²	140	133.1 Å²	133.1	69%	0.69	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-14.8	173	-74.9	-164.7	-70.6	0	0	113.4	D540 F545	D540-M543 PolarHBondContact O-N 3.29Å; D540-M543 VanDerWaalsContact O-N 3.14Å; M543-F545 PolarHBondContact O-N 3.31Å
544	E	31.5	Very low	38	Very low	147 Å²	147	127.7 Å²	127.7	69%	0.687	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	5.6	174.6	-144.8	-178.4	179.6	0	0	114.1	D540	D540-E544 PolarHBondContact O-N 3.34Å
545	F	40.3	Very low	40	Very low	108 Å²	108	124.2 Å²	124.2	47%	0.474	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.3	2.9	178.2	-88.6	-72.3	0	0	0	115.2	F541 M543	F541-F545 HydrophobicContact CD1-CE2 4.32Å; F541-F545 HydrophobicContact CE1-CE2 4.41Å; F541-F545 VanDerWaalsContact O-CD2 3.29Å; F541-F545 WeakPolarHBondContact O-CD2 3.4Å; M543-F545 PolarHBondContact O-N 3.31Å
546	E	36.2	Very low	42.5	Very low	183 Å²	183	127 Å²	127	86%	0.855	63%	0.633	S	S	*	*	S	Bend	trans	-131.7	14.3	179.4	-99.2	-169	172.6	0	0	117	E548	E546-E548 PolarHBondContact O-N 3.23Å
547	D	33	Very low	44.9	Very low	146 Å²	146	119.2 Å²	119.2	78%	0.781	60%	0.596	S	S	*	*			trans	-99	87	164.8	-86.6	-27.1	0	0	0	110.3	P549	D547-P549 WeakPolarHBondContact O-CD 3.22Å
548	E	34.1	Very low	47.2	Very low	182 Å²	182	115.5 Å²	115.5	85%	0.85	58%	0.579	S	S	*	*			trans	-56	107.9	149.4	-87.4	-89.3	145.3	0	0	107.3	E546 K550	E546-E548 PolarHBondContact O-N 3.23Å; E548-K550 PolarHBondContact O-N 2.94Å
549	P	37.6	Very low	48.8	Very low	113 Å²	113	112 Å²	112	73%	0.734	57%	0.572	S	S	*	*			trans	-65.3	119.5	171.3	27.7	-30.6	0	0	0	107	D547	D547-P549 WeakPolarHBondContact O-CD 3.22Å
550	K	30	Very low	50.7	Low	183 Å²	183	109.6 Å²	109.6	80%	0.796	56%	0.563	S	S	*	*			trans	-28	138.7	169.2	-74.3	170.5	178.7	167.4	0	111.3	E548 Q552	E548-K550 PolarHBondContact O-N 2.94Å; K550-Q552 PolarHBondContact O-N 3.38Å
551	P	38	Very low	52.7	Low	103 Å²	103	105.8 Å²	105.8	67%	0.669	55%	0.545	S	S	*	.			trans	-63.2	95.5	-167.4	27.6	-34.6	0	0	0	110.7	H553	P551-H553 PolarHBondContact O-N 3.28Å
552	Q	39.8	Very low	54.1	Low	157 Å²	157	104.5 Å²	104.5	73%	0.734	55%	0.547	S	S	*	.			trans	-72.1	104.9	157.6	-74.6	-170.7	-16.2	0	0	105.8	K550 S554	K550-Q552 PolarHBondContact O-N 3.38Å; Q552-S554 PolarHBondContact O-N 2.99Å; Q552-S554 VanDerWaalsContact O-N 3.1Å
553	H	54.1	Low	55.5	Low	143 Å²	143	99.1 Å²	99.1	66%	0.662	52%	0.52	S	S	*	.			trans	-63.4	-11.8	-180	-78.5	-72.5	0	0	0	113.2	P551	P551-H553 PolarHBondContact O-N 3.28Å
554	S	64.4	Low	57.4	Low	67 Å²	67	94.7 Å²	94.7	47%	0.469	50%	0.497	S	S	.	.	S	Bend	trans	-91.4	131.9	-178.7	57.1	0	0	0	0	113.2	Q552	Q552-S554 PolarHBondContact O-N 2.99Å; Q552-S554 VanDerWaalsContact O-N 3.1Å
555	V	79.2	Confident	59.4	Low	26 Å²	26	90.9 Å²	90.9	16%	0.158	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-75.9	122.6	170.3	179	0	0	0	0	109.5	R488 M490 F501	R488-V555 CarbonylContact O-C 3.54Å; R488-V555 WeakPolarHBondContact O-CA 3.42Å; M490-V555 HydrophobicContact CE-CG1 3.45Å; M490-V555 VanDerWaalsContact CE-CG1 3.45Å; M490-V555 HydrophobicContact SD-CG1 4.35Å; F501-V555 HydrophobicContact CB-CG1 4.19Å
556	H	84.5	Confident	61	Low	114 Å²	114	86.5 Å²	86.5	53%	0.528	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.6	171.1	-169.7	75.1	0	0	0	109.8	R488 V489 M490	R488-H556 PolarHBondContact O-N 3.35Å; V489-H556 WeakPolarHBondContact CA-O 3.28Å; M490-H556 PolarHBondContact N-O 2.98Å
557	C	86.4	Confident	62.7	Low	2 Å²	2	78.7 Å²	78.7	1%	0.014	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127	175.2	-169.2	0	0	0	0	111.1	M490 C498 I502 T560	M490-C557 HydrophobicContact CG-CB 3.5Å; M490-C557 VanDerWaalsContact CG-CB 3.5Å; M490-C557 WeakPolarHBondContact CG-SG 3.32Å; M490-C557 VanDerWaalsContact O-CA 3.27Å; M490-C557 WeakPolarHBondContact O-CA 3.12Å; M490-C557 HydrophobicContact SD-CB 3.84Å; M490-C557 PolarHBondContact SD-SG 2.97Å; C498-C557 WeakPolarHBondContact CA-SG 3.46Å; C498-C557 HydrophobicContact CB-CB 3.56Å; C498-C557 WeakPolarHBondContact CB-SG 3.44Å; C498-C557 WeakPolarHBondContact SG-CB 3.29Å; C498-C557 CovalentContact SG-SG 2Å; C498-C557 PolarHBondContact SG-SG 3.32Å; I502-C557 HydrophobicContact CD1-CB 4.1Å; C557-T560 WeakPolarHBondContact O-CG2 3.41Å
558	S	82.7	Confident	64.5	Low	33 Å²	33	76.1 Å²	76.1	23%	0.231	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.4	172.6	73.2	0	0	0	0	110.3	M490 E491 L492	M490-S558 PolarHBondContact O-N 3.23Å; E491-S558 CarbonylContact C-O 3.56Å; E491-S558 WeakPolarHBondContact CA-O 3.43Å; E491-S558 WeakPolarHBondContact CB-OG 3.49Å; E491-S558 WeakPolarHBondContact CG-OG 3.46Å; L492-S558 PolarHBondContact N-O 3.31Å
559	P	79.8	Confident	66.7	Low	49 Å²	49	72 Å²	72	32%	0.318	39%	0.386	S	S	.	.	S	Bend	cis	-72.3	138.8	-7.9	28.4	-31.5	0	0	0	112.4	L492 A495 C498	L492-P559 WeakPolarHBondContact O-CD 3.08Å; A495-P559 WeakPolarHBondContact CA-O 3.22Å; A495-P559 HydrophobicContact CB-CB 4.42Å; A495-P559 HydrophobicContact CB-CG 3.99Å; A495-P559 WeakPolarHBondContact CB-O 3.41Å; C498-P559 PolarHBondContact SG-O 3Å
560	T	73.3	Confident	68.7	Low	96 Å²	96	66.6 Å²	66.6	59%	0.589	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-67.4	135.3	-176.6	52.2	0	0	0	0	112.2	C557	C557-T560 WeakPolarHBondContact O-CG2 3.41Å
561	P	74.1	Confident	71.2	Confident	34 Å²	34	57.9 Å²	57.9	22%	0.221	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-57.8	146.4	169.6	-19.5	29.5	0	0	0	111.6	C498 I502 C567	C498-P561 HydrophobicContact CB-CG 3.94Å; I502-P561 VanDerWaalsContact CD1-CD 3.45Å; I502-P561 HydrophobicContact CD1-CG 3.88Å; P561-C567 VanDerWaalsContact CB-SG 3.56Å
562	G	69.8	Low	73	Confident	28 Å²	28	54.4 Å²	54.4	29%	0.289	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-149.7	179.3	-177.4	0	0	0	0	0	112.7	F564 R565	G562-F564 PolarHBondContact O-N 3.13Å; G562-R565 PolarHBondContact N-O 3.34Å; G562-R565 CarbonylContact O-C 3.27Å; G562-R565 WeakPolarHBondContact O-CA 3.45Å; G562-R565 PolarHBondContact O-N 3.1Å
563	P	65.6	Low	75.1	Confident	27 Å²	27	49.1 Å²	49.1	18%	0.175	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.5	-176.4	20.9	-31.6	0	0	0	114.4	P822 E823 K826	P563-P822 HydrophobicContact CG-CB 3.44Å; P563-P822 VanDerWaalsContact CG-CB 3.44Å; P563-P822 HydrophobicContact CG-CG 3.69Å; P563-E823 WeakPolarHBondContact CB-OE1 3.42Å; P563-K826 HydrophobicContact CB-CD 4.44Å; P563-K826 PolarHBondContact O-NZ 3.35Å
564	F	70.6	Confident	76.5	Confident	47 Å²	47	50.1 Å²	50.1	21%	0.206	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.2	174.6	-64.2	-79.1	0	0	0	113.9	G562 S732 F733 L737 P822 A825 K826 L829	G562-F564 PolarHBondContact O-N 3.13Å; F564-S732 PolarHBondContact O-N 2.93Å; F564-S732 PolarHBondContact O-OG 2.84Å; F564-F733 AromaticContact CD1-CD2 3.89Å; F564-F733 HydrophobicContact CD1-CD2 3.89Å; F564-F733 AromaticContact CD1-CE2 3.97Å; F564-F733 HydrophobicContact CD1-CE2 3.97Å; F564-L737 HydrophobicContact CD1-CD1 3.62Å; F564-L737 HydrophobicContact CE1-CD1 3.71Å; F564-L737 HydrophobicContact CG-CD1 4.4Å; F564-P822 HydrophobicContact CE2-CB 4.26Å; F564-A825 HydrophobicContact CE2-CB 4.37Å; F564-A825 HydrophobicContact CZ-CB 3.91Å; F564-K826 HydrophobicContact CE1-CB 4.31Å; F564-K826 HydrophobicContact CZ-CB 4.26Å; F564-L829 HydrophobicContact CE1-CD2 4.28Å
565	R	73.6	Confident	77.4	Confident	68 Å²	68	53.3 Å²	53.3	26%	0.257	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-137.6	68.2	172.6	-67.9	-170.8	-178	-169.5	-4.1	110.2	A495 G562 S730 S732	A495-R565 HydrophobicContact CB-CB 4.44Å; G562-R565 PolarHBondContact N-O 3.34Å; G562-R565 CarbonylContact O-C 3.27Å; G562-R565 WeakPolarHBondContact O-CA 3.45Å; G562-R565 PolarHBondContact O-N 3.1Å; R565-S730 PolarHBondContact NE-O 2.7Å; R565-S730 PolarHBondContact NH2-O 2.79Å; R565-S732 WeakPolarHBondContact CA-OG 3.06Å
566	P	73.3	Confident	77.7	Confident	16 Å²	16	52.6 Å²	52.6	10%	0.104	28%	0.279	C	S	.	.			trans	-76.1	149.1	-170.4	30.6	-34.5	0	0	0	112.4	R569 L570 F641	P566-R569 VanDerWaalsContact CB-O 3.23Å; P566-R569 WeakPolarHBondContact CB-O 3.39Å; P566-R569 WeakPolarHBondContact CG-O 3.24Å; P566-L570 HydrophobicContact CG-CD1 4.49Å; P566-F641 HydrophobicContact CG-CD1 4.25Å; P566-F641 HydrophobicContact CG-CE1 4.38Å; P566-F641 WeakPolarHBondContact O-CD1 3.03Å
567	C	72.4	Confident	77.9	Confident	19 Å²	19	47.9 Å²	47.9	13%	0.128	26%	0.257	C	S	.	.	S	Bend	trans	-79.6	-51	177.4	-61.9	0	0	0	0	113.3	C499 P561 W642	C499-C567 HydrophobicContact CB-CB 3.53Å; C499-C567 WeakPolarHBondContact CB-SG 3.39Å; C499-C567 WeakPolarHBondContact SG-CA 3.19Å; C499-C567 WeakPolarHBondContact SG-CB 3.39Å; C499-C567 CovalentContact SG-SG 2.02Å; C499-C567 PolarHBondContact SG-SG 3.39Å; P561-C567 VanDerWaalsContact CB-SG 3.56Å; C567-W642 VanDerWaalsContact O-CB 3.26Å; C567-W642 WeakPolarHBondContact O-CB 3.25Å; C567-W642 PolarHBondContact O-N 3.35Å
568	L	70.9	Confident	78.1	Confident	92 Å²	92	49.9 Å²	49.9	48%	0.482	28%	0.278	S	S	.	.	S	Bend	trans	-102.1	-40.1	-166.1	-68.5	169.7	0	0	0	113.8	G639 S640 F641	L568-G639 CarbonylContact O-C 3.28Å; L568-G639 VanDerWaalsContact O-C 3.28Å; L568-G639 VanDerWaalsContact O-CA 3.24Å; L568-G639 WeakPolarHBondContact O-CA 3.42Å; L568-G639 PolarHBondContact O-N 3.02Å; L568-S640 PolarHBondContact O-N 3.2Å; L568-F641 PolarHBondContact O-N 3.23Å
569	R	80.5	Confident	78.4	Confident	94 Å²	94	49.1 Å²	49.1	36%	0.355	28%	0.276	S	S	.	.			trans	-138.7	124.2	-170.8	-62	176.2	-176.8	168.6	3.2	109.2	P566 L571 G572	P566-R569 VanDerWaalsContact CB-O 3.23Å; P566-R569 WeakPolarHBondContact CB-O 3.39Å; P566-R569 WeakPolarHBondContact CG-O 3.24Å; R569-L571 PolarHBondContact O-N 3.28Å; R569-G572 PolarHBondContact O-N 3.14Å
570	L	80.4	Confident	79	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-56.9	-53	-179	179.2	61	0	0	0	111.1	P566 V633 D634 F641 F733 K826	P566-L570 HydrophobicContact CG-CD1 4.49Å; L570-V633 HydrophobicContact CD2-CB 4.26Å; L570-V633 HydrophobicContact CD2-CG1 3.83Å; L570-D634 HydrophobicContact CB-CB 4.1Å; L570-D634 WeakPolarHBondContact CB-OD1 3.34Å; L570-D634 HydrophobicContact CD2-CB 4.27Å; L570-D634 PolarHBondContact N-OD1 3.19Å; L570-F641 HydrophobicContact CB-CD2 3.99Å; L570-F641 HydrophobicContact CB-CE2 4.19Å; L570-F641 HydrophobicContact CB-CG 4.4Å; L570-F641 HydrophobicContact CD1-CD2 4.42Å; L570-F641 HydrophobicContact CD1-CE1 4.27Å; L570-F641 HydrophobicContact CD1-CE2 3.81Å; L570-F641 HydrophobicContact CD1-CZ 3.73Å; L570-F641 HydrophobicContact CD2-CE2 4.27Å; L570-F641 HydrophobicContact CG-CE2 4.31Å; L570-F733 HydrophobicContact CD1-CD1 4.02Å; L570-F733 HydrophobicContact CD1-CE1 3.67Å; L570-F733 HydrophobicContact CD1-CZ 4.28Å; L570-F733 HydrophobicContact CG-CD1 4.36Å; L570-F733 HydrophobicContact CG-CE1 3.85Å; L570-F733 WeakPolarHBondContact O-CE1 3.34Å; L570-F733 WeakPolarHBondContact O-CZ 3.39Å; L570-K826 PolarHBondContact O-NZ 2.96Å
571	L	81.4	Confident	79.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-81.2	-18.6	179.6	-63.7	175	0	0	0	113.7	R569 S573 I576 R577 D634 F733 K826 L830	R569-L571 PolarHBondContact O-N 3.28Å; L571-S573 PolarHBondContact O-N 3.03Å; L571-I576 HydrophobicContact CB-CG2 4.42Å; L571-I576 HydrophobicContact CD2-CG2 4.22Å; L571-R577 HydrophobicContact CD1-CB 4.2Å; L571-R577 HydrophobicContact CD1-CG 4.32Å; L571-D634 HydrophobicContact CD1-CB 3.8Å; L571-D634 HydrophobicContact CG-CB 3.84Å; L571-D634 PolarHBondContact N-OD1 3.17Å; L571-F733 HydrophobicContact CD2-CE1 4.21Å; L571-K826 WeakPolarHBondContact O-CE 3.45Å; L571-K826 PolarHBondContact O-NZ 2.94Å; L571-L830 HydrophobicContact CD2-CD1 3.73Å
572	G	76.8	Confident	80.8	Confident	31 Å²	31	52.3 Å²	52.3	32%	0.32	28%	0.275	S	S	.	.			trans	72.6	-61.8	176.3	0	0	0	0	0	114.8	R569	R569-G572 PolarHBondContact O-N 3.14Å
573	S	82.6	Confident	81.8	Confident	45 Å²	45	51.5 Å²	51.5	32%	0.315	26%	0.264	S	S	.	.			trans	-98.3	139	-173.1	175.6	0	0	0	0	113.3	L571 M575 I576 R577	L571-S573 PolarHBondContact O-N 3.03Å; S573-M575 VanDerWaalsContact C-N 3.27Å; S573-M575 PolarHBondContact O-N 3.49Å; S573-M575 PolarHBondContact OG-N 3.37Å; S573-I576 PolarHBondContact O-N 2.83Å; S573-R577 PolarHBondContact O-N 3.33Å
574	W	83.6	Confident	83.1	Confident	165 Å²	165	50.3 Å²	50.3	63%	0.625	26%	0.256	S	S	*	.	H	α-helix	trans	-63.5	-31.2	173	-78.3	110.2	0	0	0	112.9	G578 F638	W574-G578 PolarHBondContact O-N 3.48Å; W574-F638 HydrophobicContact CH2-CE2 4.08Å; W574-F638 HydrophobicContact CH2-CZ 4.05Å; W574-F638 HydrophobicContact CZ2-CE2 4.31Å; W574-F638 AromaticContact CZ2-CZ 3.96Å; W574-F638 HydrophobicContact CZ2-CZ 3.96Å
575	M	84	Confident	84.2	Confident	133 Å²	133	50.7 Å²	50.7	66%	0.655	27%	0.268	S	S	*	.	H	α-helix	trans	-65.9	-46	175.7	-68.2	-176.1	69.5	0	0	111.3	F14 S573 G578 G579	F14-M575 HydrophobicContact CE1-CE 4.41Å; F14-M575 HydrophobicContact CZ-CE 3.86Å; S573-M575 VanDerWaalsContact C-N 3.27Å; S573-M575 PolarHBondContact O-N 3.49Å; S573-M575 PolarHBondContact OG-N 3.37Å; M575-G578 PolarHBondContact O-N 2.99Å; M575-G579 PolarHBondContact O-N 2.88Å
576	I	86.1	Confident	85	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.056	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-45.6	177.3	-61.6	176.5	0	0	0	109.7	L571 S573 G578 G579 V580 K826 L830 L831	L571-I576 HydrophobicContact CB-CG2 4.42Å; L571-I576 HydrophobicContact CD2-CG2 4.22Å; S573-I576 PolarHBondContact O-N 2.83Å; I576-G578 PolarHBondContact O-N 3.3Å; I576-G579 PolarHBondContact O-N 3.08Å; I576-V580 HydrophobicContact CG2-CG2 4.06Å; I576-V580 VanDerWaalsContact O-CG2 3.28Å; I576-V580 WeakPolarHBondContact O-CG2 3.32Å; I576-V580 PolarHBondContact O-N 2.83Å; I576-K826 HydrophobicContact CD1-CD 4.39Å; I576-K826 HydrophobicContact CD1-CG 4.2Å; I576-L830 HydrophobicContact CG2-CB 4.15Å; I576-L830 HydrophobicContact CG2-CD1 3.9Å; I576-L831 HydrophobicContact CG1-CD1 4.35Å
577	R	88.9	Confident	86	Confident	15 Å²	15	48.7 Å²	48.7	6%	0.057	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-50.4	178.1	-176.9	179	-70.5	138.7	-5.5	112.5	L571 S573 G579 V580 W581 D634	L571-R577 HydrophobicContact CD1-CB 4.2Å; L571-R577 HydrophobicContact CD1-CG 4.32Å; S573-R577 PolarHBondContact O-N 3.33Å; R577-G579 VanDerWaalsContact C-N 3.31Å; R577-G579 PolarHBondContact O-N 2.89Å; R577-V580 PolarHBondContact O-N 3.45Å; R577-W581 VanDerWaalsContact O-CD1 3.31Å; R577-W581 PolarHBondContact O-N 2.97Å; R577-W581 VanDerWaalsContact O-N 3.11Å; R577-D634 IonicContact CZ-OD2 3.99Å; R577-D634 IonicContact NE-OD2 3.31Å; R577-D634 PolarHBondContact NE-OD2 3.35Å; R577-D634 IonicContact NH2-OD1 3.74Å; R577-D634 PolarHBondContact NH2-OD1 3.25Å; R577-D634 IonicContact NH2-OD2 3.72Å; R577-D634 PolarHBondContact NH2-OD2 3.18Å
578	G	88.8	Confident	86.9	Confident	44 Å²	44	51.2 Å²	51.2	45%	0.454	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-42.7	177.3	0	0	0	0	0	111.9	W574 M575 I576 L582	W574-G578 PolarHBondContact O-N 3.48Å; M575-G578 PolarHBondContact O-N 2.99Å; I576-G578 PolarHBondContact O-N 3.3Å; G578-L582 WeakPolarHBondContact O-CB 3.31Å; G578-L582 PolarHBondContact O-N 3.23Å
579	G	89.9	Confident	87.8	Confident	18 Å²	18	51.4 Å²	51.4	19%	0.186	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-46.7	176.8	0	0	0	0	0	113.5	M575 I576 R577 W581 L582 I583	M575-G579 PolarHBondContact O-N 2.88Å; I576-G579 PolarHBondContact O-N 3.08Å; R577-G579 VanDerWaalsContact C-N 3.31Å; R577-G579 PolarHBondContact O-N 2.89Å; G579-W581 PolarHBondContact O-N 3.04Å; G579-L582 PolarHBondContact O-N 3.02Å; G579-I583 WeakPolarHBondContact O-CB 2.99Å; G579-I583 VanDerWaalsContact O-CG1 3.26Å; G579-I583 WeakPolarHBondContact O-CG1 3.01Å; G579-I583 PolarHBondContact O-N 2.04Å
580	V	91.6	Very high	88.3	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-63	-42.3	179.1	175.4	0	0	0	0	111	I576 R577 I583 A584 S627 A631 L830 L831	I576-V580 HydrophobicContact CG2-CG2 4.06Å; I576-V580 VanDerWaalsContact O-CG2 3.28Å; I576-V580 WeakPolarHBondContact O-CG2 3.32Å; I576-V580 PolarHBondContact O-N 2.83Å; R577-V580 PolarHBondContact O-N 3.45Å; V580-I583 PolarHBondContact O-N 3.07Å; V580-A584 VanDerWaalsContact O-CB 3.23Å; V580-A584 WeakPolarHBondContact O-CB 3.27Å; V580-A584 PolarHBondContact O-N 3.3Å; V580-S627 WeakPolarHBondContact CG1-O 3.42Å; V580-A631 HydrophobicContact CG1-CB 4.07Å; V580-L830 HydrophobicContact CG2-CB 4.24Å; V580-L831 HydrophobicContact CG2-CD2 4.04Å
581	W	92.6	Very high	88.8	Confident	125 Å²	125	47.3 Å²	47.3	47%	0.473	27%	0.265	S	S	.	.	H	α-helix	trans	-63.1	-41.5	174.5	-86.4	106.9	0	0	0	112.5	R577 G579 A584 A585 A631	R577-W581 VanDerWaalsContact O-CD1 3.31Å; R577-W581 PolarHBondContact O-N 2.97Å; R577-W581 VanDerWaalsContact O-N 3.11Å; G579-W581 PolarHBondContact O-N 3.04Å; W581-A584 PolarHBondContact O-N 3.15Å; W581-A585 WeakPolarHBondContact O-CB 3.33Å; W581-A585 PolarHBondContact O-N 2.95Å; W581-A631 HydrophobicContact CD2-CB 4Å; W581-A631 HydrophobicContact CG-CB 4.37Å; W581-A631 HydrophobicContact CH2-CB 4.46Å; W581-A631 HydrophobicContact CZ2-CB 3.93Å
582	L	92.7	Very high	89.1	Confident	117 Å²	117	48.8 Å²	48.8	61%	0.613	28%	0.281	S	S	*	.	H	α-helix	trans	-64.1	-44.2	177.1	-178.9	64.6	0	0	0	111.6	G578 G579 A585 T586	G578-L582 WeakPolarHBondContact O-CB 3.31Å; G578-L582 PolarHBondContact O-N 3.23Å; G579-L582 PolarHBondContact O-N 3.02Å; L582-A585 PolarHBondContact O-N 3.37Å; L582-T586 VanDerWaalsContact O-CB 3.25Å; L582-T586 WeakPolarHBondContact O-CB 3.46Å; L582-T586 PolarHBondContact O-N 3.36Å; L582-T586 PolarHBondContact O-OG1 3.12Å
583	I	91.9	Very high	89.6	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-45.9	177.2	-71.5	168.7	0	0	0	110.3	G579 V580 T586 S587 L831 P834 L835 C838	G579-I583 WeakPolarHBondContact O-CB 2.99Å; G579-I583 VanDerWaalsContact O-CG1 3.26Å; G579-I583 WeakPolarHBondContact O-CG1 3.01Å; G579-I583 PolarHBondContact O-N 2.04Å; V580-I583 PolarHBondContact O-N 3.07Å; I583-T586 PolarHBondContact O-N 3.46Å; I583-S587 WeakPolarHBondContact O-CB 3.46Å; I583-S587 PolarHBondContact O-N 3.43Å; I583-S587 PolarHBondContact O-OG 2.98Å; I583-L831 HydrophobicContact CD1-CB 4.4Å; I583-L831 HydrophobicContact CD1-CD2 4Å; I583-L831 WeakPolarHBondContact CD1-O 3.37Å; I583-P834 HydrophobicContact CD1-CG 4.16Å; I583-P834 HydrophobicContact CG2-CB 3.85Å; I583-P834 HydrophobicContact CG2-CG 4.03Å; I583-L835 HydrophobicContact CD1-CD1 4.46Å; I583-C838 PolarHBondContact O-SG 3.07Å
584	A	93.1	Very high	89.8	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-56.4	-52.1	175.9	0	0	0	0	0	111.9	V580 W581 S587 L588 S628	V580-A584 VanDerWaalsContact O-CB 3.23Å; V580-A584 WeakPolarHBondContact O-CB 3.27Å; V580-A584 PolarHBondContact O-N 3.3Å; W581-A584 PolarHBondContact O-N 3.15Å; A584-S587 PolarHBondContact O-OG 3.26Å; A584-L588 WeakPolarHBondContact O-CB 3.3Å; A584-L588 VanDerWaalsContact O-CG 3.29Å; A584-L588 WeakPolarHBondContact O-CG 3.37Å; A584-L588 PolarHBondContact O-N 3.36Å; A584-S628 WeakPolarHBondContact CB-OG 3.46Å
585	A	92.8	Very high	89.9	Confident	55 Å²	55	41.9 Å²	41.9	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-47.8	-179.9	0	0	0	0	0	112	W581 L582 V589	W581-A585 WeakPolarHBondContact O-CB 3.33Å; W581-A585 PolarHBondContact O-N 2.95Å; L582-A585 PolarHBondContact O-N 3.37Å; A585-V589 WeakPolarHBondContact O-CB 3.28Å; A585-V589 VanDerWaalsContact O-CG2 3.28Å; A585-V589 WeakPolarHBondContact O-CG2 3.45Å; A585-V589 PolarHBondContact O-N 3.11Å; A585-V589 VanDerWaalsContact O-N 3.15Å
586	T	91.2	Very high	89.9	Confident	42 Å²	42	39.6 Å²	39.6	26%	0.258	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-50.2	-176.4	-53.6	0	0	0	0	110.8	L582 I583 L588 V589 S590 C838 L842	L582-T586 VanDerWaalsContact O-CB 3.25Å; L582-T586 WeakPolarHBondContact O-CB 3.46Å; L582-T586 PolarHBondContact O-N 3.36Å; L582-T586 PolarHBondContact O-OG1 3.12Å; I583-T586 PolarHBondContact O-N 3.46Å; T586-L588 PolarHBondContact O-N 3.19Å; T586-V589 PolarHBondContact O-N 3.48Å; T586-S590 WeakPolarHBondContact O-CB 3.31Å; T586-S590 PolarHBondContact O-N 3.06Å; T586-S590 PolarHBondContact O-OG 2.95Å; T586-C838 HydrophobicContact CG2-CB 4.14Å; T586-L842 HydrophobicContact CG2-CD1 3.97Å
587	S	93.1	Very high	89.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-43.7	-179	59.4	0	0	0	0	112.7	I583 A584 N591 G624	I583-S587 WeakPolarHBondContact O-CB 3.46Å; I583-S587 PolarHBondContact O-N 3.43Å; I583-S587 PolarHBondContact O-OG 2.98Å; A584-S587 PolarHBondContact O-OG 3.26Å; S587-N591 VanDerWaalsContact O-CB 3.23Å; S587-N591 WeakPolarHBondContact O-CB 3.32Å; S587-N591 PolarHBondContact O-N 2.87Å; S587-N591 PolarHBondContact O-ND2 2.97Å; S587-G624 WeakPolarHBondContact OG-CA 3.32Å
588	L	92.1	Very high	89.2	Confident	72 Å²	72	38.7 Å²	38.7	38%	0.377	23%	0.232	S	C	.	.	H	α-helix	trans	-64.7	-44.5	179	-72.1	175.3	0	0	0	111.9	A584 T586 G592 V625 S628	A584-L588 WeakPolarHBondContact O-CB 3.3Å; A584-L588 VanDerWaalsContact O-CG 3.29Å; A584-L588 WeakPolarHBondContact O-CG 3.37Å; A584-L588 PolarHBondContact O-N 3.36Å; T586-L588 PolarHBondContact O-N 3.19Å; L588-G592 PolarHBondContact O-N 3.44Å; L588-V625 HydrophobicContact CD2-CG2 3.91Å; L588-S628 WeakPolarHBondContact CD1-OG 3.21Å
589	V	90.9	Very high	88.9	Confident	96 Å²	96	41 Å²	41	58%	0.582	23%	0.23	S	C	*	.	H	α-helix	trans	-68.4	-52	-179.5	174	0	0	0	0	111	A585 T586 G592 L593	A585-V589 WeakPolarHBondContact O-CB 3.28Å; A585-V589 VanDerWaalsContact O-CG2 3.28Å; A585-V589 WeakPolarHBondContact O-CG2 3.45Å; A585-V589 PolarHBondContact O-N 3.11Å; A585-V589 VanDerWaalsContact O-N 3.15Å; T586-V589 PolarHBondContact O-N 3.48Å; V589-G592 PolarHBondContact O-N 3.3Å; V589-L593 HydrophobicContact CG1-CD1 4.22Å; V589-L593 WeakPolarHBondContact O-CG 3.16Å; V589-L593 PolarHBondContact O-N 3.04Å
590	S	90	Very high	88.3	Confident	5 Å²	5	46.5 Å²	46.5	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-66.6	-43.6	-175.2	61.3	0	0	0	0	112.2	T586 L593 V594 P841	T586-S590 WeakPolarHBondContact O-CB 3.31Å; T586-S590 PolarHBondContact O-N 3.06Å; T586-S590 PolarHBondContact O-OG 2.95Å; S590-L593 PolarHBondContact O-N 2.75Å; S590-V594 WeakPolarHBondContact O-CG2 3.13Å; S590-V594 PolarHBondContact O-N 3.43Å; S590-P841 WeakPolarHBondContact OG-CG 3.4Å
591	N	90.1	Very high	87.5	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-69.5	-37	177.3	-70.5	-68	0	0	0	111.8	S587 L593 V594 V595 A617 N620 A837 P841	S587-N591 VanDerWaalsContact O-CB 3.23Å; S587-N591 WeakPolarHBondContact O-CB 3.32Å; S587-N591 PolarHBondContact O-N 2.87Å; S587-N591 PolarHBondContact O-ND2 2.97Å; N591-L593 VanDerWaalsContact C-N 3.34Å; N591-L593 PolarHBondContact O-N 3.39Å; N591-V594 PolarHBondContact O-N 3.43Å; N591-V595 WeakPolarHBondContact O-CG2 3.49Å; N591-V595 PolarHBondContact O-N 3.42Å; N591-A617 HydrophobicContact CB-CB 4.34Å; N591-A617 WeakPolarHBondContact CB-O 3.42Å; N591-A617 WeakPolarHBondContact OD1-CA 3.47Å; N591-A617 PolarHBondContact OD1-O 3.47Å; N591-N620 WeakPolarHBondContact OD1-CB 2.98Å; N591-A837 PolarHBondContact ND2-O 3.02Å; N591-P841 WeakPolarHBondContact OD1-CB 3.45Å; N591-P841 WeakPolarHBondContact OD1-CG 3.13Å
592	G	88.6	Confident	85.9	Confident	31 Å²	31	45.5 Å²	45.5	32%	0.32	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-44.2	174.5	0	0	0	0	0	112.4	L588 V589 V594 V595 L596	L588-G592 PolarHBondContact O-N 3.44Å; V589-G592 PolarHBondContact O-N 3.3Å; G592-V594 PolarHBondContact O-N 2.97Å; G592-V595 PolarHBondContact O-N 2.94Å; G592-L596 WeakPolarHBondContact O-CB 3.16Å; G592-L596 VanDerWaalsContact O-CG 3.26Å; G592-L596 WeakPolarHBondContact O-CG 3.44Å; G592-L596 PolarHBondContact O-N 3.22Å
593	L	87	Confident	84.2	Confident	64 Å²	64	44.2 Å²	44.2	34%	0.335	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-40.9	175.5	-70	173.7	0	0	0	112.6	V589 S590 N591 L596 S597 L845 L855	V589-L593 HydrophobicContact CG1-CD1 4.22Å; V589-L593 WeakPolarHBondContact O-CG 3.16Å; V589-L593 PolarHBondContact O-N 3.04Å; S590-L593 PolarHBondContact O-N 2.75Å; N591-L593 VanDerWaalsContact C-N 3.34Å; N591-L593 PolarHBondContact O-N 3.39Å; L593-L596 PolarHBondContact O-N 3.22Å; L593-S597 PolarHBondContact O-N 3.01Å; L593-S597 PolarHBondContact O-OG 3.05Å; L593-L845 HydrophobicContact CB-CD1 4.38Å; L593-L855 HydrophobicContact CB-CD1 4.45Å; L593-L855 HydrophobicContact CD2-CD1 4.4Å; L593-L855 HydrophobicContact CD2-CD2 4.42Å
594	V	86	Confident	82.6	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-46.8	177.6	175.4	0	0	0	0	110.9	S590 N591 G592 L596 S597 V598 I613 A617 P841 Y844 L845	S590-V594 WeakPolarHBondContact O-CG2 3.13Å; S590-V594 PolarHBondContact O-N 3.43Å; N591-V594 PolarHBondContact O-N 3.43Å; G592-V594 PolarHBondContact O-N 2.97Å; V594-L596 VanDerWaalsContact C-N 3.31Å; V594-L596 PolarHBondContact O-N 3.41Å; V594-S597 WeakPolarHBondContact CA-OG 3.38Å; V594-S597 PolarHBondContact O-N 3.4Å; V594-S597 PolarHBondContact O-OG 3.03Å; V594-V598 HydrophobicContact CG1-CG2 4.29Å; V594-V598 WeakPolarHBondContact O-CG2 3.49Å; V594-V598 PolarHBondContact O-N 3.33Å; V594-I613 HydrophobicContact CG1-CG2 4.2Å; V594-A617 HydrophobicContact CB-CB 4.01Å; V594-A617 HydrophobicContact CG1-CB 3.75Å; V594-P841 HydrophobicContact CG2-CB 3.83Å; V594-Y844 HydrophobicContact CG1-CD1 4Å; V594-Y844 HydrophobicContact CG1-CE1 4.11Å; V594-Y844 HydrophobicContact CG2-CD1 3.86Å; V594-L845 HydrophobicContact CG2-CD1 4.21Å; V594-L845 HydrophobicContact CG2-CD2 4.13Å; V594-L845 HydrophobicContact CG2-CG 3.95Å
595	V	86.9	Confident	81.2	Confident	29 Å²	29	52.9 Å²	52.9	18%	0.176	31%	0.313	C	S	.	.	H	α-helix	trans	-58.7	-43.5	176.2	171.3	0	0	0	0	110.9	N591 G592 V598 F599 A617	N591-V595 WeakPolarHBondContact O-CG2 3.49Å; N591-V595 PolarHBondContact O-N 3.42Å; G592-V595 PolarHBondContact O-N 2.94Å; V595-V598 PolarHBondContact O-N 3.27Å; V595-F599 HydrophobicContact CG1-CD2 3.92Å; V595-F599 HydrophobicContact CG1-CE2 4.48Å; V595-F599 WeakPolarHBondContact O-CD2 3.49Å; V595-F599 PolarHBondContact O-N 3.25Å; V595-A617 HydrophobicContact CG2-CB 3.89Å
596	L	84.1	Confident	80	Confident	86 Å²	86	53.8 Å²	53.8	45%	0.45	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-46.1	175.1	-74.6	169.6	0	0	0	112.2	G592 L593 V594 V598 F600	G592-L596 WeakPolarHBondContact O-CB 3.16Å; G592-L596 VanDerWaalsContact O-CG 3.26Å; G592-L596 WeakPolarHBondContact O-CG 3.44Å; G592-L596 PolarHBondContact O-N 3.22Å; L593-L596 PolarHBondContact O-N 3.22Å; V594-L596 VanDerWaalsContact C-N 3.31Å; V594-L596 PolarHBondContact O-N 3.41Å; L596-V598 PolarHBondContact O-N 3.35Å; L596-F600 HydrophobicContact CD2-CD2 3.96Å; L596-F600 HydrophobicContact CD2-CE2 4.33Å; L596-F600 HydrophobicContact CD2-CG 4.4Å; L596-F600 WeakPolarHBondContact O-CB 3.39Å; L596-F600 PolarHBondContact O-N 3.33Å; L596-F600 VanDerWaalsContact O-N 3.16Å
597	S	80.4	Confident	79.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-39.9	178.4	66.3	0	0	0	0	113.1	L593 V594 S601	L593-S597 PolarHBondContact O-N 3.01Å; L593-S597 PolarHBondContact O-OG 3.05Å; V594-S597 WeakPolarHBondContact CA-OG 3.38Å; V594-S597 PolarHBondContact O-N 3.4Å; V594-S597 PolarHBondContact O-OG 3.03Å; S597-S601 WeakPolarHBondContact O-CB 3.44Å
598	V	79.8	Confident	78.3	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-80.6	-43.7	-171.9	170.9	0	0	0	0	112.1	V594 V595 L596 K610	V594-V598 HydrophobicContact CG1-CG2 4.29Å; V594-V598 WeakPolarHBondContact O-CG2 3.49Å; V594-V598 PolarHBondContact O-N 3.33Å; V595-V598 PolarHBondContact O-N 3.27Å; L596-V598 PolarHBondContact O-N 3.35Å; V598-K610 HydrophobicContact CG1-CB 4.45Å; V598-K610 WeakPolarHBondContact CG1-O 3.33Å
599	F	81.6	Confident	77.4	Confident	91 Å²	91	54.8 Å²	54.8	40%	0.399	32%	0.322	S	S	.	.	H	α-helix	trans	-97.6	-23.4	-171.8	-67.6	-75.8	0	0	0	114.2	V595 L611	V595-F599 HydrophobicContact CG1-CD2 3.92Å; V595-F599 HydrophobicContact CG1-CE2 4.48Å; V595-F599 WeakPolarHBondContact O-CD2 3.49Å; V595-F599 PolarHBondContact O-N 3.25Å; F599-L611 HydrophobicContact CE1-CD1 3.95Å; F599-L611 HydrophobicContact CZ-CD1 4.25Å
600	F	78.1	Confident	76.7	Confident	135 Å²	135	51.8 Å²	51.8	59%	0.592	30%	0.301	S	S	*	.	S	Bend	trans	-111.2	3.8	-173.6	-62.3	-91.7	0	0	0	113.9	L596 P602	L596-F600 HydrophobicContact CD2-CD2 3.96Å; L596-F600 HydrophobicContact CD2-CE2 4.33Å; L596-F600 HydrophobicContact CD2-CG 4.4Å; L596-F600 WeakPolarHBondContact O-CB 3.39Å; L596-F600 PolarHBondContact O-N 3.33Å; L596-F600 VanDerWaalsContact O-N 3.16Å; F600-P602 WeakPolarHBondContact O-CD 3.43Å
601	S	73.5	Confident	76.4	Confident	16 Å²	16	53.4 Å²	53.4	11%	0.112	31%	0.309	C	S	.	.			trans	-78.3	123.5	176	-177.6	0	0	0	0	111.7	S597 A603	S597-S601 WeakPolarHBondContact O-CB 3.44Å; S601-A603 VanDerWaalsContact C-N 3.28Å; S601-A603 PolarHBondContact O-N 2.94Å
602	P	60.6	Low	76	Confident	91 Å²	91	53.7 Å²	53.7	59%	0.591	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.2	-175	29.2	-33.2	0	0	0	115	F600	F600-P602 WeakPolarHBondContact O-CD 3.43Å
603	A	57.3	Low	75.8	Confident	89 Å²	89	53.1 Å²	53.1	74%	0.736	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	3.6	-168.2	0	0	0	0	0	115.7	S601	S601-A603 VanDerWaalsContact C-N 3.28Å; S601-A603 PolarHBondContact O-N 2.94Å
604	S	57.5	Low	75.7	Confident	40 Å²	40	50.1 Å²	50.1	28%	0.28	28%	0.284	S	S	.	.			trans	-138.9	140.6	-177.1	84.8	0	0	0	0	114.8	K610	S604-K610 PolarHBondContact OG-NZ 3.02Å
605	I	63.1	Low	75.8	Confident	156 Å²	156	51.4 Å²	51.4	80%	0.8	29%	0.291	S	S	*	.			trans	-70.2	127.7	166.8	-63.5	169	0	0	0	107.4	T607	I605-T607 PolarHBondContact O-N 3.01Å
606	V	68	Low	75.9	Confident	74 Å²	74	50.6 Å²	50.6	45%	0.448	29%	0.286	S	S	.	.			trans	-67.6	101.5	179.5	-177.7	0	0	0	0	109.5	L611	V606-L611 HydrophobicContact CG1-CB 3.9Å; V606-L611 HydrophobicContact CG1-CD1 4.49Å
607	T	74.1	Confident	76.1	Confident	70 Å²	70	46.7 Å²	46.7	43%	0.429	27%	0.266	S	S	.	.			trans	-74.1	152.5	171.3	57	0	0	0	0	110.3	I605 P609 K610 L611	I605-T607 PolarHBondContact O-N 3.01Å; T607-P609 VanDerWaalsContact C-N 3.32Å; T607-K610 PolarHBondContact O-N 3.16Å; T607-K610 WeakPolarHBondContact OG1-CG 3.42Å; T607-L611 PolarHBondContact O-N 3.37Å
608	T	73.8	Confident	76.6	Confident	46 Å²	46	51.1 Å²	51.1	28%	0.282	29%	0.289	S	S	.	.	H	α-helix	trans	-54.5	-40.2	-178.3	-45.5	0	0	0	0	113.8	L611 L612 I705	T608-L611 PolarHBondContact O-N 3.05Å; T608-L612 PolarHBondContact O-N 2.71Å; T608-L612 VanDerWaalsContact O-N 3.15Å; T608-I705 HydrophobicContact CG2-CB 3.99Å; T608-I705 HydrophobicContact CG2-CD1 3.66Å; T608-I705 HydrophobicContact CG2-CG1 4.39Å; T608-I705 HydrophobicContact CG2-CG2 3.42Å; T608-I705 VanDerWaalsContact CG2-CG2 3.42Å
609	P	73.4	Confident	77.2	Confident	20 Å²	20	50.8 Å²	50.8	13%	0.13	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-40.5	172.1	-31.5	41.3	0	0	0	115.9	T607 L611 L612 I613 R679 L788	T607-P609 VanDerWaalsContact C-N 3.32Å; P609-L611 VanDerWaalsContact C-N 3.34Å; P609-L612 PolarHBondContact O-N 3.42Å; P609-I613 WeakPolarHBondContact O-CG1 3.26Å; P609-I613 PolarHBondContact O-N 3.04Å; P609-I613 VanDerWaalsContact O-N 3.12Å; P609-R679 VanDerWaalsContact CB-NH2 3.29Å; P609-L788 HydrophobicContact CB-CD2 3.88Å; P609-L788 HydrophobicContact CG-CD2 4.31Å
610	K	77.6	Confident	77.7	Confident	32 Å²	32	47.1 Å²	47.1	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-40.8	177.6	-76.8	-169	-180	-170.3	0	110.5	V598 S604 T607 L612 I613 G614 E854	V598-K610 HydrophobicContact CG1-CB 4.45Å; V598-K610 WeakPolarHBondContact CG1-O 3.33Å; S604-K610 PolarHBondContact OG-NZ 3.02Å; T607-K610 PolarHBondContact O-N 3.16Å; T607-K610 WeakPolarHBondContact OG1-CG 3.42Å; K610-L612 VanDerWaalsContact C-N 3.32Å; K610-L612 PolarHBondContact O-N 3.33Å; K610-I613 PolarHBondContact O-N 3.25Å; K610-G614 PolarHBondContact O-N 3.38Å; K610-E854 IonicContact NZ-OE1 2.67Å; K610-E854 PolarHBondContact NZ-OE1 3.14Å; K610-E854 IonicContact NZ-OE2 3.14Å
611	L	83.1	Confident	78.4	Confident	40 Å²	40	41.4 Å²	41.4	21%	0.209	25%	0.25	C	S	.	.	H	α-helix	trans	-57.3	-45.4	174.8	179.3	63.9	0	0	0	111.7	F599 V606 T607 T608 P609 G614 L615 I709	F599-L611 HydrophobicContact CE1-CD1 3.95Å; F599-L611 HydrophobicContact CZ-CD1 4.25Å; V606-L611 HydrophobicContact CG1-CB 3.9Å; V606-L611 HydrophobicContact CG1-CD1 4.49Å; T607-L611 PolarHBondContact O-N 3.37Å; T608-L611 PolarHBondContact O-N 3.05Å; P609-L611 VanDerWaalsContact C-N 3.34Å; L611-G614 PolarHBondContact O-N 3.05Å; L611-L615 HydrophobicContact CD1-CD1 4.28Å; L611-L615 HydrophobicContact CD1-CG 4.41Å; L611-L615 HydrophobicContact CG-CD1 4.08Å; L611-L615 VanDerWaalsContact O-CG 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.17Å; L611-L615 PolarHBondContact O-N 3.32Å; L611-I709 HydrophobicContact CD2-CD1 4.23Å
612	L	82.3	Confident	79.3	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-38.8	-177.4	-164.6	68.8	0	0	0	112.7	T608 P609 K610 L615 L616 L671 V674 A675 I709	T608-L612 PolarHBondContact O-N 2.71Å; T608-L612 VanDerWaalsContact O-N 3.15Å; P609-L612 PolarHBondContact O-N 3.42Å; K610-L612 VanDerWaalsContact C-N 3.32Å; K610-L612 PolarHBondContact O-N 3.33Å; L612-L615 PolarHBondContact O-N 2.82Å; L612-L616 WeakPolarHBondContact O-CB 3.43Å; L612-L616 PolarHBondContact O-N 2.99Å; L612-L671 HydrophobicContact CD1-CB 4.42Å; L612-L671 HydrophobicContact CD1-CD2 3.79Å; L612-V674 HydrophobicContact CD1-CG1 4.45Å; L612-A675 HydrophobicContact CD2-CB 3.23Å; L612-A675 HydrophobicContact CG-CB 4.26Å; L612-I709 HydrophobicContact CD1-CD1 4.21Å; L612-I709 HydrophobicContact CD1-CG1 4.05Å
613	I	82.9	Confident	80.8	Confident	19 Å²	19	39.3 Å²	39.3	10%	0.097	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-41	173.5	-66.4	167.5	0	0	0	110.8	V594 P609 K610 L616 A617 L788 Y844	V594-I613 HydrophobicContact CG1-CG2 4.2Å; P609-I613 WeakPolarHBondContact O-CG1 3.26Å; P609-I613 PolarHBondContact O-N 3.04Å; P609-I613 VanDerWaalsContact O-N 3.12Å; K610-I613 PolarHBondContact O-N 3.25Å; I613-L616 PolarHBondContact O-N 3.04Å; I613-A617 WeakPolarHBondContact O-CB 3.28Å; I613-A617 PolarHBondContact O-N 3.36Å; I613-L788 HydrophobicContact CD1-CD1 4.05Å; I613-Y844 HydrophobicContact CD1-CD2 4.15Å; I613-Y844 HydrophobicContact CD1-CE2 3.81Å; I613-Y844 HydrophobicContact CG2-CD2 3.86Å; I613-Y844 HydrophobicContact CG2-CE2 3.86Å; I613-Y844 HydrophobicContact CG2-CG 4.23Å
614	G	84.5	Confident	82.4	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-41.2	174.9	0	0	0	0	0	112.9	K610 L611 A617 L618	K610-G614 PolarHBondContact O-N 3.38Å; L611-G614 PolarHBondContact O-N 3.05Å; G614-A617 PolarHBondContact O-N 2.78Å; G614-L618 PolarHBondContact O-N 3.47Å
615	L	89.3	Confident	84.1	Confident	29 Å²	29	36.2 Å²	36.2	15%	0.152	20%	0.203	C	C	.	.	H	α-helix	trans	-68.8	-39.1	175.3	-70.8	170.8	0	0	0	112.3	L611 L612 A617 L618 V619 L671 I709 F713	L611-L615 HydrophobicContact CD1-CD1 4.28Å; L611-L615 HydrophobicContact CD1-CG 4.41Å; L611-L615 HydrophobicContact CG-CD1 4.08Å; L611-L615 VanDerWaalsContact O-CG 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.17Å; L611-L615 PolarHBondContact O-N 3.32Å; L612-L615 PolarHBondContact O-N 2.82Å; L615-A617 VanDerWaalsContact C-N 3.32Å; L615-A617 PolarHBondContact O-N 2.92Å; L615-L618 WeakPolarHBondContact O-CB 3.5Å; L615-L618 PolarHBondContact O-N 3.02Å; L615-V619 WeakPolarHBondContact O-CG2 3.22Å; L615-V619 PolarHBondContact O-N 2.93Å; L615-L671 HydrophobicContact CB-CD1 4.16Å; L615-I709 HydrophobicContact CD1-CD1 4.08Å; L615-I709 HydrophobicContact CD1-CG2 3.61Å; L615-F713 HydrophobicContact CD2-CE2 4.45Å; L615-F713 HydrophobicContact CD2-CZ 4.36Å
616	L	88.4	Confident	85.5	Confident	13 Å²	13	28.9 Å²	28.9	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-40.6	174	-176.4	63.8	0	0	0	111.1	L612 I613 V619 N620 L671 L672	L612-L616 WeakPolarHBondContact O-CB 3.43Å; L612-L616 PolarHBondContact O-N 2.99Å; I613-L616 PolarHBondContact O-N 3.04Å; L616-V619 PolarHBondContact O-N 2.86Å; L616-N620 WeakPolarHBondContact O-CB 3.32Å; L616-N620 VanDerWaalsContact O-CG 3.24Å; L616-N620 PolarHBondContact O-N 2.97Å; L616-N620 PolarHBondContact O-ND2 2.91Å; L616-L671 HydrophobicContact CD1-CB 4.38Å; L616-L672 HydrophobicContact CD1-CD1 4.3Å; L616-L672 HydrophobicContact CD1-CG 4.05Å; L616-L672 HydrophobicContact CD2-CD2 3.84Å; L616-L672 HydrophobicContact CD2-CG 4.09Å
617	A	89.5	Confident	86.6	Confident	4 Å²	4	25.4 Å²	25.4	3%	0.033	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-38.7	174.5	0	0	0	0	0	112.4	N591 V594 V595 I613 G614 L615 G621	N591-A617 HydrophobicContact CB-CB 4.34Å; N591-A617 WeakPolarHBondContact CB-O 3.42Å; N591-A617 WeakPolarHBondContact OD1-CA 3.47Å; N591-A617 PolarHBondContact OD1-O 3.47Å; V594-A617 HydrophobicContact CB-CB 4.01Å; V594-A617 HydrophobicContact CG1-CB 3.75Å; V595-A617 HydrophobicContact CG2-CB 3.89Å; I613-A617 WeakPolarHBondContact O-CB 3.28Å; I613-A617 PolarHBondContact O-N 3.36Å; G614-A617 PolarHBondContact O-N 2.78Å; L615-A617 VanDerWaalsContact C-N 3.32Å; L615-A617 PolarHBondContact O-N 2.92Å; A617-G621 PolarHBondContact O-N 2.91Å
618	L	91.1	Very high	87.5	Confident	92 Å²	92	23.5 Å²	23.5	48%	0.482	13%	0.134	S	C	.	.	H	α-helix	trans	-61	-47.4	175.1	-173.9	74	0	0	0	111.7	G614 L615 G621 L622	G614-L618 PolarHBondContact O-N 3.47Å; L615-L618 WeakPolarHBondContact O-CB 3.5Å; L615-L618 PolarHBondContact O-N 3.02Å; L618-G621 PolarHBondContact O-N 2.86Å; L618-L622 PolarHBondContact O-N 3.06Å
619	V	92.3	Very high	88.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68	-41.5	-179.8	176.5	0	0	0	0	111.6	L615 L616 G621 L622 M623 A664 T667 L671 F713	L615-V619 WeakPolarHBondContact O-CG2 3.22Å; L615-V619 PolarHBondContact O-N 2.93Å; L616-V619 PolarHBondContact O-N 2.86Å; V619-G621 PolarHBondContact O-N 2.77Å; V619-L622 WeakPolarHBondContact O-CB 3.36Å; V619-L622 PolarHBondContact O-N 3.35Å; V619-M623 PolarHBondContact O-N 2.76Å; V619-A664 HydrophobicContact CG1-CB 4.4Å; V619-A664 WeakPolarHBondContact CG1-O 3.02Å; V619-T667 HydrophobicContact CG1-CG2 4.48Å; V619-T667 HydrophobicContact CG2-CG2 4.01Å; V619-L671 HydrophobicContact CB-CD1 4.49Å; V619-L671 HydrophobicContact CG2-CD1 3.84Å; V619-F713 HydrophobicContact CG2-CE1 3.98Å; V619-F713 HydrophobicContact CG2-CZ 3.94Å
620	N	90.7	Very high	89.1	Confident	15 Å²	15	25 Å²	25	8%	0.08	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-33.4	172	-74.3	-20.3	0	0	0	112.1	N591 L616 L622 M623 G624 A837	N591-N620 WeakPolarHBondContact OD1-CB 2.98Å; L616-N620 WeakPolarHBondContact O-CB 3.32Å; L616-N620 VanDerWaalsContact O-CG 3.24Å; L616-N620 PolarHBondContact O-N 2.97Å; L616-N620 PolarHBondContact O-ND2 2.91Å; N620-L622 VanDerWaalsContact C-N 3.31Å; N620-L622 PolarHBondContact O-N 2.84Å; N620-M623 WeakPolarHBondContact O-CB 3.35Å; N620-M623 PolarHBondContact O-N 3.31Å; N620-G624 PolarHBondContact O-N 2.7Å; N620-G624 VanDerWaalsContact O-N 3.16Å; N620-A837 HydrophobicContact CB-CB 3.87Å
621	G	92.6	Very high	89.7	Confident	14 Å²	14	23.5 Å²	23.5	14%	0.144	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-39.3	170.6	0	0	0	0	0	112.8	A617 L618 V619 M623 G624 V625	A617-G621 PolarHBondContact O-N 2.91Å; L618-G621 PolarHBondContact O-N 2.86Å; V619-G621 PolarHBondContact O-N 2.77Å; G621-M623 VanDerWaalsContact C-N 3.33Å; G621-M623 PolarHBondContact O-N 3.06Å; G621-G624 WeakPolarHBondContact O-CA 3.41Å; G621-G624 PolarHBondContact O-N 2.91Å; G621-G624 VanDerWaalsContact O-N 3.09Å; G621-V625 WeakPolarHBondContact O-CG2 3.15Å; G621-V625 PolarHBondContact O-N 3.19Å
622	L	92.8	Very high	90.1	Very high	55 Å²	55	23.9 Å²	23.9	29%	0.288	13%	0.134	S	C	.	.	H	α-helix	trans	-64	-36	175.2	-64	172.9	0	0	0	112.4	L618 V619 N620 G624 V625 W626 F663 A664	L618-L622 PolarHBondContact O-N 3.06Å; V619-L622 WeakPolarHBondContact O-CB 3.36Å; V619-L622 PolarHBondContact O-N 3.35Å; N620-L622 VanDerWaalsContact C-N 3.31Å; N620-L622 PolarHBondContact O-N 2.84Å; L622-G624 VanDerWaalsContact C-N 3.29Å; L622-G624 PolarHBondContact O-N 3.46Å; L622-V625 WeakPolarHBondContact O-CB 3.38Å; L622-V625 PolarHBondContact O-N 3.41Å; L622-W626 PolarHBondContact O-N 2.96Å; L622-F663 HydrophobicContact CD1-CD1 4.1Å; L622-F663 HydrophobicContact CD1-CE1 3.89Å; L622-A664 HydrophobicContact CB-CB 4.02Å
623	M	91.4	Very high	90.4	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-36.2	171.9	-174.5	60.7	76.7	0	0	111.8	V619 N620 G621 W626 S627 C661 A664 P834 A837	V619-M623 PolarHBondContact O-N 2.76Å; N620-M623 WeakPolarHBondContact O-CB 3.35Å; N620-M623 PolarHBondContact O-N 3.31Å; G621-M623 VanDerWaalsContact C-N 3.33Å; G621-M623 PolarHBondContact O-N 3.06Å; M623-W626 PolarHBondContact O-N 2.67Å; M623-W626 HydrophobicContact SD-CD2 4.33Å; M623-W626 HydrophobicContact SD-CE3 3.53Å; M623-W626 VanDerWaalsContact SD-CE3 3.53Å; M623-W626 HydrophobicContact SD-CZ3 3.94Å; M623-S627 PolarHBondContact O-N 2.96Å; M623-S627 PolarHBondContact O-OG 3.34Å; M623-C661 WeakPolarHBondContact CE-O 3.29Å; M623-A664 HydrophobicContact CB-CB 3.99Å; M623-A664 HydrophobicContact CE-CB 4.04Å; M623-P834 HydrophobicContact CG-CB 3.77Å; M623-P834 HydrophobicContact SD-CB 4.11Å; M623-A837 HydrophobicContact CB-CB 3.97Å; M623-A837 HydrophobicContact CG-CB 4.05Å
624	G	92.1	Very high	90.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-39.3	172.2	0	0	0	0	0	113.6	S587 N620 G621 L622 S627 S628	S587-G624 WeakPolarHBondContact OG-CA 3.32Å; N620-G624 PolarHBondContact O-N 2.7Å; N620-G624 VanDerWaalsContact O-N 3.16Å; G621-G624 WeakPolarHBondContact O-CA 3.41Å; G621-G624 PolarHBondContact O-N 2.91Å; G621-G624 VanDerWaalsContact O-N 3.09Å; L622-G624 VanDerWaalsContact C-N 3.29Å; L622-G624 PolarHBondContact O-N 3.46Å; G624-S627 PolarHBondContact O-N 3.29Å; G624-S628 WeakPolarHBondContact O-CB 3.27Å; G624-S628 PolarHBondContact O-N 3.36Å; G624-S628 PolarHBondContact O-OG 3.27Å
625	V	93.1	Very high	90.9	Very high	64 Å²	64	25.7 Å²	25.7	39%	0.388	15%	0.152	S	C	.	.	H	α-helix	trans	-62	-44.7	173.3	174.1	0	0	0	0	110.8	L588 G621 L622 S628 W629	L588-V625 HydrophobicContact CD2-CG2 3.91Å; G621-V625 WeakPolarHBondContact O-CG2 3.15Å; G621-V625 PolarHBondContact O-N 3.19Å; L622-V625 WeakPolarHBondContact O-CB 3.38Å; L622-V625 PolarHBondContact O-N 3.41Å; V625-S628 WeakPolarHBondContact O-CB 3.48Å; V625-S628 PolarHBondContact O-N 3.03Å; V625-W629 WeakPolarHBondContact O-CB 3.32Å; V625-W629 PolarHBondContact O-N 3.45Å
626	W	92.3	Very high	90.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-46	174.9	168.8	77.5	0	0	0	112.4	L622 M623 S628 W629 L630 S657 L660 C661 L735 L830 P834	L622-W626 PolarHBondContact O-N 2.96Å; M623-W626 PolarHBondContact O-N 2.67Å; M623-W626 HydrophobicContact SD-CD2 4.33Å; M623-W626 HydrophobicContact SD-CE3 3.53Å; M623-W626 VanDerWaalsContact SD-CE3 3.53Å; M623-W626 HydrophobicContact SD-CZ3 3.94Å; W626-S628 VanDerWaalsContact C-N 3.3Å; W626-S628 PolarHBondContact O-N 2.96Å; W626-W629 WeakPolarHBondContact O-CB 3.44Å; W626-W629 PolarHBondContact O-N 3Å; W626-W629 VanDerWaalsContact O-N 3.13Å; W626-L630 HydrophobicContact CD2-CD1 4.33Å; W626-L630 HydrophobicContact CH2-CD1 3.94Å; W626-L630 HydrophobicContact CZ2-CD1 3.3Å; W626-L630 HydrophobicContact CZ2-CG 4.45Å; W626-L630 PolarHBondContact O-N 2.97Å; W626-L630 VanDerWaalsContact O-N 3.09Å; W626-S657 VanDerWaalsContact CD1-OG 3.26Å; W626-S657 PolarHBondContact NE1-O 2.86Å; W626-S657 PolarHBondContact NE1-OG 2.87Å; W626-L660 HydrophobicContact CB-CB 4.38Å; W626-C661 HydrophobicContact CD2-CB 3.92Å; W626-C661 HydrophobicContact CG-CB 4.01Å; W626-C661 HydrophobicContact CZ2-CB 4.17Å; W626-L735 HydrophobicContact CZ2-CD1 4.24Å; W626-L735 HydrophobicContact CZ2-CD2 4.01Å; W626-L830 HydrophobicContact CH2-CD2 4.12Å; W626-L830 HydrophobicContact CZ2-CD2 4.44Å; W626-P834 HydrophobicContact CZ3-CB 4.3Å; W626-P834 HydrophobicContact CZ3-CG 4.3Å
627	S	91.7	Very high	90.7	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-40.3	177.2	-58.2	0	0	0	0	111.6	V580 M623 G624 W629 A631	V580-S627 WeakPolarHBondContact CG1-O 3.42Å; M623-S627 PolarHBondContact O-N 2.96Å; M623-S627 PolarHBondContact O-OG 3.34Å; G624-S627 PolarHBondContact O-N 3.29Å; S627-W629 VanDerWaalsContact C-N 3.33Å; S627-A631 WeakPolarHBondContact O-CB 3.34Å; S627-A631 PolarHBondContact O-N 2.93Å; S627-A631 VanDerWaalsContact O-N 3.11Å
628	S	91.6	Very high	90.4	Very high	31 Å²	31	36.9 Å²	36.9	22%	0.217	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-38.7	175.3	-54.9	0	0	0	0	111.9	A584 L588 G624 V625 W626 A631 A632	A584-S628 WeakPolarHBondContact CB-OG 3.46Å; L588-S628 WeakPolarHBondContact CD1-OG 3.21Å; G624-S628 WeakPolarHBondContact O-CB 3.27Å; G624-S628 PolarHBondContact O-N 3.36Å; G624-S628 PolarHBondContact O-OG 3.27Å; V625-S628 WeakPolarHBondContact O-CB 3.48Å; V625-S628 PolarHBondContact O-N 3.03Å; W626-S628 VanDerWaalsContact C-N 3.3Å; W626-S628 PolarHBondContact O-N 2.96Å; S628-A631 PolarHBondContact O-N 3.35Å; S628-A632 WeakPolarHBondContact O-CB 3.32Å; S628-A632 PolarHBondContact O-N 3.13Å
629	W	91.8	Very high	89.6	Confident	96 Å²	96	34.1 Å²	34.1	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-62.7	-49	179	-172.7	-103.5	0	0	0	111.7	V625 W626 S627 A631 A632 V633 W648 L653	V625-W629 WeakPolarHBondContact O-CB 3.32Å; V625-W629 PolarHBondContact O-N 3.45Å; W626-W629 WeakPolarHBondContact O-CB 3.44Å; W626-W629 PolarHBondContact O-N 3Å; W626-W629 VanDerWaalsContact O-N 3.13Å; S627-W629 VanDerWaalsContact C-N 3.33Å; W629-A631 PolarHBondContact O-N 3.41Å; W629-A632 PolarHBondContact O-N 2.96Å; W629-V633 WeakPolarHBondContact O-CG2 3.19Å; W629-V633 PolarHBondContact O-N 3.42Å; W629-W648 AromaticContact CD1-CH2 3.94Å; W629-W648 AromaticContact NE1-CH2 3.37Å; W629-W648 AromaticContact NE1-CZ3 3.93Å; W629-L653 HydrophobicContact CH2-CD1 4.25Å; W629-L653 HydrophobicContact CH2-CD2 3.93Å; W629-L653 HydrophobicContact CZ2-CB 3.91Å; W629-L653 HydrophobicContact CZ2-CD1 3.95Å; W629-L653 HydrophobicContact CZ2-CD2 3.75Å; W629-L653 HydrophobicContact CZ2-CG 4.06Å
630	L	89.6	Confident	88.8	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-40.3	176	-71.7	-178.9	0	0	0	112.6	W626 A632 V633 D634 W648 L830	W626-L630 HydrophobicContact CD2-CD1 4.33Å; W626-L630 HydrophobicContact CH2-CD1 3.94Å; W626-L630 HydrophobicContact CZ2-CD1 3.3Å; W626-L630 HydrophobicContact CZ2-CG 4.45Å; W626-L630 PolarHBondContact O-N 2.97Å; W626-L630 VanDerWaalsContact O-N 3.09Å; L630-A632 VanDerWaalsContact C-N 3.33Å; L630-A632 PolarHBondContact O-N 3.02Å; L630-V633 PolarHBondContact O-N 3.33Å; L630-D634 WeakPolarHBondContact O-CB 3.5Å; L630-D634 PolarHBondContact O-N 3.04Å; L630-W648 HydrophobicContact CD2-CZ2 4.44Å; L630-L830 HydrophobicContact CD1-CD2 3.85Å
631	A	90.6	Very high	88.2	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-39.5	176.9	0	0	0	0	0	112.3	V580 W581 S627 S628 W629 A635	V580-A631 HydrophobicContact CG1-CB 4.07Å; W581-A631 HydrophobicContact CD2-CB 4Å; W581-A631 HydrophobicContact CG-CB 4.37Å; W581-A631 HydrophobicContact CH2-CB 4.46Å; W581-A631 HydrophobicContact CZ2-CB 3.93Å; S627-A631 WeakPolarHBondContact O-CB 3.34Å; S627-A631 PolarHBondContact O-N 2.93Å; S627-A631 VanDerWaalsContact O-N 3.11Å; S628-A631 PolarHBondContact O-N 3.35Å; W629-A631 PolarHBondContact O-N 3.41Å; A631-A635 WeakPolarHBondContact O-CB 3.25Å; A631-A635 PolarHBondContact O-N 3.34Å
632	A	90.6	Very high	87.1	Confident	48 Å²	48	37.3 Å²	37.3	40%	0.397	20%	0.199	S	C	.	.	H	α-helix	trans	-66.6	-42.4	176.3	0	0	0	0	0	112.1	S628 W629 L630 A635 W636	S628-A632 WeakPolarHBondContact O-CB 3.32Å; S628-A632 PolarHBondContact O-N 3.13Å; W629-A632 PolarHBondContact O-N 2.96Å; L630-A632 VanDerWaalsContact C-N 3.33Å; L630-A632 PolarHBondContact O-N 3.02Å; A632-A635 PolarHBondContact O-N 3.17Å; A632-W636 WeakPolarHBondContact O-CB 3.39Å; A632-W636 PolarHBondContact O-N 3.35Å
633	V	89	Confident	86.1	Confident	10 Å²	10	42.2 Å²	42.2	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-42.8	177.8	175.3	0	0	0	0	111.1	L570 W629 L630 A635 W636 T637 W648	L570-V633 HydrophobicContact CD2-CB 4.26Å; L570-V633 HydrophobicContact CD2-CG1 3.83Å; W629-V633 WeakPolarHBondContact O-CG2 3.19Å; W629-V633 PolarHBondContact O-N 3.42Å; L630-V633 PolarHBondContact O-N 3.33Å; V633-A635 VanDerWaalsContact C-N 3.33Å; V633-A635 PolarHBondContact O-N 3.3Å; V633-W636 PolarHBondContact O-N 2.98Å; V633-T637 WeakPolarHBondContact O-CB 3.34Å; V633-T637 PolarHBondContact O-N 2.86Å; V633-T637 PolarHBondContact O-OG1 3.23Å; V633-W648 HydrophobicContact CB-CH2 4.38Å; V633-W648 HydrophobicContact CG1-CD2 4.06Å; V633-W648 HydrophobicContact CG1-CE3 4.08Å; V633-W648 HydrophobicContact CG1-CH2 4.24Å; V633-W648 HydrophobicContact CG1-CZ2 4.22Å; V633-W648 HydrophobicContact CG1-CZ3 4.17Å; V633-W648 HydrophobicContact CG2-CE3 4.27Å; V633-W648 HydrophobicContact CG2-CH2 3.54Å; V633-W648 HydrophobicContact CG2-CZ2 4.21Å; V633-W648 HydrophobicContact CG2-CZ3 3.57Å
634	D	89.3	Confident	85.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.8	-37.2	175.2	178.9	80.1	0	0	0	112.4	L570 L571 R577 L630 F638	L570-D634 HydrophobicContact CB-CB 4.1Å; L570-D634 WeakPolarHBondContact CB-OD1 3.34Å; L570-D634 HydrophobicContact CD2-CB 4.27Å; L570-D634 PolarHBondContact N-OD1 3.19Å; L571-D634 HydrophobicContact CD1-CB 3.8Å; L571-D634 HydrophobicContact CG-CB 3.84Å; L571-D634 PolarHBondContact N-OD1 3.17Å; R577-D634 IonicContact CZ-OD2 3.99Å; R577-D634 IonicContact NE-OD2 3.31Å; R577-D634 PolarHBondContact NE-OD2 3.35Å; R577-D634 IonicContact NH2-OD1 3.74Å; R577-D634 PolarHBondContact NH2-OD1 3.25Å; R577-D634 IonicContact NH2-OD2 3.72Å; R577-D634 PolarHBondContact NH2-OD2 3.18Å; L630-D634 WeakPolarHBondContact O-CB 3.5Å; L630-D634 PolarHBondContact O-N 3.04Å; D634-F638 WeakPolarHBondContact O-CA 3.41Å; D634-F638 PolarHBondContact O-N 3.18Å
635	A	88.5	Confident	84.6	Confident	55 Å²	55	46.2 Å²	46.2	46%	0.455	23%	0.229	S	C	.	.	H	α-helix	trans	-68	-40.3	174.4	0	0	0	0	0	112.3	A631 A632 V633 F638	A631-A635 WeakPolarHBondContact O-CB 3.25Å; A631-A635 PolarHBondContact O-N 3.34Å; A632-A635 PolarHBondContact O-N 3.17Å; V633-A635 VanDerWaalsContact C-N 3.33Å; V633-A635 PolarHBondContact O-N 3.3Å; A635-F638 WeakPolarHBondContact O-CB 3.22Å
636	W	88.6	Confident	83.6	Confident	187 Å²	187	43.9 Å²	43.9	71%	0.708	22%	0.215	S	C	*	.	H	α-helix	trans	-69.1	-36.4	179	-178.7	41.3	0	0	0	112.8	A632 V633	A632-W636 WeakPolarHBondContact O-CB 3.39Å; A632-W636 PolarHBondContact O-N 3.35Å; V633-W636 PolarHBondContact O-N 2.98Å
637	T	85	Confident	83	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	17.8	-176.3	59.3	0	0	0	0	113.4	V633 G639 S640 F641 Y644	V633-T637 WeakPolarHBondContact O-CB 3.34Å; V633-T637 PolarHBondContact O-N 2.86Å; V633-T637 PolarHBondContact O-OG1 3.23Å; T637-G639 PolarHBondContact O-N 2.88Å; T637-G639 VanDerWaalsContact O-N 3.15Å; T637-S640 CarbonylContact O-C 3.56Å; T637-S640 PolarHBondContact O-N 2.81Å; T637-S640 VanDerWaalsContact O-N 3.09Å; T637-F641 HydrophobicContact CG2-CD2 4.26Å; T637-F641 PolarHBondContact O-N 3.08Å; T637-F641 VanDerWaalsContact O-N 3.17Å; T637-F641 WeakPolarHBondContact OG1-CD2 3.12Å; T637-Y644 HydrophobicContact CG2-CD2 4.2Å; T637-Y644 HydrophobicContact CG2-CG 4.37Å
638	F	83.1	Confident	82.6	Confident	92 Å²	92	52 Å²	52	40%	0.404	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	118	-169.9	-170.3	-83.7	0	0	0	112.7	W574 D634 A635 S640	W574-F638 HydrophobicContact CH2-CE2 4.08Å; W574-F638 HydrophobicContact CH2-CZ 4.05Å; W574-F638 HydrophobicContact CZ2-CE2 4.31Å; W574-F638 AromaticContact CZ2-CZ 3.96Å; W574-F638 HydrophobicContact CZ2-CZ 3.96Å; D634-F638 WeakPolarHBondContact O-CA 3.41Å; D634-F638 PolarHBondContact O-N 3.18Å; A635-F638 WeakPolarHBondContact O-CB 3.22Å; F638-S640 PolarHBondContact O-N 3.19Å
639	G	74.9	Confident	82	Confident	33 Å²	33	51.9 Å²	51.9	34%	0.34	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-3.6	176.5	0	0	0	0	0	114.8	L568 T637	L568-G639 CarbonylContact O-C 3.28Å; L568-G639 VanDerWaalsContact O-C 3.28Å; L568-G639 VanDerWaalsContact O-CA 3.24Å; L568-G639 WeakPolarHBondContact O-CA 3.42Å; L568-G639 PolarHBondContact O-N 3.02Å; T637-G639 PolarHBondContact O-N 2.88Å; T637-G639 VanDerWaalsContact O-N 3.15Å
640	S	75.4	Confident	81.2	Confident	30 Å²	30	49.6 Å²	49.6	21%	0.21	24%	0.244	C	C	.	.			trans	-141.4	35.2	179.5	67.1	0	0	0	0	112.7	L568 T637 F638 W642 R643	L568-S640 PolarHBondContact O-N 3.2Å; T637-S640 CarbonylContact O-C 3.56Å; T637-S640 PolarHBondContact O-N 2.81Å; T637-S640 VanDerWaalsContact O-N 3.09Å; F638-S640 PolarHBondContact O-N 3.19Å; S640-W642 VanDerWaalsContact C-N 3.25Å; S640-W642 PolarHBondContact O-N 3.41Å; S640-R643 PolarHBondContact O-N 2.83Å
641	F	78.8	Confident	81	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-57.8	-38.1	-178.5	-177.5	-101.7	0	0	0	112.5	P566 L568 L570 T637 R643 Y644 G645 W648	P566-F641 HydrophobicContact CG-CD1 4.25Å; P566-F641 HydrophobicContact CG-CE1 4.38Å; P566-F641 WeakPolarHBondContact O-CD1 3.03Å; L568-F641 PolarHBondContact O-N 3.23Å; L570-F641 HydrophobicContact CB-CD2 3.99Å; L570-F641 HydrophobicContact CB-CE2 4.19Å; L570-F641 HydrophobicContact CB-CG 4.4Å; L570-F641 HydrophobicContact CD1-CD2 4.42Å; L570-F641 HydrophobicContact CD1-CE1 4.27Å; L570-F641 HydrophobicContact CD1-CE2 3.81Å; L570-F641 HydrophobicContact CD1-CZ 3.73Å; L570-F641 HydrophobicContact CD2-CE2 4.27Å; L570-F641 HydrophobicContact CG-CE2 4.31Å; T637-F641 HydrophobicContact CG2-CD2 4.26Å; T637-F641 PolarHBondContact O-N 3.08Å; T637-F641 VanDerWaalsContact O-N 3.17Å; T637-F641 WeakPolarHBondContact OG1-CD2 3.12Å; F641-R643 PolarHBondContact O-N 2.87Å; F641-Y644 CarbonylContact O-C 3.5Å; F641-Y644 PolarHBondContact O-N 3.26Å; F641-G645 PolarHBondContact O-N 3.47Å; F641-W648 HydrophobicContact CE2-CG 4.4Å; F641-W648 AromaticContact CZ-CD1 3.83Å
642	W	69.5	Low	80.7	Confident	63 Å²	63	56.8 Å²	56.8	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-51.3	-29.8	177.1	63.7	-92.4	0	0	0	114.8	L478 C567 S640 Y644	L478-W642 HydrophobicContact CD1-CE3 3.69Å; L478-W642 HydrophobicContact CD1-CZ3 3.69Å; L478-W642 HydrophobicContact CD2-CE3 4.38Å; L478-W642 HydrophobicContact CD2-CH2 4.07Å; L478-W642 HydrophobicContact CD2-CZ3 3.58Å; L478-W642 HydrophobicContact CG-CZ3 4.11Å; C567-W642 VanDerWaalsContact O-CB 3.26Å; C567-W642 WeakPolarHBondContact O-CB 3.25Å; C567-W642 PolarHBondContact O-N 3.35Å; S640-W642 VanDerWaalsContact C-N 3.25Å; S640-W642 PolarHBondContact O-N 3.41Å; W642-Y644 VanDerWaalsContact C-N 3.35Å
643	R	71.3	Confident	80.5	Confident	157 Å²	157	58.3 Å²	58.3	59%	0.592	28%	0.28	S	S	*	.	H	α-helix	trans	-72.7	-27.7	177.7	-71.2	-175.5	179.1	176.1	-2.8	113.6	S640 F641	S640-R643 PolarHBondContact O-N 2.83Å; F641-R643 PolarHBondContact O-N 2.87Å
644	Y	77.3	Confident	80.3	Confident	91 Å²	91	57.8 Å²	57.8	36%	0.357	28%	0.277	S	S	.	.	H	α-helix	trans	-114.2	-8.5	-172.7	-57.5	-77.6	0	0	0	112.4	T637 F641 W642 V646 K647 W648	T637-Y644 HydrophobicContact CG2-CD2 4.2Å; T637-Y644 HydrophobicContact CG2-CG 4.37Å; F641-Y644 CarbonylContact O-C 3.5Å; F641-Y644 PolarHBondContact O-N 3.26Å; W642-Y644 VanDerWaalsContact C-N 3.35Å; Y644-V646 PolarHBondContact O-N 3.41Å; Y644-K647 PolarHBondContact O-N 2.75Å; Y644-W648 VanDerWaalsContact O-CB 3.31Å; Y644-W648 WeakPolarHBondContact O-CB 3.24Å; Y644-W648 PolarHBondContact O-N 3.36Å
645	G	74.6	Confident	80.1	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-54.4	-47.7	-175.2	0	0	0	0	0	113.8	F641 W648 E649	F641-G645 PolarHBondContact O-N 3.47Å; G645-W648 WeakPolarHBondContact O-CB 3.45Å; G645-W648 PolarHBondContact O-N 3.12Å; G645-E649 WeakPolarHBondContact O-CB 3.36Å; G645-E649 WeakPolarHBondContact O-CG 3.25Å; G645-E649 PolarHBondContact O-N 3.18Å
646	V	72.6	Confident	79.9	Confident	16 Å²	16	61.9 Å²	61.9	10%	0.097	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-53.8	176.3	-174.8	0	0	0	0	111.6	M476 F496 Y644 W648 E649 S650	M476-V646 HydrophobicContact CB-CG1 4.18Å; M476-V646 HydrophobicContact CE-CG1 4.16Å; M476-V646 HydrophobicContact CG-CG1 3.79Å; M476-V646 HydrophobicContact SD-CG1 3.53Å; M476-V646 VanDerWaalsContact SD-CG1 3.53Å; F496-V646 HydrophobicContact CD1-CG2 3.85Å; F496-V646 HydrophobicContact CD2-CG2 4.14Å; F496-V646 HydrophobicContact CE1-CB 4.19Å; F496-V646 HydrophobicContact CE1-CG2 2.99Å; F496-V646 HydrophobicContact CE2-CG2 3.37Å; F496-V646 HydrophobicContact CG-CG2 4.38Å; F496-V646 HydrophobicContact CZ-CB 4.24Å; F496-V646 HydrophobicContact CZ-CG2 2.8Å; Y644-V646 PolarHBondContact O-N 3.41Å; V646-W648 PolarHBondContact O-N 2.98Å; V646-E649 PolarHBondContact O-N 2.62Å; V646-S650 WeakPolarHBondContact O-CB 3.07Å; V646-S650 PolarHBondContact O-N 3.05Å; V646-S650 PolarHBondContact O-OG 3.01Å
647	K	79.3	Confident	79.8	Confident	153 Å²	153	53 Å²	53	67%	0.665	25%	0.251	S	S	*	.	H	α-helix	trans	-63.2	-35.3	-174.4	-68.1	-177.4	-179.9	178	0	109.6	Y644 S650 S651	Y644-K647 PolarHBondContact O-N 2.75Å; K647-S650 PolarHBondContact O-OG 3.12Å; K647-S651 WeakPolarHBondContact O-CB 3.49Å; K647-S651 PolarHBondContact O-N 3.39Å
648	W	83.3	Confident	79.8	Confident	20 Å²	20	53 Å²	53	8%	0.076	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-58.6	172.6	173.2	-107.5	0	0	0	111.9	W629 L630 V633 F641 Y644 G645 V646 S650 S651 L653 C654 S732	W629-W648 AromaticContact CD1-CH2 3.94Å; W629-W648 AromaticContact NE1-CH2 3.37Å; W629-W648 AromaticContact NE1-CZ3 3.93Å; L630-W648 HydrophobicContact CD2-CZ2 4.44Å; V633-W648 HydrophobicContact CB-CH2 4.38Å; V633-W648 HydrophobicContact CG1-CD2 4.06Å; V633-W648 HydrophobicContact CG1-CE3 4.08Å; V633-W648 HydrophobicContact CG1-CH2 4.24Å; V633-W648 HydrophobicContact CG1-CZ2 4.22Å; V633-W648 HydrophobicContact CG1-CZ3 4.17Å; V633-W648 HydrophobicContact CG2-CE3 4.27Å; V633-W648 HydrophobicContact CG2-CH2 3.54Å; V633-W648 HydrophobicContact CG2-CZ2 4.21Å; V633-W648 HydrophobicContact CG2-CZ3 3.57Å; F641-W648 HydrophobicContact CE2-CG 4.4Å; F641-W648 AromaticContact CZ-CD1 3.83Å; Y644-W648 VanDerWaalsContact O-CB 3.31Å; Y644-W648 WeakPolarHBondContact O-CB 3.24Å; Y644-W648 PolarHBondContact O-N 3.36Å; G645-W648 WeakPolarHBondContact O-CB 3.45Å; G645-W648 PolarHBondContact O-N 3.12Å; V646-W648 PolarHBondContact O-N 2.98Å; W648-S650 VanDerWaalsContact C-N 3.27Å; W648-S650 PolarHBondContact O-N 2.83Å; W648-S651 WeakPolarHBondContact O-CB 3.49Å; W648-S651 PolarHBondContact O-N 3.24Å; W648-S651 PolarHBondContact O-OG 3Å; W648-L653 HydrophobicContact CZ3-CB 4.23Å; W648-C654 HydrophobicContact CD2-CB 4.26Å; W648-C654 HydrophobicContact CZ2-CB 4.26Å; W648-C654 WeakPolarHBondContact O-CB 3.49Å; W648-S732 PolarHBondContact NE1-O 2.81Å
649	E	78.8	Confident	80	Confident	28 Å²	28	50 Å²	50	13%	0.131	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-32.8	-175.7	-74	-178.9	177.8	0	0	113.4	G645 V646 S732	G645-E649 WeakPolarHBondContact O-CB 3.36Å; G645-E649 WeakPolarHBondContact O-CG 3.25Å; G645-E649 PolarHBondContact O-N 3.18Å; V646-E649 PolarHBondContact O-N 2.62Å; E649-S732 WeakPolarHBondContact OE1-CA 3.18Å; E649-S732 WeakPolarHBondContact OE1-CB 3.42Å; E649-S732 PolarHBondContact OE1-N 3.02Å; E649-S732 PolarHBondContact OE1-OG 3.35Å
650	S	76.1	Confident	80.6	Confident	49 Å²	49	50 Å²	50	34%	0.343	23%	0.23	S	C	.	.	H	α-helix	trans	-83.7	-13.3	175.4	58.7	0	0	0	0	114.1	V646 K647 W648	V646-S650 WeakPolarHBondContact O-CB 3.07Å; V646-S650 PolarHBondContact O-N 3.05Å; V646-S650 PolarHBondContact O-OG 3.01Å; K647-S650 PolarHBondContact O-OG 3.12Å; W648-S650 VanDerWaalsContact C-N 3.27Å; W648-S650 PolarHBondContact O-N 2.83Å
651	S	84.1	Confident	81.2	Confident	26 Å²	26	48.9 Å²	48.9	18%	0.182	22%	0.222	C	C	.	.	S	Bend	trans	-70.2	152.5	-174.7	68.8	0	0	0	0	113.4	K647 W648 L653 C654 R655	K647-S651 WeakPolarHBondContact O-CB 3.49Å; K647-S651 PolarHBondContact O-N 3.39Å; W648-S651 WeakPolarHBondContact O-CB 3.49Å; W648-S651 PolarHBondContact O-N 3.24Å; W648-S651 PolarHBondContact O-OG 3Å; S651-L653 PolarHBondContact O-N 3.37Å; S651-L653 PolarHBondContact OG-N 2.8Å; S651-C654 PolarHBondContact O-N 3.34Å; S651-C654 WeakPolarHBondContact OG-CB 3.39Å; S651-C654 PolarHBondContact OG-N 3.15Å; S651-R655 PolarHBondContact O-N 3.19Å
652	F	84.1	Confident	81.5	Confident	125 Å²	125	49.2 Å²	49.2	55%	0.548	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-33.9	166	178	-102.3	0	0	0	112.2	C654 R655 L656	F652-C654 PolarHBondContact O-N 3.37Å; F652-R655 PolarHBondContact O-N 3.33Å; F652-L656 HydrophobicContact CE1-CB 4.5Å; F652-L656 HydrophobicContact CE1-CD2 4.33Å; F652-L656 WeakPolarHBondContact O-CB 3.47Å; F652-L656 PolarHBondContact O-N 2.75Å
653	L	86.3	Confident	82.5	Confident	80 Å²	80	47.5 Å²	47.5	42%	0.419	22%	0.219	S	C	.	.	H	α-helix	trans	-65.2	-37.7	-179.6	-69.8	177.5	0	0	0	113.1	W629 W648 S651 S657	W629-L653 HydrophobicContact CH2-CD1 4.25Å; W629-L653 HydrophobicContact CH2-CD2 3.93Å; W629-L653 HydrophobicContact CZ2-CB 3.91Å; W629-L653 HydrophobicContact CZ2-CD1 3.95Å; W629-L653 HydrophobicContact CZ2-CD2 3.75Å; W629-L653 HydrophobicContact CZ2-CG 4.06Å; W648-L653 HydrophobicContact CZ3-CB 4.23Å; S651-L653 PolarHBondContact O-N 3.37Å; S651-L653 PolarHBondContact OG-N 2.8Å; L653-S657 PolarHBondContact O-N 3.03Å
654	C	85.6	Confident	83.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-48.5	172.3	173	0	0	0	0	111	W648 S651 F652 L656 S657 G658 C734	W648-C654 HydrophobicContact CD2-CB 4.26Å; W648-C654 HydrophobicContact CZ2-CB 4.26Å; W648-C654 WeakPolarHBondContact O-CB 3.49Å; S651-C654 PolarHBondContact O-N 3.34Å; S651-C654 WeakPolarHBondContact OG-CB 3.39Å; S651-C654 PolarHBondContact OG-N 3.15Å; F652-C654 PolarHBondContact O-N 3.37Å; C654-L656 VanDerWaalsContact C-N 3.31Å; C654-L656 PolarHBondContact O-N 3Å; C654-S657 WeakPolarHBondContact O-CA 3.1Å; C654-S657 VanDerWaalsContact O-CB 3.23Å; C654-S657 WeakPolarHBondContact O-CB 3.42Å; C654-S657 PolarHBondContact O-N 3.38Å; C654-G658 PolarHBondContact O-N 2.78Å; C654-G658 VanDerWaalsContact O-N 3.09Å; C654-C734 WeakPolarHBondContact CA-SG 3.43Å; C654-C734 HydrophobicContact CB-CB 4.05Å; C654-C734 WeakPolarHBondContact CB-SG 3.23Å; C654-C734 WeakPolarHBondContact O-CB 3.44Å; C654-C734 WeakPolarHBondContact SG-CB 3.31Å; C654-C734 CovalentContact SG-SG 2Å; C654-C734 PolarHBondContact SG-SG 2.87Å
655	R	84.6	Confident	83.9	Confident	81 Å²	81	37.8 Å²	37.8	31%	0.306	19%	0.188	S	C	.	.	H	α-helix	trans	-58.7	-40.9	176	-71.7	-177.1	-81.9	168.2	-10	112.9	S651 F652 S657 G658 F659 L724	S651-R655 PolarHBondContact O-N 3.19Å; F652-R655 PolarHBondContact O-N 3.33Å; R655-S657 VanDerWaalsContact C-N 3.34Å; R655-S657 PolarHBondContact O-N 3.04Å; R655-G658 PolarHBondContact O-N 2.84Å; R655-F659 PolarHBondContact O-N 3.22Å; R655-L724 HydrophobicContact CB-CD1 4.43Å
656	L	86	Confident	84.6	Confident	61 Å²	61	37.9 Å²	37.9	32%	0.319	19%	0.188	S	C	.	.	H	α-helix	trans	-64.7	-37.1	175	-175.8	63.9	0	0	0	112.2	F652 C654 F659 L660	F652-L656 HydrophobicContact CE1-CB 4.5Å; F652-L656 HydrophobicContact CE1-CD2 4.33Å; F652-L656 WeakPolarHBondContact O-CB 3.47Å; F652-L656 PolarHBondContact O-N 2.75Å; C654-L656 VanDerWaalsContact C-N 3.31Å; C654-L656 PolarHBondContact O-N 3Å; L656-F659 HydrophobicContact CD1-CD1 4.24Å; L656-F659 WeakPolarHBondContact O-CB 2.98Å; L656-F659 PolarHBondContact O-N 3.44Å; L656-L660 HydrophobicContact CG-CD1 4.22Å; L656-L660 HydrophobicContact CG-CG 4.49Å; L656-L660 WeakPolarHBondContact O-CB 3.43Å; L656-L660 WeakPolarHBondContact O-CG 3.24Å; L656-L660 PolarHBondContact O-N 3.33Å
657	S	86.2	Confident	85.4	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-47.4	174.1	-176.7	0	0	0	0	111.5	W626 L653 C654 R655 F659 L660 C661	W626-S657 VanDerWaalsContact CD1-OG 3.26Å; W626-S657 PolarHBondContact NE1-O 2.86Å; W626-S657 PolarHBondContact NE1-OG 2.87Å; L653-S657 PolarHBondContact O-N 3.03Å; C654-S657 WeakPolarHBondContact O-CA 3.1Å; C654-S657 VanDerWaalsContact O-CB 3.23Å; C654-S657 WeakPolarHBondContact O-CB 3.42Å; C654-S657 PolarHBondContact O-N 3.38Å; R655-S657 VanDerWaalsContact C-N 3.34Å; R655-S657 PolarHBondContact O-N 3.04Å; S657-F659 PolarHBondContact O-N 3.12Å; S657-L660 PolarHBondContact O-N 2.81Å; S657-C661 PolarHBondContact O-N 3.4Å; S657-C661 VanDerWaalsContact O-N 3.11Å
658	G	84.5	Confident	85.9	Confident	1 Å²	1	30 Å²	30	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-45.1	174.6	0	0	0	0	0	112.9	C654 R655 C661 V662 C734	C654-G658 PolarHBondContact O-N 2.78Å; C654-G658 VanDerWaalsContact O-N 3.09Å; R655-G658 PolarHBondContact O-N 2.84Å; G658-C661 PolarHBondContact O-N 3.47Å; G658-V662 WeakPolarHBondContact O-CG2 3.47Å; G658-V662 PolarHBondContact O-N 2.72Å; G658-C734 WeakPolarHBondContact CA-O 3.45Å
659	F	86.5	Confident	86.1	Confident	29 Å²	29	29.8 Å²	29.8	13%	0.127	16%	0.155	C	C	.	.	H	α-helix	trans	-57.2	-50.2	174.8	172.5	-89.4	0	0	0	111.9	R655 L656 S657 C661 V662 F663 F717 T720 L724	R655-F659 PolarHBondContact O-N 3.22Å; L656-F659 HydrophobicContact CD1-CD1 4.24Å; L656-F659 WeakPolarHBondContact O-CB 2.98Å; L656-F659 PolarHBondContact O-N 3.44Å; S657-F659 PolarHBondContact O-N 3.12Å; F659-C661 VanDerWaalsContact C-N 3.35Å; F659-C661 PolarHBondContact O-N 2.92Å; F659-V662 PolarHBondContact O-N 2.94Å; F659-F663 HydrophobicContact CE1-CB 4.23Å; F659-F663 HydrophobicContact CE1-CG 4.34Å; F659-F663 HydrophobicContact CZ-CB 4.34Å; F659-F663 HydrophobicContact CZ-CD2 4.26Å; F659-F663 HydrophobicContact CZ-CG 4.3Å; F659-F663 WeakPolarHBondContact O-CB 3.49Å; F659-F663 PolarHBondContact O-N 2.92Å; F659-F717 HydrophobicContact CE2-CD2 4.25Å; F659-F717 HydrophobicContact CE2-CE2 4.31Å; F659-F717 HydrophobicContact CZ-CD2 4.06Å; F659-F717 HydrophobicContact CZ-CE2 4.21Å; F659-T720 WeakPolarHBondContact CE2-OG1 3.48Å; F659-L724 HydrophobicContact CB-CD1 4.48Å
660	L	88.1	Confident	86.6	Confident	34 Å²	34	28.8 Å²	28.8	18%	0.178	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-42.3	-178.2	-76.3	168.7	0	0	0	112.2	W626 L656 S657 A664	W626-L660 HydrophobicContact CB-CB 4.38Å; L656-L660 HydrophobicContact CG-CD1 4.22Å; L656-L660 HydrophobicContact CG-CG 4.49Å; L656-L660 WeakPolarHBondContact O-CB 3.43Å; L656-L660 WeakPolarHBondContact O-CG 3.24Å; L656-L660 PolarHBondContact O-N 3.33Å; S657-L660 PolarHBondContact O-N 2.81Å; L660-A664 WeakPolarHBondContact O-CB 3.37Å; L660-A664 PolarHBondContact O-N 2.03Å
661	C	87.4	Confident	87.2	Confident	7 Å²	7	26.5 Å²	26.5	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-51.1	178.6	-176.4	0	0	0	0	112.1	M623 W626 S657 G658 F659 S665 L735	M623-C661 WeakPolarHBondContact CE-O 3.29Å; W626-C661 HydrophobicContact CD2-CB 3.92Å; W626-C661 HydrophobicContact CG-CB 4.01Å; W626-C661 HydrophobicContact CZ2-CB 4.17Å; S657-C661 PolarHBondContact O-N 3.4Å; S657-C661 VanDerWaalsContact O-N 3.11Å; G658-C661 PolarHBondContact O-N 3.47Å; F659-C661 VanDerWaalsContact C-N 3.35Å; F659-C661 PolarHBondContact O-N 2.92Å; C661-S665 WeakPolarHBondContact O-CB 3.13Å; C661-S665 PolarHBondContact O-N 3.37Å; C661-S665 VanDerWaalsContact O-N 3.09Å; C661-S665 PolarHBondContact O-OG 2.87Å; C661-L735 HydrophobicContact CB-CD2 3.86Å; C661-L735 VanDerWaalsContact SG-CD2 3.56Å
662	V	86.6	Confident	87.3	Confident	10 Å²	10	25.9 Å²	25.9	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-69.6	-40.8	-178.2	-178.4	0	0	0	0	110.2	G658 F659 A664 S665 Q666 T720 P736 L753	G658-V662 WeakPolarHBondContact O-CG2 3.47Å; G658-V662 PolarHBondContact O-N 2.72Å; F659-V662 PolarHBondContact O-N 2.94Å; V662-A664 PolarHBondContact O-N 3.08Å; V662-S665 WeakPolarHBondContact CA-OG 3.41Å; V662-S665 PolarHBondContact O-N 3.21Å; V662-S665 PolarHBondContact O-OG 2.88Å; V662-Q666 HydrophobicContact CG1-CG 3.86Å; V662-Q666 WeakPolarHBondContact O-CB 3.47Å; V662-Q666 WeakPolarHBondContact O-CG 3.49Å; V662-Q666 PolarHBondContact O-N 3.05Å; V662-T720 HydrophobicContact CB-CG2 3.82Å; V662-T720 HydrophobicContact CG1-CG2 3.57Å; V662-P736 HydrophobicContact CG2-CG 3.79Å; V662-L753 HydrophobicContact CG1-CD1 4.04Å
663	F	90	Very high	87.4	Confident	27 Å²	27	20.7 Å²	20.7	12%	0.118	11%	0.107	C	C	.	.	H	α-helix	trans	-62.8	-45.8	178.2	179.8	-99.6	0	0	0	112.3	L622 F659 T667 F713 F717 T720	L622-F663 HydrophobicContact CD1-CD1 4.1Å; L622-F663 HydrophobicContact CD1-CE1 3.89Å; F659-F663 HydrophobicContact CE1-CB 4.23Å; F659-F663 HydrophobicContact CE1-CG 4.34Å; F659-F663 HydrophobicContact CZ-CB 4.34Å; F659-F663 HydrophobicContact CZ-CD2 4.26Å; F659-F663 HydrophobicContact CZ-CG 4.3Å; F659-F663 WeakPolarHBondContact O-CB 3.49Å; F659-F663 PolarHBondContact O-N 2.92Å; F663-T667 WeakPolarHBondContact O-CB 3.42Å; F663-T667 PolarHBondContact O-N 2.85Å; F663-T667 PolarHBondContact O-OG1 2.79Å; F663-F713 HydrophobicContact CZ-CD1 4Å; F663-F713 HydrophobicContact CZ-CE1 4.45Å; F663-F717 HydrophobicContact CE2-CB 4.42Å; F663-T720 VanDerWaalsContact CA-CG2 3.49Å; F663-T720 HydrophobicContact CB-CG2 3.78Å; F663-T720 HydrophobicContact CD2-CG2 4.49Å; F663-T720 VanDerWaalsContact N-CG2 3.3Å
664	A	90.5	Very high	87.5	Confident	2 Å²	2	17.8 Å²	17.8	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-44	180	0	0	0	0	0	111.8	V619 L622 M623 L660 V662 G668	V619-A664 HydrophobicContact CG1-CB 4.4Å; V619-A664 WeakPolarHBondContact CG1-O 3.02Å; L622-A664 HydrophobicContact CB-CB 4.02Å; M623-A664 HydrophobicContact CB-CB 3.99Å; M623-A664 HydrophobicContact CE-CB 4.04Å; L660-A664 WeakPolarHBondContact O-CB 3.37Å; L660-A664 PolarHBondContact O-N 2.03Å; V662-A664 PolarHBondContact O-N 3.08Å; A664-G668 PolarHBondContact O-N 3.31Å; A664-G668 VanDerWaalsContact O-N 3.14Å
665	S	87.6	Confident	87.3	Confident	42 Å²	42	18.5 Å²	18.5	29%	0.294	10%	0.098	S	C	.	.	H	α-helix	trans	-65.5	-50.6	178	50.7	0	0	0	0	112.5	C661 V662 G668 L669	C661-S665 WeakPolarHBondContact O-CB 3.13Å; C661-S665 PolarHBondContact O-N 3.37Å; C661-S665 VanDerWaalsContact O-N 3.09Å; C661-S665 PolarHBondContact O-OG 2.87Å; V662-S665 WeakPolarHBondContact CA-OG 3.41Å; V662-S665 PolarHBondContact O-N 3.21Å; V662-S665 PolarHBondContact O-OG 2.88Å; S665-G668 PolarHBondContact O-N 3.25Å; S665-L669 PolarHBondContact O-N 2.79Å; S665-L669 VanDerWaalsContact O-N 3.09Å
666	Q	88.1	Confident	87.1	Confident	3 Å²	3	14.7 Å²	14.7	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-67.1	-46.9	-176.1	-67.1	-64.2	-51.1	0	0	112.3	V662 G668 L669 F670 I719 L753 D757	V662-Q666 HydrophobicContact CG1-CG 3.86Å; V662-Q666 WeakPolarHBondContact O-CB 3.47Å; V662-Q666 WeakPolarHBondContact O-CG 3.49Å; V662-Q666 PolarHBondContact O-N 3.05Å; Q666-G668 VanDerWaalsContact C-N 3.29Å; Q666-G668 PolarHBondContact O-N 2.64Å; Q666-L669 PolarHBondContact O-N 2.86Å; Q666-F670 HydrophobicContact CB-CE2 4.19Å; Q666-F670 HydrophobicContact CB-CZ 4.21Å; Q666-F670 WeakPolarHBondContact O-CD2 3.05Å; Q666-F670 VanDerWaalsContact O-CG 3.28Å; Q666-F670 WeakPolarHBondContact O-CG 3.25Å; Q666-F670 PolarHBondContact O-N 3.1Å; Q666-I719 HydrophobicContact CG-CG2 4.38Å; Q666-L753 HydrophobicContact CG-CD1 4.2Å; Q666-D757 PolarHBondContact NE2-OD1 2.92Å; Q666-D757 PolarHBondContact NE2-OD2 2.91Å; Q666-D757 VanDerWaalsContact NE2-OD2 3.1Å; Q666-D757 PolarHBondContact OE1-OD1 3.48Å; Q666-D757 VanDerWaalsContact OE1-OD1 3.14Å
667	T	90.8	Very high	87	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-35.9	179.1	-49.9	0	0	0	0	111.2	V619 F663 F670 L671 F713	V619-T667 HydrophobicContact CG1-CG2 4.48Å; V619-T667 HydrophobicContact CG2-CG2 4.01Å; F663-T667 WeakPolarHBondContact O-CB 3.42Å; F663-T667 PolarHBondContact O-N 2.85Å; F663-T667 PolarHBondContact O-OG1 2.79Å; T667-F670 PolarHBondContact O-N 2.94Å; T667-L671 HydrophobicContact CG2-CD1 4.35Å; T667-L671 VanDerWaalsContact O-CG 3.31Å; T667-L671 WeakPolarHBondContact O-CG 3.4Å; T667-L671 PolarHBondContact O-N 2.79Å; T667-F713 HydrophobicContact CG2-CD1 3.8Å; T667-F713 HydrophobicContact CG2-CD2 4.45Å; T667-F713 HydrophobicContact CG2-CE1 3.81Å; T667-F713 HydrophobicContact CG2-CE2 4.46Å; T667-F713 HydrophobicContact CG2-CG 4.13Å; T667-F713 HydrophobicContact CG2-CZ 4.15Å
668	G	89.4	Confident	86.8	Confident	4 Å²	4	16.2 Å²	16.2	4%	0.041	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-45.3	175.3	0	0	0	0	0	111.8	A664 S665 Q666 F670 L671 L672	A664-G668 PolarHBondContact O-N 3.31Å; A664-G668 VanDerWaalsContact O-N 3.14Å; S665-G668 PolarHBondContact O-N 3.25Å; Q666-G668 VanDerWaalsContact C-N 3.29Å; Q666-G668 PolarHBondContact O-N 2.64Å; G668-F670 PolarHBondContact O-N 2.97Å; G668-L671 PolarHBondContact O-N 2.85Å; G668-L672 WeakPolarHBondContact O-CD1 3.36Å; G668-L672 WeakPolarHBondContact O-CG 3.37Å; G668-L672 PolarHBondContact O-N 3.39Å
669	L	87.9	Confident	86.4	Confident	16 Å²	16	17.3 Å²	17.3	8%	0.084	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-43.1	176.6	-170.6	64	0	0	0	112	S665 Q666 L672 T673 D757 C760 F761 M764	S665-L669 PolarHBondContact O-N 2.79Å; S665-L669 VanDerWaalsContact O-N 3.09Å; Q666-L669 PolarHBondContact O-N 2.86Å; L669-L672 WeakPolarHBondContact O-CB 3.37Å; L669-L672 PolarHBondContact O-N 2.75Å; L669-T673 VanDerWaalsContact O-CG2 3.3Å; L669-T673 WeakPolarHBondContact O-CG2 3.04Å; L669-T673 PolarHBondContact O-N 2.82Å; L669-D757 HydrophobicContact CD2-CB 3.85Å; L669-D757 VanDerWaalsContact CD2-OD1 3.27Å; L669-D757 WeakPolarHBondContact CD2-OD1 3.11Å; L669-C760 HydrophobicContact CD1-CB 4.47Å; L669-C760 HydrophobicContact CD2-CB 3.81Å; L669-C760 HydrophobicContact CG-CB 3.93Å; L669-F761 HydrophobicContact CD1-CD2 4.25Å; L669-F761 HydrophobicContact CD1-CE1 3.99Å; L669-F761 HydrophobicContact CD1-CE2 3.67Å; L669-F761 HydrophobicContact CD1-CZ 3.52Å; L669-F761 HydrophobicContact CD2-CE2 4.21Å; L669-M764 HydrophobicContact CD1-CE 3.62Å
670	F	89.2	Confident	85.8	Confident	7 Å²	7	16.6 Å²	16.6	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-65	-41.6	177.6	-56.1	-24.9	0	0	0	112.3	Q666 T667 G668 L672 T673 V674 C712 L715 I719 F756	Q666-F670 HydrophobicContact CB-CE2 4.19Å; Q666-F670 HydrophobicContact CB-CZ 4.21Å; Q666-F670 WeakPolarHBondContact O-CD2 3.05Å; Q666-F670 VanDerWaalsContact O-CG 3.28Å; Q666-F670 WeakPolarHBondContact O-CG 3.25Å; Q666-F670 PolarHBondContact O-N 3.1Å; T667-F670 PolarHBondContact O-N 2.94Å; G668-F670 PolarHBondContact O-N 2.97Å; F670-L672 VanDerWaalsContact C-N 3.31Å; F670-L672 PolarHBondContact O-N 2.77Å; F670-T673 PolarHBondContact O-N 3.31Å; F670-T673 VanDerWaalsContact O-N 3.16Å; F670-T673 PolarHBondContact O-OG1 3.35Å; F670-V674 PolarHBondContact O-N 3.03Å; F670-C712 HydrophobicContact CB-CB 3.77Å; F670-L715 HydrophobicContact CD2-CB 4.34Å; F670-L715 HydrophobicContact CD2-CD2 4.05Å; F670-L715 HydrophobicContact CE1-CD2 4.31Å; F670-L715 HydrophobicContact CE2-CB 4.12Å; F670-L715 HydrophobicContact CE2-CD2 3.61Å; F670-L715 HydrophobicContact CE2-CG 4.03Å; F670-L715 HydrophobicContact CZ-CD2 3.77Å; F670-L715 HydrophobicContact CZ-CG 4.48Å; F670-I719 HydrophobicContact CE2-CD1 3.97Å; F670-I719 HydrophobicContact CZ-CD1 3.67Å; F670-F756 HydrophobicContact CD1-CE1 4.23Å; F670-F756 AromaticContact CE1-CD1 3.65Å; F670-F756 HydrophobicContact CE1-CD1 3.65Å; F670-F756 AromaticContact CE1-CE1 3.28Å; F670-F756 HydrophobicContact CE1-CE1 3.28Å; F670-F756 AromaticContact CZ-CD1 3.83Å; F670-F756 HydrophobicContact CZ-CD1 3.83Å; F670-F756 AromaticContact CZ-CE1 3.5Å; F670-F756 HydrophobicContact CZ-CE1 3.5Å; F670-F756 VanDerWaalsContact CZ-CE1 3.5Å
671	L	88.4	Confident	85.3	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-62.3	-38.4	175.5	-69.4	172.4	0	0	0	112	L612 L615 L616 V619 T667 G668 V674 A675 I709 C712 F713	L612-L671 HydrophobicContact CD1-CB 4.42Å; L612-L671 HydrophobicContact CD1-CD2 3.79Å; L615-L671 HydrophobicContact CB-CD1 4.16Å; L616-L671 HydrophobicContact CD1-CB 4.38Å; V619-L671 HydrophobicContact CB-CD1 4.49Å; V619-L671 HydrophobicContact CG2-CD1 3.84Å; T667-L671 HydrophobicContact CG2-CD1 4.35Å; T667-L671 VanDerWaalsContact O-CG 3.31Å; T667-L671 WeakPolarHBondContact O-CG 3.4Å; T667-L671 PolarHBondContact O-N 2.79Å; G668-L671 PolarHBondContact O-N 2.85Å; L671-V674 PolarHBondContact O-N 2.73Å; L671-A675 WeakPolarHBondContact O-CB 3.29Å; L671-A675 PolarHBondContact O-N 2.86Å; L671-I709 HydrophobicContact CD2-CG2 4.44Å; L671-C712 HydrophobicContact CD2-CB 4.4Å; L671-F713 HydrophobicContact CD1-CE2 4.31Å; L671-F713 HydrophobicContact CD1-CZ 4.25Å; L671-F713 HydrophobicContact CD2-CE2 4.16Å
672	L	85.6	Confident	84.6	Confident	12 Å²	12	22 Å²	22	6%	0.063	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-41.2	173	-77.7	157.2	0	0	0	112.2	L616 G668 L669 F670 A675 A676 M764 L796 D799	L616-L672 HydrophobicContact CD1-CD1 4.3Å; L616-L672 HydrophobicContact CD1-CG 4.05Å; L616-L672 HydrophobicContact CD2-CD2 3.84Å; L616-L672 HydrophobicContact CD2-CG 4.09Å; G668-L672 WeakPolarHBondContact O-CD1 3.36Å; G668-L672 WeakPolarHBondContact O-CG 3.37Å; G668-L672 PolarHBondContact O-N 3.39Å; L669-L672 WeakPolarHBondContact O-CB 3.37Å; L669-L672 PolarHBondContact O-N 2.75Å; F670-L672 VanDerWaalsContact C-N 3.31Å; F670-L672 PolarHBondContact O-N 2.77Å; L672-A675 WeakPolarHBondContact O-CB 3.26Å; L672-A675 PolarHBondContact O-N 3.21Å; L672-A676 PolarHBondContact O-N 2.79Å; L672-M764 HydrophobicContact CB-SD 3.86Å; L672-L796 HydrophobicContact CB-CD2 4.5Å; L672-L796 HydrophobicContact CD2-CD2 4.4Å; L672-D799 WeakPolarHBondContact CD1-OD2 3.45Å
673	T	87.2	Confident	83.6	Confident	16 Å²	16	23.3 Å²	23.3	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-63.8	-42.5	176.2	67.2	0	0	0	0	112.2	L669 F670 A675 A676 L677 C760 M764	L669-T673 VanDerWaalsContact O-CG2 3.3Å; L669-T673 WeakPolarHBondContact O-CG2 3.04Å; L669-T673 PolarHBondContact O-N 2.82Å; F670-T673 PolarHBondContact O-N 3.31Å; F670-T673 VanDerWaalsContact O-N 3.16Å; F670-T673 PolarHBondContact O-OG1 3.35Å; T673-A675 VanDerWaalsContact C-N 3.3Å; T673-A675 PolarHBondContact O-N 2.9Å; T673-A676 WeakPolarHBondContact O-CB 3.36Å; T673-A676 PolarHBondContact O-N 2.94Å; T673-L677 WeakPolarHBondContact O-CG 3.4Å; T673-L677 PolarHBondContact O-N 3.22Å; T673-C760 HydrophobicContact CG2-CB 3.57Å; T673-M764 HydrophobicContact CG2-CE 4.18Å; T673-M764 HydrophobicContact CG2-CG 3.67Å; T673-M764 HydrophobicContact CG2-SD 3.67Å
674	V	87	Confident	82.4	Confident	20 Å²	20	23.1 Å²	23.1	12%	0.121	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-35.9	175.7	172	0	0	0	0	110.6	L612 F670 L671 A676 L677 E678 C712	L612-V674 HydrophobicContact CD1-CG1 4.45Å; F670-V674 PolarHBondContact O-N 3.03Å; L671-V674 PolarHBondContact O-N 2.73Å; V674-A676 VanDerWaalsContact C-N 3.33Å; V674-A676 PolarHBondContact O-N 2.85Å; V674-L677 PolarHBondContact O-N 3Å; V674-E678 VanDerWaalsContact O-CB 3.26Å; V674-E678 WeakPolarHBondContact O-CB 3.38Å; V674-E678 PolarHBondContact O-N 2.96Å; V674-C712 WeakPolarHBondContact CG2-SG 3.35Å
675	A	81.6	Confident	80.9	Confident	14 Å²	14	25 Å²	25	12%	0.116	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-43.9	174.8	0	0	0	0	0	111.6	L612 L671 L672 T673 R679 V792	L612-A675 HydrophobicContact CD2-CB 3.23Å; L612-A675 HydrophobicContact CG-CB 4.26Å; L671-A675 WeakPolarHBondContact O-CB 3.29Å; L671-A675 PolarHBondContact O-N 2.86Å; L672-A675 WeakPolarHBondContact O-CB 3.26Å; L672-A675 PolarHBondContact O-N 3.21Å; T673-A675 VanDerWaalsContact C-N 3.3Å; T673-A675 PolarHBondContact O-N 2.9Å; A675-R679 WeakPolarHBondContact O-CG 3.46Å; A675-R679 PolarHBondContact O-N 2.83Å; A675-V792 HydrophobicContact CB-CG1 4.47Å
676	A	80.6	Confident	79.4	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-45.4	177.3	0	0	0	0	0	112.3	L672 T673 V674 C680 M764 A767 Y768 L796	L672-A676 PolarHBondContact O-N 2.79Å; T673-A676 WeakPolarHBondContact O-CB 3.36Å; T673-A676 PolarHBondContact O-N 2.94Å; V674-A676 VanDerWaalsContact C-N 3.33Å; V674-A676 PolarHBondContact O-N 2.85Å; A676-C680 PolarHBondContact O-N 3.32Å; A676-C680 VanDerWaalsContact O-N 3.09Å; A676-M764 HydrophobicContact CB-CB 4.45Å; A676-M764 HydrophobicContact CB-CG 4.09Å; A676-A767 HydrophobicContact CB-CB 4.3Å; A676-Y768 HydrophobicContact CB-CD2 3.95Å; A676-Y768 HydrophobicContact CB-CE2 3.48Å; A676-Y768 VanDerWaalsContact CB-CE2 3.48Å; A676-L796 HydrophobicContact CB-CD1 4.35Å
677	L	83.6	Confident	77.7	Confident	74 Å²	74	29.6 Å²	29.6	39%	0.387	19%	0.194	S	C	.	.	H	α-helix	trans	-68.9	-43.5	-179	-71	172.9	0	0	0	112.2	T673 V674 R679 C680 L681 V763 A767	T673-L677 WeakPolarHBondContact O-CG 3.4Å; T673-L677 PolarHBondContact O-N 3.22Å; V674-L677 PolarHBondContact O-N 3Å; L677-R679 VanDerWaalsContact C-N 3.29Å; L677-R679 PolarHBondContact O-N 3.07Å; L677-C680 PolarHBondContact O-N 3.34Å; L677-L681 WeakPolarHBondContact O-CB 3.42Å; L677-L681 VanDerWaalsContact O-CG 3.3Å; L677-L681 WeakPolarHBondContact O-CG 3.47Å; L677-L681 PolarHBondContact O-N 2.99Å; L677-V763 HydrophobicContact CD1-CG1 4.4Å; L677-V763 HydrophobicContact CD2-CG1 4.16Å; L677-V763 HydrophobicContact CG-CG1 4.45Å; L677-A767 HydrophobicContact CD2-CB 4.38Å
678	E	81.8	Confident	75.8	Confident	21 Å²	21	37 Å²	37	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-54.4	-47.6	175.8	-174.8	-81.8	136.1	0	0	110.5	V674 L681 S682 I705	V674-E678 VanDerWaalsContact O-CB 3.26Å; V674-E678 WeakPolarHBondContact O-CB 3.38Å; V674-E678 PolarHBondContact O-N 2.96Å; E678-L681 PolarHBondContact O-N 2.9Å; E678-S682 WeakPolarHBondContact O-CB 3.34Å; E678-S682 PolarHBondContact O-N 3.14Å; E678-S682 PolarHBondContact O-OG 3.29Å; E678-S682 VanDerWaalsContact O-OG 3.09Å; E678-S682 PolarHBondContact OE1-OG 3.35Å; E678-I705 HydrophobicContact CG-CD1 3.72Å; E678-I705 HydrophobicContact CG-CG1 4.48Å
679	R	76.4	Confident	73.8	Confident	23 Å²	23	41.6 Å²	41.6	9%	0.087	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-38.8	178.4	-66.1	-55.2	175.8	95.2	29.6	114.3	P609 A675 L677 L681 A683 L788	P609-R679 VanDerWaalsContact CB-NH2 3.29Å; A675-R679 WeakPolarHBondContact O-CG 3.46Å; A675-R679 PolarHBondContact O-N 2.83Å; L677-R679 VanDerWaalsContact C-N 3.29Å; L677-R679 PolarHBondContact O-N 3.07Å; R679-L681 VanDerWaalsContact C-N 3.31Å; R679-L681 PolarHBondContact O-N 2.92Å; R679-A683 WeakPolarHBondContact O-CB 3.45Å; R679-A683 PolarHBondContact O-N 2.91Å; R679-A683 VanDerWaalsContact O-N 3.08Å; R679-L788 VanDerWaalsContact NH1-CD2 3.28Å; R679-L788 VanDerWaalsContact NH1-CG 3.34Å
680	C	74.8	Confident	71.9	Confident	14 Å²	14	45.3 Å²	45.3	10%	0.095	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-36.5	175.9	-174.4	0	0	0	0	112.2	A676 L677 A684 A767	A676-C680 PolarHBondContact O-N 3.32Å; A676-C680 VanDerWaalsContact O-N 3.09Å; L677-C680 PolarHBondContact O-N 3.34Å; C680-A684 PolarHBondContact O-N 2.9Å; C680-A767 HydrophobicContact CB-CB 4.34Å
681	L	76.4	Confident	69.8	Low	100 Å²	100	54.4 Å²	54.4	52%	0.524	33%	0.327	S	S	.	.	H	α-helix	trans	-76.1	-43.5	179.3	-69	172.3	0	0	0	112	L677 E678 R679 A683 A684 G685	L677-L681 WeakPolarHBondContact O-CB 3.42Å; L677-L681 VanDerWaalsContact O-CG 3.3Å; L677-L681 WeakPolarHBondContact O-CG 3.47Å; L677-L681 PolarHBondContact O-N 2.99Å; E678-L681 PolarHBondContact O-N 2.9Å; R679-L681 VanDerWaalsContact C-N 3.31Å; R679-L681 PolarHBondContact O-N 2.92Å; L681-A683 VanDerWaalsContact C-N 3.28Å; L681-A683 PolarHBondContact O-N 2.79Å; L681-A684 WeakPolarHBondContact O-CB 3.5Å; L681-A684 PolarHBondContact O-N 3.31Å; L681-G685 PolarHBondContact O-N 3.34Å
682	S	72.3	Confident	67.4	Low	56 Å²	56	58.1 Å²	58.1	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-39.5	175.3	-67.8	0	0	0	0	111.5	E678 A686	E678-S682 WeakPolarHBondContact O-CB 3.34Å; E678-S682 PolarHBondContact O-N 3.14Å; E678-S682 PolarHBondContact O-OG 3.29Å; E678-S682 VanDerWaalsContact O-OG 3.09Å; E678-S682 PolarHBondContact OE1-OG 3.35Å; S682-A686 PolarHBondContact O-N 3.46Å
683	A	66.5	Low	65.5	Low	36 Å²	36	61.4 Å²	61.4	30%	0.298	40%	0.395	S	S	.	.	H	α-helix	trans	-69.1	-31.7	173.1	0	0	0	0	0	113.8	R679 L681 L771	R679-A683 WeakPolarHBondContact O-CB 3.45Å; R679-A683 PolarHBondContact O-N 2.91Å; R679-A683 VanDerWaalsContact O-N 3.08Å; L681-A683 VanDerWaalsContact C-N 3.28Å; L681-A683 PolarHBondContact O-N 2.79Å; A683-L771 HydrophobicContact CB-CD1 3.66Å
684	A	64.7	Low	63.2	Low	23 Å²	23	72 Å²	72	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-71.4	-43.7	178.2	0	0	0	0	0	112.3	C680 L681 A686 T687 Q688	C680-A684 PolarHBondContact O-N 2.9Å; L681-A684 WeakPolarHBondContact O-CB 3.5Å; L681-A684 PolarHBondContact O-N 3.31Å; A684-A686 VanDerWaalsContact C-N 3.32Å; A684-A686 PolarHBondContact O-N 3.08Å; A684-T687 PolarHBondContact O-N 3.27Å; A684-T687 PolarHBondContact O-OG1 3.01Å; A684-Q688 PolarHBondContact O-N 2.93Å
685	G	59.1	Low	61	Low	41 Å²	41	76.5 Å²	76.5	42%	0.423	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-36.9	178.5	0	0	0	0	0	113	L681 T687 Q688 S689	L681-G685 PolarHBondContact O-N 3.34Å; G685-T687 VanDerWaalsContact C-N 3.32Å; G685-T687 PolarHBondContact O-N 2.85Å; G685-Q688 PolarHBondContact O-N 2.83Å; G685-S689 PolarHBondContact O-N 3.11Å
686	A	56.2	Low	58.7	Low	69 Å²	69	81.4 Å²	81.4	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-61.5	-36.9	175.7	0	0	0	0	0	112.8	S682 A684	S682-A686 PolarHBondContact O-N 3.46Å; A684-A686 VanDerWaalsContact C-N 3.32Å; A684-A686 PolarHBondContact O-N 3.08Å
687	T	51.8	Low	56.9	Low	74 Å²	74	85.7 Å²	85.7	45%	0.454	54%	0.544	S	S	.	.	H	α-helix	trans	-73.8	-33.4	177.8	52.2	0	0	0	0	113.9	A684 G685 S690	A684-T687 PolarHBondContact O-N 3.27Å; A684-T687 PolarHBondContact O-OG1 3.01Å; G685-T687 VanDerWaalsContact C-N 3.32Å; G685-T687 PolarHBondContact O-N 2.85Å; T687-S690 PolarHBondContact O-OG 3.1Å
688	Q	50.9	Low	54.7	Low	154 Å²	154	85.5 Å²	85.5	72%	0.72	56%	0.56	S	S	*	*	H	α-helix	trans	-71.8	-32	178.2	-91.5	178	-13.5	0	0	113.1	A684 G685 S690 K691	A684-Q688 PolarHBondContact O-N 2.93Å; G685-Q688 PolarHBondContact O-N 2.83Å; Q688-S690 PolarHBondContact O-N 3.04Å; Q688-S690 VanDerWaalsContact O-N 3.17Å; Q688-K691 PolarHBondContact O-N 2.94Å
689	S	48.2	Very low	52.9	Low	101 Å²	101	89.8 Å²	89.8	71%	0.706	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-14.6	177.9	-168.4	0	0	0	0	114.1	G685	G685-S689 PolarHBondContact O-N 3.11Å
690	S	47.3	Very low	51.4	Low	95 Å²	95	92.8 Å²	92.8	66%	0.664	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-10.9	179.6	72.2	0	0	0	0	114.8	T687 Q688	T687-S690 PolarHBondContact O-OG 3.1Å; Q688-S690 PolarHBondContact O-N 3.04Å; Q688-S690 VanDerWaalsContact O-N 3.17Å
691	K	44.6	Very low	50.5	Low	197 Å²	197	94.8 Å²	94.8	86%	0.857	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-1.4	-171.7	-87.1	-173.2	176.8	-178.8	0	116.8	Q688	Q688-K691 PolarHBondContact O-N 2.94Å
692	A	39.5	Very low	49.9	Very low	79 Å²	79	93.8 Å²	93.8	65%	0.653	63%	0.63	S	S	*	*			trans	-136.6	109.5	179.2	0	0	0	0	0	112
693	G	45.9	Very low	49.8	Very low	81 Å²	81	97.6 Å²	97.6	84%	0.835	65%	0.645	S	S	*	*			trans	-73	134	160.5	0	0	0	0	0	110.2
694	R	37.5	Very low	50.3	Low	238 Å²	238	101.9 Å²	101.9	90%	0.898	66%	0.657	S	S	*	*	S	Bend	trans	90.4	107.1	174.9	-73.7	177.1	157.7	146	-5.4	118.6
695	S	41.9	Very low	51	Low	115 Å²	115	101.9 Å²	101.9	80%	0.804	65%	0.654	S	S	*	*			trans	46.9	92.1	135.9	63.8	0	0	0	0	119.1
696	S	32.7	Very low	52	Low	118 Å²	118	108.3 Å²	108.3	83%	0.825	67%	0.665	S	S	*	*				-150.7	125.2	120	64	0	0	0	0	108.4	G698	S696-G698 PolarHBondContact O-N 2.85Å
697	G	42.8	Very low	53.4	Low	91 Å²	91	110.3 Å²	110.3	94%	0.938	67%	0.666	S	S	*	*			trans	-70.1	114.9	176.6	0	0	0	0	0	109.7
698	G	37.4	Very low	55	Low	70 Å²	70	108.1 Å²	108.1	72%	0.722	65%	0.653	S	S	*	*			trans	-154.2	54.8	170.5	0	0	0	0	0	108.8	S696 S700	S696-G698 PolarHBondContact O-N 2.85Å; G698-S700 PolarHBondContact O-N 3.29Å
699	S	42.9	Very low	56.7	Low	110 Å²	110	101.5 Å²	101.5	77%	0.769	62%	0.623	S	S	*	*			trans	-58.8	128.2	159.5	57.7	0	0	0	0	106.5	S701	S699-S701 PolarHBondContact O-N 2.51Å
700	S	45	Very low	58.6	Low	87 Å²	87	103 Å²	103	61%	0.608	62%	0.617	S	S	*	*			trans	-47.8	108.5	172.2	-5.9	0	0	0	0	107.7	G698	G698-S700 PolarHBondContact O-N 3.29Å
701	S	56.8	Low	60.5	Low	55 Å²	55	103.4 Å²	103.4	39%	0.385	61%	0.611	S	S	.	*			trans	-64.9	141.2	-169.5	64.4	0	0	0	0	109.6	S699 L703 F704	S699-S701 PolarHBondContact O-N 2.51Å; S701-L703 PolarHBondContact O-N 2.76Å; S701-F704 PolarHBondContact O-N 3.23Å
702	P	63.9	Low	62.7	Low	79 Å²	79	94.6 Å²	94.6	51%	0.513	57%	0.574	S	S	.	*	H	α-helix	trans	-55.9	-15.4	170.8	23.1	-33.7	0	0	0	112.6	R706	P702-R706 VanDerWaalsContact O-CG 3.26Å; P702-R706 WeakPolarHBondContact O-CG 3.2Å; P702-R706 PolarHBondContact O-N 2.02Å
703	L	70.9	Confident	65.1	Low	136 Å²	136	93.4 Å²	93.4	71%	0.712	55%	0.554	S	S	*	*	H	α-helix	trans	-66.8	-42.1	174	-130.2	107.3	0	0	0	113	S701 I705 R706 L707	S701-L703 PolarHBondContact O-N 2.76Å; L703-I705 PolarHBondContact O-N 2.85Å; L703-R706 PolarHBondContact O-N 2.87Å; L703-L707 WeakPolarHBondContact O-CB 3.27Å; L703-L707 PolarHBondContact O-N 3.46Å
704	F	75.7	Confident	67.3	Low	126 Å²	126	93.7 Å²	93.7	55%	0.553	54%	0.536	S	S	*	.	H	α-helix	trans	-66.5	-38.6	-177	-172.7	-94.5	0	0	0	111.9	S701 L707 S708	S701-F704 PolarHBondContact O-N 3.23Å; F704-L707 PolarHBondContact O-N 2.79Å; F704-S708 WeakPolarHBondContact O-CB 3.23Å; F704-S708 PolarHBondContact O-N 3.07Å; F704-S708 PolarHBondContact O-OG 2.64Å
705	I	79.4	Confident	69.7	Low	24 Å²	24	85.2 Å²	85.2	12%	0.123	51%	0.508	C	S	.	.	H	α-helix	trans	-72.1	-40.3	177.8	-59.9	166.5	0	0	0	110.6	T608 E678 L703 L707 S708 I709	T608-I705 HydrophobicContact CG2-CB 3.99Å; T608-I705 HydrophobicContact CG2-CD1 3.66Å; T608-I705 HydrophobicContact CG2-CG1 4.39Å; T608-I705 HydrophobicContact CG2-CG2 3.42Å; T608-I705 VanDerWaalsContact CG2-CG2 3.42Å; E678-I705 HydrophobicContact CG-CD1 3.72Å; E678-I705 HydrophobicContact CG-CG1 4.48Å; L703-I705 PolarHBondContact O-N 2.85Å; I705-L707 VanDerWaalsContact C-N 3.33Å; I705-L707 PolarHBondContact O-N 3.42Å; I705-S708 PolarHBondContact O-N 2.87Å; I705-I709 HydrophobicContact CG2-CD1 4.02Å; I705-I709 HydrophobicContact CG2-CG1 4.44Å; I705-I709 VanDerWaalsContact O-CG1 3.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.5Å; I705-I709 PolarHBondContact O-N 3.48Å
706	R	81.7	Confident	71.8	Confident	175 Å²	175	79.8 Å²	79.8	66%	0.66	47%	0.47	S	S	*	.	H	α-helix	trans	-61.8	-39.6	173.4	-73.9	177.1	-178.8	-162.9	1	112.3	P702 L703 I709 F710	P702-R706 VanDerWaalsContact O-CG 3.26Å; P702-R706 WeakPolarHBondContact O-CG 3.2Å; P702-R706 PolarHBondContact O-N 2.02Å; L703-R706 PolarHBondContact O-N 2.87Å; R706-I709 PolarHBondContact O-N 2.87Å; R706-F710 PolarHBondContact O-N 3.28Å
707	L	84.9	Confident	74.5	Confident	112 Å²	112	79.2 Å²	79.2	59%	0.586	45%	0.453	S	S	*	.	H	α-helix	trans	-65.4	-41.2	173.8	-174.1	68.6	0	0	0	111.7	L703 F704 I705 F710 L711	L703-L707 WeakPolarHBondContact O-CB 3.27Å; L703-L707 PolarHBondContact O-N 3.46Å; F704-L707 PolarHBondContact O-N 2.79Å; I705-L707 VanDerWaalsContact C-N 3.33Å; I705-L707 PolarHBondContact O-N 3.42Å; L707-F710 PolarHBondContact O-N 3.11Å; L707-L711 WeakPolarHBondContact O-CB 3.48Å; L707-L711 PolarHBondContact O-N 3.01Å
708	S	84.4	Confident	76.5	Confident	27 Å²	27	79 Å²	79	19%	0.189	43%	0.433	C	S	.	.	H	α-helix	trans	-64	-41.2	176.7	-58.3	0	0	0	0	111.8	F704 I705 L711 C712	F704-S708 WeakPolarHBondContact O-CB 3.23Å; F704-S708 PolarHBondContact O-N 3.07Å; F704-S708 PolarHBondContact O-OG 2.64Å; I705-S708 PolarHBondContact O-N 2.87Å; S708-L711 PolarHBondContact O-N 3.19Å; S708-C712 PolarHBondContact O-N 3.26Å; S708-C712 PolarHBondContact O-SG 2.99Å
709	I	87.1	Confident	78.7	Confident	15 Å²	15	77.2 Å²	77.2	8%	0.077	41%	0.407	C	S	.	.	H	α-helix	trans	-61.4	-49.1	173.4	-69.8	165.2	0	0	0	110.1	L611 L612 L615 L671 I705 R706 L711 C712 F713	L611-I709 HydrophobicContact CD2-CD1 4.23Å; L612-I709 HydrophobicContact CD1-CD1 4.21Å; L612-I709 HydrophobicContact CD1-CG1 4.05Å; L615-I709 HydrophobicContact CD1-CD1 4.08Å; L615-I709 HydrophobicContact CD1-CG2 3.61Å; L671-I709 HydrophobicContact CD2-CG2 4.44Å; I705-I709 HydrophobicContact CG2-CD1 4.02Å; I705-I709 HydrophobicContact CG2-CG1 4.44Å; I705-I709 VanDerWaalsContact O-CG1 3.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.5Å; I705-I709 PolarHBondContact O-N 3.48Å; R706-I709 PolarHBondContact O-N 2.87Å; I709-L711 VanDerWaalsContact C-N 3.28Å; I709-L711 PolarHBondContact O-N 2.79Å; I709-C712 WeakPolarHBondContact O-CB 3.14Å; I709-C712 PolarHBondContact O-N 3.27Å; I709-C712 VanDerWaalsContact O-N 3.09Å; I709-F713 HydrophobicContact CG2-CD2 4.08Å; I709-F713 HydrophobicContact CG2-CE2 3.99Å; I709-F713 WeakPolarHBondContact O-CD2 3.43Å; I709-F713 PolarHBondContact O-N 2.58Å
710	F	87.8	Confident	80.5	Confident	134 Å²	134	72 Å²	72	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-57	-42.9	177.2	178.3	-97.6	0	0	0	111.9	R706 L707 C712 F713 L714	R706-F710 PolarHBondContact O-N 3.28Å; L707-F710 PolarHBondContact O-N 3.11Å; F710-C712 VanDerWaalsContact C-N 3.34Å; F710-C712 PolarHBondContact O-N 3.25Å; F710-F713 PolarHBondContact O-N 2.86Å; F710-L714 HydrophobicContact CE1-CD1 4.2Å; F710-L714 HydrophobicContact CZ-CD1 4.27Å; F710-L714 WeakPolarHBondContact O-CB 3.49Å; F710-L714 PolarHBondContact O-N 2.84Å
711	L	88.8	Confident	82.1	Confident	103 Å²	103	71.3 Å²	71.3	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-62.5	-37.7	176.3	-171.9	69.4	0	0	0	112.4	L707 S708 I709 L714 L715	L707-L711 WeakPolarHBondContact O-CB 3.48Å; L707-L711 PolarHBondContact O-N 3.01Å; S708-L711 PolarHBondContact O-N 3.19Å; I709-L711 VanDerWaalsContact C-N 3.28Å; I709-L711 PolarHBondContact O-N 2.79Å; L711-L714 HydrophobicContact CD1-CD2 4.38Å; L711-L714 PolarHBondContact O-N 3.38Å; L711-L715 VanDerWaalsContact O-CB 3.28Å; L711-L715 WeakPolarHBondContact O-CB 3.44Å; L711-L715 PolarHBondContact O-N 2.83Å
712	C	89.9	Confident	82.9	Confident	11 Å²	11	71.8 Å²	71.8	7%	0.074	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-46.2	176.1	-66.4	0	0	0	0	111.8	F670 L671 V674 S708 I709 F710 L715 G716	F670-C712 HydrophobicContact CB-CB 3.77Å; L671-C712 HydrophobicContact CD2-CB 4.4Å; V674-C712 WeakPolarHBondContact CG2-SG 3.35Å; S708-C712 PolarHBondContact O-N 3.26Å; S708-C712 PolarHBondContact O-SG 2.99Å; I709-C712 WeakPolarHBondContact O-CB 3.14Å; I709-C712 PolarHBondContact O-N 3.27Å; I709-C712 VanDerWaalsContact O-N 3.09Å; F710-C712 VanDerWaalsContact C-N 3.34Å; F710-C712 PolarHBondContact O-N 3.25Å; C712-L715 PolarHBondContact O-N 2.91Å; C712-G716 PolarHBondContact O-N 2.91Å
713	F	90.7	Very high	82.8	Confident	54 Å²	54	69.1 Å²	69.1	24%	0.237	34%	0.344	C	S	.	.	H	α-helix	trans	-67.5	-39.4	177.6	-80.2	-86.9	0	0	0	112.1	L615 V619 F663 T667 L671 I709 F710 F717	L615-F713 HydrophobicContact CD2-CE2 4.45Å; L615-F713 HydrophobicContact CD2-CZ 4.36Å; V619-F713 HydrophobicContact CG2-CE1 3.98Å; V619-F713 HydrophobicContact CG2-CZ 3.94Å; F663-F713 HydrophobicContact CZ-CD1 4Å; F663-F713 HydrophobicContact CZ-CE1 4.45Å; T667-F713 HydrophobicContact CG2-CD1 3.8Å; T667-F713 HydrophobicContact CG2-CD2 4.45Å; T667-F713 HydrophobicContact CG2-CE1 3.81Å; T667-F713 HydrophobicContact CG2-CE2 4.46Å; T667-F713 HydrophobicContact CG2-CG 4.13Å; T667-F713 HydrophobicContact CG2-CZ 4.15Å; L671-F713 HydrophobicContact CD1-CE2 4.31Å; L671-F713 HydrophobicContact CD1-CZ 4.25Å; L671-F713 HydrophobicContact CD2-CE2 4.16Å; I709-F713 HydrophobicContact CG2-CD2 4.08Å; I709-F713 HydrophobicContact CG2-CE2 3.99Å; I709-F713 WeakPolarHBondContact O-CD2 3.43Å; I709-F713 PolarHBondContact O-N 2.58Å; F710-F713 PolarHBondContact O-N 2.86Å; F713-F717 WeakPolarHBondContact O-CB 3.31Å; F713-F717 PolarHBondContact O-N 3.47Å
714	L	90.7	Very high	82.7	Confident	87 Å²	87	65.1 Å²	65.1	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-46.4	175.7	-170.4	108.3	0	0	0	111.4	F710 L711 F717 V718	F710-L714 HydrophobicContact CE1-CD1 4.2Å; F710-L714 HydrophobicContact CZ-CD1 4.27Å; F710-L714 WeakPolarHBondContact O-CB 3.49Å; F710-L714 PolarHBondContact O-N 2.84Å; L711-L714 HydrophobicContact CD1-CD2 4.38Å; L711-L714 PolarHBondContact O-N 3.38Å; L714-F717 PolarHBondContact O-N 3.2Å; L714-V718 WeakPolarHBondContact O-CG2 3.26Å; L714-V718 PolarHBondContact O-N 3.24Å
715	L	88.4	Confident	82.2	Confident	61 Å²	61	66.2 Å²	66.2	32%	0.319	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-44.2	179.2	-164	80.6	0	0	0	111.2	F670 L711 C712 F717 V718 I719 F756	F670-L715 HydrophobicContact CD2-CB 4.34Å; F670-L715 HydrophobicContact CD2-CD2 4.05Å; F670-L715 HydrophobicContact CE1-CD2 4.31Å; F670-L715 HydrophobicContact CE2-CB 4.12Å; F670-L715 HydrophobicContact CE2-CD2 3.61Å; F670-L715 HydrophobicContact CE2-CG 4.03Å; F670-L715 HydrophobicContact CZ-CD2 3.77Å; F670-L715 HydrophobicContact CZ-CG 4.48Å; L711-L715 VanDerWaalsContact O-CB 3.28Å; L711-L715 WeakPolarHBondContact O-CB 3.44Å; L711-L715 PolarHBondContact O-N 2.83Å; C712-L715 PolarHBondContact O-N 2.91Å; L715-F717 VanDerWaalsContact C-N 3.29Å; L715-F717 PolarHBondContact O-N 3.25Å; L715-V718 PolarHBondContact O-N 2.79Å; L715-I719 HydrophobicContact CD2-CD1 4.26Å; L715-I719 HydrophobicContact CG-CD1 3.95Å; L715-I719 WeakPolarHBondContact O-CG1 3.36Å; L715-I719 PolarHBondContact O-N 3.09Å; L715-F756 HydrophobicContact CD2-CE1 3.74Å; L715-F756 HydrophobicContact CD2-CZ 3.72Å
716	G	86.6	Confident	81.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-39.5	174.3	0	0	0	0	0	112.5	C712 T720	C712-G716 PolarHBondContact O-N 2.91Å; G716-T720 WeakPolarHBondContact O-CB 3.34Å; G716-T720 WeakPolarHBondContact O-CG2 3.48Å; G716-T720 PolarHBondContact O-N 3Å; G716-T720 PolarHBondContact O-OG1 3.01Å
717	F	88.6	Confident	80	Confident	107 Å²	107	61.6 Å²	61.6	47%	0.469	34%	0.339	S	S	.	.	H	α-helix	trans	-67.8	-42.8	174.9	-174.9	-96.6	0	0	0	112.8	F659 F663 F713 L714 L715 T720 L721	F659-F717 HydrophobicContact CE2-CD2 4.25Å; F659-F717 HydrophobicContact CE2-CE2 4.31Å; F659-F717 HydrophobicContact CZ-CD2 4.06Å; F659-F717 HydrophobicContact CZ-CE2 4.21Å; F663-F717 HydrophobicContact CE2-CB 4.42Å; F713-F717 WeakPolarHBondContact O-CB 3.31Å; F713-F717 PolarHBondContact O-N 3.47Å; L714-F717 PolarHBondContact O-N 3.2Å; L715-F717 VanDerWaalsContact C-N 3.29Å; L715-F717 PolarHBondContact O-N 3.25Å; F717-T720 WeakPolarHBondContact CA-OG1 3.44Å; F717-T720 PolarHBondContact O-N 3.2Å; F717-T720 PolarHBondContact O-OG1 2.69Å; F717-L721 HydrophobicContact CE1-CD1 3.88Å; F717-L721 HydrophobicContact CZ-CD1 3.99Å; F717-L721 PolarHBondContact O-N 2.95Å
718	V	85.9	Confident	78.5	Confident	86 Å²	86	62.8 Å²	62.8	52%	0.521	34%	0.342	S	S	.	.	H	α-helix	trans	-65	-43.2	179.4	170.7	0	0	0	0	111.6	L714 L715 T720 L721	L714-V718 WeakPolarHBondContact O-CG2 3.26Å; L714-V718 PolarHBondContact O-N 3.24Å; L715-V718 PolarHBondContact O-N 2.79Å; V718-T720 PolarHBondContact O-N 2.76Å; V718-L721 PolarHBondContact O-N 3.28Å
719	I	83.4	Confident	77.3	Confident	33 Å²	33	62.6 Å²	62.6	17%	0.169	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-27.9	179.2	-69	168.8	0	0	0	111.8	Q666 F670 L715 P722 F749 L753 F756	Q666-I719 HydrophobicContact CG-CG2 4.38Å; F670-I719 HydrophobicContact CE2-CD1 3.97Å; F670-I719 HydrophobicContact CZ-CD1 3.67Å; L715-I719 HydrophobicContact CD2-CD1 4.26Å; L715-I719 HydrophobicContact CG-CD1 3.95Å; L715-I719 WeakPolarHBondContact O-CG1 3.36Å; L715-I719 PolarHBondContact O-N 3.09Å; I719-P722 WeakPolarHBondContact O-CD 3.08Å; I719-F749 WeakPolarHBondContact O-CE2 3.24Å; I719-F749 WeakPolarHBondContact O-CZ 3.4Å; I719-L753 HydrophobicContact CG2-CD1 3.81Å; I719-F756 HydrophobicContact CD1-CD1 4.47Å; I719-F756 HydrophobicContact CD1-CE1 4.47Å
720	T	80	Confident	76	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-93.2	-5.8	-175.4	51.2	0	0	0	0	114.2	F659 V662 F663 G716 F717 V718 P723	F659-T720 WeakPolarHBondContact CE2-OG1 3.48Å; V662-T720 HydrophobicContact CB-CG2 3.82Å; V662-T720 HydrophobicContact CG1-CG2 3.57Å; F663-T720 VanDerWaalsContact CA-CG2 3.49Å; F663-T720 HydrophobicContact CB-CG2 3.78Å; F663-T720 HydrophobicContact CD2-CG2 4.49Å; F663-T720 VanDerWaalsContact N-CG2 3.3Å; G716-T720 WeakPolarHBondContact O-CB 3.34Å; G716-T720 WeakPolarHBondContact O-CG2 3.48Å; G716-T720 PolarHBondContact O-N 3Å; G716-T720 PolarHBondContact O-OG1 3.01Å; F717-T720 WeakPolarHBondContact CA-OG1 3.44Å; F717-T720 PolarHBondContact O-N 3.2Å; F717-T720 PolarHBondContact O-OG1 2.69Å; V718-T720 PolarHBondContact O-N 2.76Å; T720-P723 WeakPolarHBondContact O-CD 3.16Å
721	L	79	Confident	75.3	Confident	72 Å²	72	57 Å²	57	38%	0.377	32%	0.319	S	S	.	.	H	α-helix	trans	-66.9	-41.7	179.2	-152.4	78.9	0	0	0	114	F717 V718 L724 M725	F717-L721 HydrophobicContact CE1-CD1 3.88Å; F717-L721 HydrophobicContact CZ-CD1 3.99Å; F717-L721 PolarHBondContact O-N 2.95Å; V718-L721 PolarHBondContact O-N 3.28Å; L721-L724 WeakPolarHBondContact O-CB 3.06Å; L721-L724 PolarHBondContact O-N 3.02Å; L721-L724 VanDerWaalsContact O-N 3.14Å; L721-M725 PolarHBondContact O-N 3.36Å
722	P	72.9	Confident	74.7	Confident	65 Å²	65	52.2 Å²	52.2	42%	0.422	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-43.2	-177.9	-20.1	31.3	0	0	0	114.4	I719 L724 M725 A726 F749	I719-P722 WeakPolarHBondContact O-CD 3.08Å; P722-L724 VanDerWaalsContact C-N 3.26Å; P722-L724 PolarHBondContact O-N 2.79Å; P722-M725 PolarHBondContact O-N 2.93Å; P722-A726 PolarHBondContact O-N 2.83Å; P722-F749 HydrophobicContact CB-CD2 4.45Å; P722-F749 HydrophobicContact CB-CE2 4.29Å; P722-F749 HydrophobicContact CG-CD2 4.41Å; P722-F749 HydrophobicContact CG-CE2 4.03Å
723	P	63.1	Low	74.2	Confident	24 Å²	24	51.7 Å²	51.7	16%	0.156	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-27.9	173.2	-26.2	34.2	0	0	0	115.2	T720 P736 F749	T720-P723 WeakPolarHBondContact O-CD 3.16Å; P723-P736 HydrophobicContact CG-CB 4.38Å; P723-F749 HydrophobicContact CG-CE1 3.87Å; P723-F749 HydrophobicContact CG-CZ 3.83Å
724	L	68.4	Low	73.6	Confident	52 Å²	52	49.5 Å²	49.5	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-76.8	-32.4	177.8	-168.7	72.8	0	0	0	111.9	R655 F659 L721 P722	R655-L724 HydrophobicContact CB-CD1 4.43Å; F659-L724 HydrophobicContact CB-CD1 4.48Å; L721-L724 WeakPolarHBondContact O-CB 3.06Å; L721-L724 PolarHBondContact O-N 3.02Å; L721-L724 VanDerWaalsContact O-N 3.14Å; P722-L724 VanDerWaalsContact C-N 3.26Å; P722-L724 PolarHBondContact O-N 2.79Å
725	M	64.6	Low	72.9	Confident	148 Å²	148	45.7 Å²	45.7	73%	0.729	26%	0.262	S	S	*	.	H	α-helix	trans	-85.7	-23	-178.8	-67.1	-115.2	61.8	0	0	113.3	L721 P722 G727	L721-M725 PolarHBondContact O-N 3.36Å; P722-M725 PolarHBondContact O-N 2.93Å; M725-G727 PolarHBondContact O-N 3.1Å
726	A	62	Low	71.8	Confident	51 Å²	51	45.1 Å²	45.1	42%	0.421	26%	0.262	S	S	.	.	S	Bend	trans	-67.7	123.6	175.4	0	0	0	0	0	110.8	P722 H728	P722-A726 PolarHBondContact O-N 2.83Å; A726-H728 VanDerWaalsContact C-N 3.28Å; A726-H728 PolarHBondContact O-N 2.91Å
727	G	52.1	Low	70.6	Confident	51 Å²	51	47.4 Å²	47.4	53%	0.526	27%	0.274	S	S	.	.	S	Bend	trans	-69.1	-15.3	-170.2	0	0	0	0	0	116	M725	M725-G727 PolarHBondContact O-N 3.1Å
728	H	55.1	Low	69.1	Low	137 Å²	137	44.8 Å²	44.8	63%	0.634	27%	0.268	S	S	*	.	S	Bend	trans	-142.8	132.2	-177.9	-67.7	91.5	0	0	0	111.1	A726	A726-H728 VanDerWaalsContact C-N 3.28Å; A726-H728 PolarHBondContact O-N 2.91Å
729	S	57.9	Low	67.3	Low	24 Å²	24	42.2 Å²	42.2	17%	0.168	25%	0.254	C	S	.	.			trans	-82.9	134.4	171.7	-166.4	0	0	0	0	110.8	S731 C734	S729-S731 PolarHBondContact O-N 3.11Å; S729-S731 PolarHBondContact OG-O 3.06Å; S729-C734 VanDerWaalsContact OG-CA 3.24Å; S729-C734 WeakPolarHBondContact OG-CA 3.37Å
730	S	59	Low	65.4	Low	29 Å²	29	47.2 Å²	47.2	20%	0.203	29%	0.291	C	S	.	.	S	Bend	trans	-71.5	-17.8	179.7	53.2	0	0	0	0	113.5	R565 L737 S739	R565-S730 PolarHBondContact NE-O 2.7Å; R565-S730 PolarHBondContact NH2-O 2.79Å; S730-L737 PolarHBondContact OG-O 3.33Å; S730-S739 WeakPolarHBondContact CB-OG 3.07Å
731	S	73.5	Confident	63.7	Low	2 Å²	2	52 Å²	52	1%	0.014	33%	0.325	C	S	.	.	S	Bend	trans	-133.2	151.1	-174.3	68.9	0	0	0	0	113	S729 F733 C734 L735	S729-S731 PolarHBondContact O-N 3.11Å; S729-S731 PolarHBondContact OG-O 3.06Å; S731-F733 PolarHBondContact O-N 3.03Å; S731-F733 VanDerWaalsContact O-N 3.13Å; S731-C734 PolarHBondContact O-N 2.76Å; S731-C734 PolarHBondContact OG-N 3.02Å; S731-L735 PolarHBondContact OG-N 3.02Å; S731-L735 PolarHBondContact OG-O 3.01Å
732	S	76.6	Confident	62	Low	2 Å²	2	50.7 Å²	50.7	1%	0.014	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.2	175.3	-54	0	0	0	0	113.6	F564 R565 W648 E649 C734	F564-S732 PolarHBondContact O-N 2.93Å; F564-S732 PolarHBondContact O-OG 2.84Å; R565-S732 WeakPolarHBondContact CA-OG 3.06Å; W648-S732 PolarHBondContact NE1-O 2.81Å; E649-S732 WeakPolarHBondContact OE1-CA 3.18Å; E649-S732 WeakPolarHBondContact OE1-CB 3.42Å; E649-S732 PolarHBondContact OE1-N 3.02Å; E649-S732 PolarHBondContact OE1-OG 3.35Å; S732-C734 VanDerWaalsContact C-N 3.33Å
733	F	78.8	Confident	60.9	Low	1 Å²	1	51.4 Å²	51.4	0%	0.004	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.2	173.8	-57.9	-65.9	0	0	0	113.4	F564 L570 L571 S731 L735 K826 L830	F564-F733 AromaticContact CD1-CD2 3.89Å; F564-F733 HydrophobicContact CD1-CD2 3.89Å; F564-F733 AromaticContact CD1-CE2 3.97Å; F564-F733 HydrophobicContact CD1-CE2 3.97Å; L570-F733 HydrophobicContact CD1-CD1 4.02Å; L570-F733 HydrophobicContact CD1-CE1 3.67Å; L570-F733 HydrophobicContact CD1-CZ 4.28Å; L570-F733 HydrophobicContact CG-CD1 4.36Å; L570-F733 HydrophobicContact CG-CE1 3.85Å; L570-F733 WeakPolarHBondContact O-CE1 3.34Å; L570-F733 WeakPolarHBondContact O-CZ 3.39Å; L571-F733 HydrophobicContact CD2-CE1 4.21Å; S731-F733 PolarHBondContact O-N 3.03Å; S731-F733 VanDerWaalsContact O-N 3.13Å; F733-L735 HydrophobicContact CB-CD1 3.85Å; F733-L735 HydrophobicContact CB-CG 4.05Å; F733-L735 PolarHBondContact O-N 3.45Å; F733-K826 HydrophobicContact CE2-CD 4.3Å; F733-K826 HydrophobicContact CE2-CG 4.33Å; F733-K826 HydrophobicContact CZ-CD 4.18Å; F733-K826 VanDerWaalsContact CZ-CE 3.4Å; F733-K826 HydrophobicContact CZ-CG 4.4Å; F733-L830 HydrophobicContact CD1-CD1 4.36Å; F733-L830 HydrophobicContact CD1-CD2 4.27Å; F733-L830 HydrophobicContact CE1-CD1 3.98Å; F733-L830 HydrophobicContact CZ-CD1 4.21Å
734	C	78.8	Confident	60.6	Low	7 Å²	7	55.3 Å²	55.3	5%	0.047	36%	0.357	C	S	.	.			trans	65.5	20.7	179	-41.6	0	0	0	0	113.8	C654 G658 S729 S731 S732	C654-C734 WeakPolarHBondContact CA-SG 3.43Å; C654-C734 HydrophobicContact CB-CB 4.05Å; C654-C734 WeakPolarHBondContact CB-SG 3.23Å; C654-C734 WeakPolarHBondContact O-CB 3.44Å; C654-C734 WeakPolarHBondContact SG-CB 3.31Å; C654-C734 CovalentContact SG-SG 2Å; C654-C734 PolarHBondContact SG-SG 2.87Å; G658-C734 WeakPolarHBondContact CA-O 3.45Å; S729-C734 VanDerWaalsContact OG-CA 3.24Å; S729-C734 WeakPolarHBondContact OG-CA 3.37Å; S731-C734 PolarHBondContact O-N 2.76Å; S731-C734 PolarHBondContact OG-N 3.02Å; S732-C734 VanDerWaalsContact C-N 3.33Å
735	L	75.4	Confident	60.4	Low	7 Å²	7	56.5 Å²	56.5	4%	0.037	37%	0.369	C	S	.	.			trans	-91.2	143.9	-178.3	-66.1	168.9	0	0	0	109.7	W626 C661 S731 F733 L737 L829	W626-L735 HydrophobicContact CZ2-CD1 4.24Å; W626-L735 HydrophobicContact CZ2-CD2 4.01Å; C661-L735 HydrophobicContact CB-CD2 3.86Å; C661-L735 VanDerWaalsContact SG-CD2 3.56Å; S731-L735 PolarHBondContact OG-N 3.02Å; S731-L735 PolarHBondContact OG-O 3.01Å; F733-L735 HydrophobicContact CB-CD1 3.85Å; F733-L735 HydrophobicContact CB-CG 4.05Å; F733-L735 PolarHBondContact O-N 3.45Å; L735-L737 HydrophobicContact CB-CD1 4.29Å; L735-L737 HydrophobicContact CB-CG 4.24Å; L735-L737 PolarHBondContact O-N 3.19Å; L735-L829 HydrophobicContact CB-CD2 4.5Å; L735-L829 HydrophobicContact CD1-CD1 4.02Å; L735-L829 HydrophobicContact CD1-CD2 3.23Å; L735-L829 HydrophobicContact CD1-CG 3.49Å; L735-L829 VanDerWaalsContact CD1-CG 3.49Å; L735-L829 HydrophobicContact CG-CD2 4.45Å
736	P	65.3	Low	60.4	Low	50 Å²	50	51.1 Å²	51.1	33%	0.325	35%	0.346	S	S	.	.			trans	-74.2	73.9	176.5	31.8	-34.5	0	0	0	109.8	V662 P723 F749	V662-P736 HydrophobicContact CG2-CG 3.79Å; P723-P736 HydrophobicContact CG-CB 4.38Å; P736-F749 HydrophobicContact CB-CD1 4.35Å; P736-F749 HydrophobicContact CB-CE1 4.09Å; P736-F749 HydrophobicContact CG-CE1 4.26Å
737	L	62.5	Low	60.7	Low	48 Å²	48	53.2 Å²	53.2	25%	0.251	35%	0.349	S	S	.	.			trans	-91.5	141.6	175.5	-73.2	161.6	0	0	0	109.6	F564 S730 L735 S739 L829	F564-L737 HydrophobicContact CD1-CD1 3.62Å; F564-L737 HydrophobicContact CE1-CD1 3.71Å; F564-L737 HydrophobicContact CG-CD1 4.4Å; S730-L737 PolarHBondContact OG-O 3.33Å; L735-L737 HydrophobicContact CB-CD1 4.29Å; L735-L737 HydrophobicContact CB-CG 4.24Å; L735-L737 PolarHBondContact O-N 3.19Å; L737-S739 PolarHBondContact O-N 3.02Å; L737-S739 VanDerWaalsContact O-N 3.08Å; L737-L829 HydrophobicContact CD1-CD2 3.97Å; L737-L829 HydrophobicContact CD2-CD2 4.05Å; L737-L829 HydrophobicContact CG-CD2 4.36Å
738	P	55.7	Low	61.6	Low	52 Å²	52	53.1 Å²	53.1	34%	0.338	34%	0.344	S	S	.	.			trans	-65.2	109	170.9	26.4	-30.9	0	0	0	109	L747	P738-L747 HydrophobicContact CB-CD1 3.91Å
739	S	50.2	Low	62.5	Low	32 Å²	32	48.9 Å²	48.9	22%	0.224	32%	0.324	C	S	.	.			trans	-88.2	148.4	169.6	34.5	0	0	0	0	111.1	S730 L737 S741 S742	S730-S739 WeakPolarHBondContact CB-OG 3.07Å; L737-S739 PolarHBondContact O-N 3.02Å; L737-S739 VanDerWaalsContact O-N 3.08Å; S739-S741 PolarHBondContact O-N 3.08Å; S739-S742 PolarHBondContact O-N 3.16Å; S739-S742 PolarHBondContact O-OG 2.8Å; S739-S742 WeakPolarHBondContact OG-CB 3.14Å; S739-S742 PolarHBondContact OG-OG 3.43Å
740	S	43.1	Very low	63.2	Low	137 Å²	137	48.7 Å²	48.7	96%	0.958	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19	175.6	45.4	0	0	0	0	114.2
741	S	43.5	Very low	63.9	Low	102 Å²	102	49.3 Å²	49.3	71%	0.713	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	3.7	-174.2	64.4	0	0	0	0	114.8	S739	S739-S741 PolarHBondContact O-N 3.08Å
742	S	43	Very low	64.1	Low	43 Å²	43	52.7 Å²	52.7	30%	0.301	35%	0.35	S	S	.	.	S	Bend	trans	-106.4	142.4	-178.5	58.7	0	0	0	0	112.2	S739 S746	S739-S742 PolarHBondContact O-N 3.16Å; S739-S742 PolarHBondContact O-OG 2.8Å; S739-S742 WeakPolarHBondContact OG-CB 3.14Å; S739-S742 PolarHBondContact OG-OG 3.43Å; S742-S746 PolarHBondContact OG-OG 3.44Å
743	S	50.4	Low	64.2	Low	80 Å²	80	54.4 Å²	54.4	56%	0.559	36%	0.359	S	S	*	.			trans	-40.6	150.2	-179.2	38.2	0	0	0	0	115	S745 S746	S743-S745 PolarHBondContact O-N 3.14Å; S743-S745 PolarHBondContact OG-OG 3.01Å; S743-S746 PolarHBondContact O-N 3.04Å; S743-S746 PolarHBondContact O-OG 2.9Å
744	S	57.4	Low	64.2	Low	107 Å²	107	55.5 Å²	55.5	75%	0.748	37%	0.365	S	S	*	.	H	α-helix	trans	-45.8	-23.2	178.8	51.6	0	0	0	0	115.1	A748	S744-A748 WeakPolarHBondContact O-CB 3.2Å; S744-A748 PolarHBondContact O-N 3.47Å; S744-A748 VanDerWaalsContact O-N 3.16Å
745	S	62.8	Low	64.3	Low	76 Å²	76	60.7 Å²	60.7	53%	0.531	39%	0.392	S	S	.	.	H	α-helix	trans	-68	-37.1	176.7	57.2	0	0	0	0	114.7	S743 A748 F749	S743-S745 PolarHBondContact O-N 3.14Å; S743-S745 PolarHBondContact OG-OG 3.01Å; S745-A748 PolarHBondContact O-N 3.19Å; S745-F749 PolarHBondContact O-N 3.4Å
746	S	64.9	Low	64.7	Low	36 Å²	36	63.9 Å²	63.9	25%	0.252	41%	0.406	S	S	.	.	H	α-helix	trans	-71.6	-37.4	-178.9	65.3	0	0	0	0	112.1	S742 S743 A750	S742-S746 PolarHBondContact OG-OG 3.44Å; S743-S746 PolarHBondContact O-N 3.04Å; S743-S746 PolarHBondContact O-OG 2.9Å; S746-A750 PolarHBondContact O-N 3.28Å
747	L	69.1	Low	65.6	Low	94 Å²	94	62 Å²	62	49%	0.492	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-46.9	172.9	-170.7	95.8	0	0	0	110.3	P738 F749 A750 V751	P738-L747 HydrophobicContact CB-CD1 3.91Å; L747-F749 VanDerWaalsContact C-N 3.28Å; L747-F749 PolarHBondContact O-N 3.47Å; L747-A750 PolarHBondContact O-N 3.12Å; L747-V751 VanDerWaalsContact O-CG2 3.3Å; L747-V751 WeakPolarHBondContact O-CG2 3.45Å; L747-V751 PolarHBondContact O-N 3.21Å
748	A	69.9	Low	66.6	Low	50 Å²	50	62.3 Å²	62.3	41%	0.413	40%	0.399	S	S	.	.	H	α-helix	trans	-59.8	-37.4	179	0	0	0	0	0	112.8	S744 S745 S752	S744-A748 WeakPolarHBondContact O-CB 3.2Å; S744-A748 PolarHBondContact O-N 3.47Å; S744-A748 VanDerWaalsContact O-N 3.16Å; S745-A748 PolarHBondContact O-N 3.19Å; A748-S752 WeakPolarHBondContact O-CB 3.27Å; A748-S752 PolarHBondContact O-N 3.18Å; A748-S752 PolarHBondContact O-OG 2.8Å
749	F	75.9	Confident	68	Low	48 Å²	48	64.2 Å²	64.2	21%	0.211	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-50.7	175.2	178.4	-100.2	0	0	0	112.1	I719 P722 P723 P736 S745 L747 V751 S752 L753	I719-F749 WeakPolarHBondContact O-CE2 3.24Å; I719-F749 WeakPolarHBondContact O-CZ 3.4Å; P722-F749 HydrophobicContact CB-CD2 4.45Å; P722-F749 HydrophobicContact CB-CE2 4.29Å; P722-F749 HydrophobicContact CG-CD2 4.41Å; P722-F749 HydrophobicContact CG-CE2 4.03Å; P723-F749 HydrophobicContact CG-CE1 3.87Å; P723-F749 HydrophobicContact CG-CZ 3.83Å; P736-F749 HydrophobicContact CB-CD1 4.35Å; P736-F749 HydrophobicContact CB-CE1 4.09Å; P736-F749 HydrophobicContact CG-CE1 4.26Å; S745-F749 PolarHBondContact O-N 3.4Å; L747-F749 VanDerWaalsContact C-N 3.28Å; L747-F749 PolarHBondContact O-N 3.47Å; F749-V751 VanDerWaalsContact C-N 3.32Å; F749-V751 PolarHBondContact O-N 3.04Å; F749-S752 PolarHBondContact O-N 3.39Å; F749-L753 HydrophobicContact CE1-CD1 4.48Å; F749-L753 HydrophobicContact CZ-CD1 4.29Å; F749-L753 PolarHBondContact O-N 2.89Å
750	A	72.6	Confident	69.8	Low	20 Å²	20	63.2 Å²	63.2	17%	0.165	40%	0.399	C	S	.	.	H	α-helix	trans	-60.5	-40.7	179.2	0	0	0	0	0	112.2	S746 L747 L753 V754	S746-A750 PolarHBondContact O-N 3.28Å; L747-A750 PolarHBondContact O-N 3.12Å; A750-L753 PolarHBondContact O-N 3.06Å; A750-V754 WeakPolarHBondContact O-CG2 3.43Å; A750-V754 PolarHBondContact O-N 3.22Å; A750-V754 VanDerWaalsContact O-N 3.17Å
751	V	73.5	Confident	71.7	Confident	42 Å²	42	58 Å²	58	26%	0.255	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-45.5	176.6	174	0	0	0	0	111.7	L747 F749 L753 V754 L755 L814	L747-V751 VanDerWaalsContact O-CG2 3.3Å; L747-V751 WeakPolarHBondContact O-CG2 3.45Å; L747-V751 PolarHBondContact O-N 3.21Å; F749-V751 VanDerWaalsContact C-N 3.32Å; F749-V751 PolarHBondContact O-N 3.04Å; V751-L753 VanDerWaalsContact C-N 3.26Å; V751-L753 PolarHBondContact O-N 2.8Å; V751-V754 PolarHBondContact O-N 2.98Å; V751-L755 HydrophobicContact CG1-CD1 4Å; V751-L755 HydrophobicContact CG1-CG 4.43Å; V751-L755 WeakPolarHBondContact O-CG 3.13Å; V751-L755 PolarHBondContact O-N 3.01Å; V751-L814 HydrophobicContact CG2-CD1 4.27Å; V751-L814 HydrophobicContact CG2-CD2 3.29Å; V751-L814 HydrophobicContact CG2-CG 4.32Å
752	S	76.9	Confident	73.7	Confident	73 Å²	73	57.9 Å²	57.9	51%	0.51	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-38.2	-179.4	-60.1	0	0	0	0	111.2	A748 F749 F756	A748-S752 WeakPolarHBondContact O-CB 3.27Å; A748-S752 PolarHBondContact O-N 3.18Å; A748-S752 PolarHBondContact O-OG 2.8Å; F749-S752 PolarHBondContact O-N 3.39Å; S752-F756 WeakPolarHBondContact O-CB 3.39Å; S752-F756 PolarHBondContact O-N 2.84Å
753	L	78.9	Confident	75.7	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.199	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-48.5	176.5	-164.8	120.4	0	0	0	111.9	V662 Q666 I719 F749 A750 V751 L755 F756 D757	V662-L753 HydrophobicContact CG1-CD1 4.04Å; Q666-L753 HydrophobicContact CG-CD1 4.2Å; I719-L753 HydrophobicContact CG2-CD1 3.81Å; F749-L753 HydrophobicContact CE1-CD1 4.48Å; F749-L753 HydrophobicContact CZ-CD1 4.29Å; F749-L753 PolarHBondContact O-N 2.89Å; A750-L753 PolarHBondContact O-N 3.06Å; V751-L753 VanDerWaalsContact C-N 3.26Å; V751-L753 PolarHBondContact O-N 2.8Å; L753-L755 VanDerWaalsContact C-N 3.34Å; L753-L755 PolarHBondContact O-N 3.48Å; L753-F756 PolarHBondContact O-N 3.1Å; L753-D757 PolarHBondContact O-N 2.95Å
754	V	77.8	Confident	77.2	Confident	24 Å²	24	54.9 Å²	54.9	15%	0.145	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-40.1	179.2	173.8	0	0	0	0	112	A750 V751 S758	A750-V754 WeakPolarHBondContact O-CG2 3.43Å; A750-V754 PolarHBondContact O-N 3.22Å; A750-V754 VanDerWaalsContact O-N 3.17Å; V751-V754 PolarHBondContact O-N 2.98Å; V754-S758 WeakPolarHBondContact O-CB 3.02Å; V754-S758 PolarHBondContact O-N 2.99Å; V754-S758 PolarHBondContact O-OG 3.07Å
755	L	81.1	Confident	78.3	Confident	115 Å²	115	53.3 Å²	53.3	60%	0.602	31%	0.312	S	S	*	.	H	α-helix	trans	-65.5	-40.2	176.1	-70.5	175	0	0	0	111.7	V751 L753 S758 L759	V751-L755 HydrophobicContact CG1-CD1 4Å; V751-L755 HydrophobicContact CG1-CG 4.43Å; V751-L755 WeakPolarHBondContact O-CG 3.13Å; V751-L755 PolarHBondContact O-N 3.01Å; L753-L755 VanDerWaalsContact C-N 3.34Å; L753-L755 PolarHBondContact O-N 3.48Å; L755-S758 PolarHBondContact O-N 2.97Å; L755-L759 PolarHBondContact O-N 2.77Å
756	F	83.9	Confident	79.2	Confident	74 Å²	74	54.1 Å²	54.1	33%	0.325	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-42.7	178.1	-158.2	-100.3	0	0	0	112.1	F670 L715 I719 S752 L753 S758 L759 C760	F670-F756 HydrophobicContact CD1-CE1 4.23Å; F670-F756 AromaticContact CE1-CD1 3.65Å; F670-F756 HydrophobicContact CE1-CD1 3.65Å; F670-F756 AromaticContact CE1-CE1 3.28Å; F670-F756 HydrophobicContact CE1-CE1 3.28Å; F670-F756 AromaticContact CZ-CD1 3.83Å; F670-F756 HydrophobicContact CZ-CD1 3.83Å; F670-F756 AromaticContact CZ-CE1 3.5Å; F670-F756 HydrophobicContact CZ-CE1 3.5Å; F670-F756 VanDerWaalsContact CZ-CE1 3.5Å; L715-F756 HydrophobicContact CD2-CE1 3.74Å; L715-F756 HydrophobicContact CD2-CZ 3.72Å; I719-F756 HydrophobicContact CD1-CD1 4.47Å; I719-F756 HydrophobicContact CD1-CE1 4.47Å; S752-F756 WeakPolarHBondContact O-CB 3.39Å; S752-F756 PolarHBondContact O-N 2.84Å; L753-F756 PolarHBondContact O-N 3.1Å; F756-S758 VanDerWaalsContact C-N 3.33Å; F756-S758 PolarHBondContact O-N 3.27Å; F756-L759 WeakPolarHBondContact O-CB 3.26Å; F756-L759 PolarHBondContact O-N 3.45Å; F756-C760 PolarHBondContact O-N 3.33Å; F756-C760 PolarHBondContact O-SG 3.22Å; F756-C760 VanDerWaalsContact O-SG 3.35Å
757	D	84.2	Confident	80	Confident	11 Å²	11	52.7 Å²	52.7	6%	0.059	30%	0.3	C	S	.	.	H	α-helix	trans	-61.5	-44.3	175.3	-71.1	-11.8	0	0	0	110.8	Q666 L669 L753 L759 C760 F761 Y803	Q666-D757 PolarHBondContact NE2-OD1 2.92Å; Q666-D757 PolarHBondContact NE2-OD2 2.91Å; Q666-D757 VanDerWaalsContact NE2-OD2 3.1Å; Q666-D757 PolarHBondContact OE1-OD1 3.48Å; Q666-D757 VanDerWaalsContact OE1-OD1 3.14Å; L669-D757 HydrophobicContact CD2-CB 3.85Å; L669-D757 VanDerWaalsContact CD2-OD1 3.27Å; L669-D757 WeakPolarHBondContact CD2-OD1 3.11Å; L753-D757 PolarHBondContact O-N 2.95Å; D757-L759 VanDerWaalsContact C-N 3.32Å; D757-L759 PolarHBondContact O-N 3.19Å; D757-C760 WeakPolarHBondContact O-CB 3.38Å; D757-C760 PolarHBondContact O-N 3.34Å; D757-C760 VanDerWaalsContact O-N 3.15Å; D757-F761 WeakPolarHBondContact O-CD2 3.1Å; D757-F761 PolarHBondContact O-N 3.45Å; D757-Y803 HydrophobicContact CB-CE2 4.45Å; D757-Y803 WeakPolarHBondContact CB-OH 3.16Å; D757-Y803 PolarHBondContact OD2-OH 3.48Å
758	S	83.3	Confident	80.2	Confident	54 Å²	54	49.8 Å²	49.8	38%	0.378	28%	0.283	S	S	.	.	H	α-helix	trans	-60.5	-40.6	177	-58.2	0	0	0	0	112.3	V754 L755 F756 F761 L762	V754-S758 WeakPolarHBondContact O-CB 3.02Å; V754-S758 PolarHBondContact O-N 2.99Å; V754-S758 PolarHBondContact O-OG 3.07Å; L755-S758 PolarHBondContact O-N 2.97Å; F756-S758 VanDerWaalsContact C-N 3.33Å; F756-S758 PolarHBondContact O-N 3.27Å; S758-F761 PolarHBondContact O-N 2.86Å; S758-L762 WeakPolarHBondContact O-CB 3.4Å; S758-L762 PolarHBondContact O-N 3.12Å
759	L	86.8	Confident	80.5	Confident	92 Å²	92	51.1 Å²	51.1	48%	0.482	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-43.2	174.6	-179.9	66	0	0	0	111.5	L755 F756 D757 L762 V763	L755-L759 PolarHBondContact O-N 2.77Å; F756-L759 WeakPolarHBondContact O-CB 3.26Å; F756-L759 PolarHBondContact O-N 3.45Å; D757-L759 VanDerWaalsContact C-N 3.32Å; D757-L759 PolarHBondContact O-N 3.19Å; L759-L762 WeakPolarHBondContact O-CB 3.11Å; L759-L762 PolarHBondContact O-N 3.16Å; L759-V763 WeakPolarHBondContact O-CG2 3.3Å; L759-V763 PolarHBondContact O-N 3.36Å
760	C	86.4	Confident	80.5	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-47	176.4	-71.2	0	0	0	0	111.5	L669 T673 F756 D757 L762 V763 M764	L669-C760 HydrophobicContact CD1-CB 4.47Å; L669-C760 HydrophobicContact CD2-CB 3.81Å; L669-C760 HydrophobicContact CG-CB 3.93Å; T673-C760 HydrophobicContact CG2-CB 3.57Å; F756-C760 PolarHBondContact O-N 3.33Å; F756-C760 PolarHBondContact O-SG 3.22Å; F756-C760 VanDerWaalsContact O-SG 3.35Å; D757-C760 WeakPolarHBondContact O-CB 3.38Å; D757-C760 PolarHBondContact O-N 3.34Å; D757-C760 VanDerWaalsContact O-N 3.15Å; C760-L762 VanDerWaalsContact C-N 3.34Å; C760-L762 PolarHBondContact O-N 2.98Å; C760-V763 PolarHBondContact O-N 3.09Å; C760-M764 WeakPolarHBondContact O-CG 3.18Å; C760-M764 PolarHBondContact O-N 3.49Å
761	F	83.7	Confident	80.6	Confident	27 Å²	27	56.5 Å²	56.5	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-62.2	-38.4	175.5	-77.8	-70.2	0	0	0	113	L669 D757 S758 M764 T765 Y803	L669-F761 HydrophobicContact CD1-CD2 4.25Å; L669-F761 HydrophobicContact CD1-CE1 3.99Å; L669-F761 HydrophobicContact CD1-CE2 3.67Å; L669-F761 HydrophobicContact CD1-CZ 3.52Å; L669-F761 HydrophobicContact CD2-CE2 4.21Å; D757-F761 WeakPolarHBondContact O-CD2 3.1Å; D757-F761 PolarHBondContact O-N 3.45Å; S758-F761 PolarHBondContact O-N 2.86Å; F761-M764 HydrophobicContact CB-CE 4.32Å; F761-M764 HydrophobicContact CD1-CE 3.32Å; F761-M764 HydrophobicContact CE1-CE 3.67Å; F761-M764 HydrophobicContact CG-CE 3.86Å; F761-M764 HydrophobicContact CZ-CE 4.45Å; F761-M764 PolarHBondContact O-N 3.49Å; F761-T765 WeakPolarHBondContact O-CB 3.23Å; F761-T765 PolarHBondContact O-N 2.83Å; F761-T765 PolarHBondContact O-OG1 3.09Å; F761-Y803 AromaticContact CD2-CD1 3.67Å; F761-Y803 HydrophobicContact CD2-CD1 3.67Å; F761-Y803 AromaticContact CD2-CE1 3.79Å; F761-Y803 HydrophobicContact CD2-CE1 3.79Å; F761-Y803 HydrophobicContact CD2-CG 4.18Å; F761-Y803 AromaticContact CE2-CD1 3.29Å; F761-Y803 HydrophobicContact CE2-CD1 3.29Å; F761-Y803 AromaticContact CE2-CD2 3.67Å; F761-Y803 HydrophobicContact CE2-CD2 3.67Å; F761-Y803 AromaticContact CE2-CE1 3.59Å; F761-Y803 HydrophobicContact CE2-CE1 3.59Å; F761-Y803 AromaticContact CE2-CE2 3.95Å; F761-Y803 HydrophobicContact CE2-CE2 3.95Å; F761-Y803 AromaticContact CE2-CG 3.34Å; F761-Y803 HydrophobicContact CE2-CG 3.34Å; F761-Y803 AromaticContact CE2-CZ 3.93Å; F761-Y803 AromaticContact CZ-CD1 3.93Å; F761-Y803 HydrophobicContact CZ-CD1 3.93Å; F761-Y803 AromaticContact CZ-CD2 3.99Å; F761-Y803 HydrophobicContact CZ-CD2 3.99Å; F761-Y803 AromaticContact CZ-CG 3.59Å; F761-Y803 HydrophobicContact CZ-CG 3.59Å
762	L	84.8	Confident	80.5	Confident	101 Å²	101	63.5 Å²	63.5	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-47.1	174.8	-176.6	70.2	0	0	0	111.5	S758 L759 C760 M764 T765 L766	S758-L762 WeakPolarHBondContact O-CB 3.4Å; S758-L762 PolarHBondContact O-N 3.12Å; L759-L762 WeakPolarHBondContact O-CB 3.11Å; L759-L762 PolarHBondContact O-N 3.16Å; C760-L762 VanDerWaalsContact C-N 3.34Å; C760-L762 PolarHBondContact O-N 2.98Å; L762-M764 PolarHBondContact O-N 3.35Å; L762-T765 PolarHBondContact O-N 2.97Å; L762-L766 HydrophobicContact CG-CD1 4.16Å; L762-L766 WeakPolarHBondContact O-CG 3.33Å; L762-L766 PolarHBondContact O-N 2.92Å
763	V	84.9	Confident	80.2	Confident	54 Å²	54	63.2 Å²	63.2	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-45.2	177.8	171.6	0	0	0	0	110.9	L677 L759 C760 L766 A767	L677-V763 HydrophobicContact CD1-CG1 4.4Å; L677-V763 HydrophobicContact CD2-CG1 4.16Å; L677-V763 HydrophobicContact CG-CG1 4.45Å; L759-V763 WeakPolarHBondContact O-CG2 3.3Å; L759-V763 PolarHBondContact O-N 3.36Å; C760-V763 PolarHBondContact O-N 3.09Å; V763-L766 PolarHBondContact O-N 3.08Å; V763-A767 WeakPolarHBondContact O-CB 3.3Å; V763-A767 PolarHBondContact O-N 2.81Å
764	M	82.7	Confident	79.7	Confident	6 Å²	6	66.4 Å²	66.4	3%	0.03	33%	0.332	C	S	.	.	H	α-helix	trans	-59.7	-47.2	176.1	-71.6	-174.7	-61.7	0	0	111.6	L669 L672 T673 A676 C760 F761 L762 L766 A767 Y768 L796	L669-M764 HydrophobicContact CD1-CE 3.62Å; L672-M764 HydrophobicContact CB-SD 3.86Å; T673-M764 HydrophobicContact CG2-CE 4.18Å; T673-M764 HydrophobicContact CG2-CG 3.67Å; T673-M764 HydrophobicContact CG2-SD 3.67Å; A676-M764 HydrophobicContact CB-CB 4.45Å; A676-M764 HydrophobicContact CB-CG 4.09Å; C760-M764 WeakPolarHBondContact O-CG 3.18Å; C760-M764 PolarHBondContact O-N 3.49Å; F761-M764 HydrophobicContact CB-CE 4.32Å; F761-M764 HydrophobicContact CD1-CE 3.32Å; F761-M764 HydrophobicContact CE1-CE 3.67Å; F761-M764 HydrophobicContact CG-CE 3.86Å; F761-M764 HydrophobicContact CZ-CE 4.45Å; F761-M764 PolarHBondContact O-N 3.49Å; L762-M764 PolarHBondContact O-N 3.35Å; M764-L766 PolarHBondContact O-N 3.23Å; M764-A767 PolarHBondContact O-N 2.95Å; M764-Y768 WeakPolarHBondContact O-CD2 3.46Å; M764-Y768 PolarHBondContact O-N 3.06Å; M764-L796 HydrophobicContact CB-CD2 4.1Å; M764-L796 HydrophobicContact CE-CD2 4.24Å; M764-L796 HydrophobicContact CG-CD2 4.07Å; M764-L796 HydrophobicContact SD-CD2 3.3Å; M764-L796 WeakPolarHBondContact SD-CD2 3.25Å
765	T	80.1	Confident	79	Confident	73 Å²	73	68.5 Å²	68.5	45%	0.448	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-44	-179.8	-55.3	0	0	0	0	111.5	F761 L762 Y768 T769	F761-T765 WeakPolarHBondContact O-CB 3.23Å; F761-T765 PolarHBondContact O-N 2.83Å; F761-T765 PolarHBondContact O-OG1 3.09Å; L762-T765 PolarHBondContact O-N 2.97Å; T765-Y768 PolarHBondContact O-N 3.25Å; T765-T769 WeakPolarHBondContact O-CB 3.46Å; T765-T769 PolarHBondContact O-N 2.95Å; T765-T769 PolarHBondContact O-OG1 2.91Å
766	L	82.9	Confident	77.9	Confident	94 Å²	94	67.6 Å²	67.6	49%	0.492	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-42.8	176.6	-71.6	171.9	0	0	0	112.2	L762 V763 M764 Y768 R770	L762-L766 HydrophobicContact CG-CD1 4.16Å; L762-L766 WeakPolarHBondContact O-CG 3.33Å; L762-L766 PolarHBondContact O-N 2.92Å; V763-L766 PolarHBondContact O-N 3.08Å; M764-L766 PolarHBondContact O-N 3.23Å; L766-Y768 VanDerWaalsContact C-N 3.34Å; L766-Y768 PolarHBondContact O-N 3.11Å; L766-R770 WeakPolarHBondContact O-CB 3.11Å; L766-R770 WeakPolarHBondContact O-CG 3.1Å; L766-R770 PolarHBondContact O-N 3.3Å
767	A	79.8	Confident	76.8	Confident	6 Å²	6	72.7 Å²	72.7	5%	0.05	38%	0.377	C	S	.	.	H	α-helix	trans	-60.9	-43	177.1	0	0	0	0	0	111.5	A676 L677 C680 V763 M764 R770 L771	A676-A767 HydrophobicContact CB-CB 4.3Å; L677-A767 HydrophobicContact CD2-CB 4.38Å; C680-A767 HydrophobicContact CB-CB 4.34Å; V763-A767 WeakPolarHBondContact O-CB 3.3Å; V763-A767 PolarHBondContact O-N 2.81Å; M764-A767 PolarHBondContact O-N 2.95Å; A767-R770 PolarHBondContact O-N 2.95Å; A767-L771 PolarHBondContact O-N 3.19Å
768	Y	74.2	Confident	75.4	Confident	33 Å²	33	74.8 Å²	74.8	13%	0.129	40%	0.395	C	S	.	.	H	α-helix	trans	-72.4	-40.8	178.8	-93.6	-89.7	0	0	0	113.9	A676 M764 T765 L766 R770 L771 Y772 V792 A793 L796	A676-Y768 HydrophobicContact CB-CD2 3.95Å; A676-Y768 HydrophobicContact CB-CE2 3.48Å; A676-Y768 VanDerWaalsContact CB-CE2 3.48Å; M764-Y768 WeakPolarHBondContact O-CD2 3.46Å; M764-Y768 PolarHBondContact O-N 3.06Å; T765-Y768 PolarHBondContact O-N 3.25Å; L766-Y768 VanDerWaalsContact C-N 3.34Å; L766-Y768 PolarHBondContact O-N 3.11Å; Y768-R770 PolarHBondContact O-N 3.32Å; Y768-L771 HydrophobicContact CD1-CD2 4.24Å; Y768-L771 HydrophobicContact CE1-CD2 3.97Å; Y768-L771 WeakPolarHBondContact O-CB 3.35Å; Y768-L771 PolarHBondContact O-N 3Å; Y768-L771 VanDerWaalsContact O-N 3.09Å; Y768-Y772 WeakPolarHBondContact O-CB 3.05Å; Y768-Y772 PolarHBondContact O-N 2.95Å; Y768-V792 WeakPolarHBondContact OH-CB 3.29Å; Y768-V792 WeakPolarHBondContact OH-CG1 3.39Å; Y768-A793 HydrophobicContact CD1-CB 4.36Å; Y768-A793 HydrophobicContact CE1-CB 3.96Å; Y768-L796 HydrophobicContact CD1-CD1 4.44Å; Y768-L796 HydrophobicContact CD2-CD1 3.36Å; Y768-L796 HydrophobicContact CE1-CD1 3.99Å; Y768-L796 HydrophobicContact CE2-CD1 2.8Å; Y768-L796 HydrophobicContact CE2-CG 4.27Å; Y768-L796 HydrophobicContact CG-CD1 4.15Å; Y768-L796 WeakPolarHBondContact OH-CD1 3.21Å
769	T	75.9	Confident	74	Confident	77 Å²	77	77.6 Å²	77.6	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-57.6	-41.8	174.2	-55.1	0	0	0	0	109.8	T765 C773	T765-T769 WeakPolarHBondContact O-CB 3.46Å; T765-T769 PolarHBondContact O-N 2.95Å; T765-T769 PolarHBondContact O-OG1 2.91Å; T769-C773 VanDerWaalsContact O-CB 3.28Å; T769-C773 WeakPolarHBondContact O-CB 3.3Å; T769-C773 PolarHBondContact O-N 3.22Å; T769-C773 PolarHBondContact O-SG 3.11Å
770	R	76.9	Confident	72.6	Confident	163 Å²	163	77.3 Å²	77.3	62%	0.615	42%	0.416	S	S	*	.	H	α-helix	trans	-65.2	-41.3	174	-74.1	-179.8	177.8	-176.3	1.3	113.1	L766 A767 Y768 R774	L766-R770 WeakPolarHBondContact O-CB 3.11Å; L766-R770 WeakPolarHBondContact O-CG 3.1Å; L766-R770 PolarHBondContact O-N 3.3Å; A767-R770 PolarHBondContact O-N 2.95Å; Y768-R770 PolarHBondContact O-N 3.32Å; R770-R774 WeakPolarHBondContact O-CB 3.47Å; R770-R774 VanDerWaalsContact O-CG 3.25Å; R770-R774 WeakPolarHBondContact O-CG 3.41Å; R770-R774 PolarHBondContact O-N 3.03Å; R770-R774 VanDerWaalsContact O-N 3.12Å
771	L	73.6	Confident	71	Confident	19 Å²	19	84.8 Å²	84.8	10%	0.099	46%	0.455	C	S	.	.	H	α-helix	trans	-62.2	-48	176.9	-168.5	83.5	0	0	0	111.4	A683 A767 Y768 R774 A775 T789	A683-L771 HydrophobicContact CB-CD1 3.66Å; A767-L771 PolarHBondContact O-N 3.19Å; Y768-L771 HydrophobicContact CD1-CD2 4.24Å; Y768-L771 HydrophobicContact CE1-CD2 3.97Å; Y768-L771 WeakPolarHBondContact O-CB 3.35Å; Y768-L771 PolarHBondContact O-N 3Å; Y768-L771 VanDerWaalsContact O-N 3.09Å; L771-R774 PolarHBondContact O-N 3.38Å; L771-A775 WeakPolarHBondContact O-CB 3.34Å; L771-A775 PolarHBondContact O-N 3.01Å; L771-T789 HydrophobicContact CD2-CG2 3.78Å
772	Y	70.8	Confident	69.9	Low	188 Å²	188	85.5 Å²	85.5	74%	0.737	46%	0.464	S	S	*	.	H	α-helix	trans	-64.8	-46.1	-180	-171.5	-97.1	0	0	0	112	Y768 R774 A775 S776	Y768-Y772 WeakPolarHBondContact O-CB 3.05Å; Y768-Y772 PolarHBondContact O-N 2.95Å; Y772-R774 PolarHBondContact O-N 3.25Å; Y772-A775 PolarHBondContact O-N 2.68Å; Y772-S776 PolarHBondContact O-N 3.04Å
773	C	71.9	Confident	68.8	Low	68 Å²	68	87.9 Å²	87.9	46%	0.459	48%	0.477	S	S	.	.	H	α-helix	trans	-59.3	-30	174.4	-73.5	0	0	0	0	112.7	T769 S776	T769-C773 VanDerWaalsContact O-CB 3.28Å; T769-C773 WeakPolarHBondContact O-CB 3.3Å; T769-C773 PolarHBondContact O-N 3.22Å; T769-C773 PolarHBondContact O-SG 3.11Å; C773-S776 PolarHBondContact O-OG 3.47Å
774	R	68.9	Low	67.6	Low	105 Å²	105	90.1 Å²	90.1	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-82.3	-38.4	176.2	-75.6	176.1	177.9	168.5	-2	113.2	R770 L771 Y772 S776 K777	R770-R774 WeakPolarHBondContact O-CB 3.47Å; R770-R774 VanDerWaalsContact O-CG 3.25Å; R770-R774 WeakPolarHBondContact O-CG 3.41Å; R770-R774 PolarHBondContact O-N 3.03Å; R770-R774 VanDerWaalsContact O-N 3.12Å; L771-R774 PolarHBondContact O-N 3.38Å; Y772-R774 PolarHBondContact O-N 3.25Å; R774-S776 PolarHBondContact O-N 3.06Å; R774-K777 PolarHBondContact O-N 2.91Å
775	A	62.2	Low	66.6	Low	67 Å²	67	94.1 Å²	94.1	55%	0.554	51%	0.508	S	S	*	.	H	α-helix	trans	-59.6	-30.3	176.4	0	0	0	0	0	112.2	L771 Y772 K777	L771-A775 WeakPolarHBondContact O-CB 3.34Å; L771-A775 PolarHBondContact O-N 3.01Å; Y772-A775 PolarHBondContact O-N 2.68Å; A775-K777 PolarHBondContact O-N 3.06Å
776	S	58.8	Low	66	Low	96 Å²	96	93.5 Å²	93.5	67%	0.671	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.9	172.7	73.5	0	0	0	0	114.8	Y772 C773 R774	Y772-S776 PolarHBondContact O-N 3.04Å; C773-S776 PolarHBondContact O-OG 3.47Å; R774-S776 PolarHBondContact O-N 3.06Å
777	K	59.8	Low	65.1	Low	182 Å²	182	90.1 Å²	90.1	79%	0.791	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-10.8	-172.9	-66.1	-175.8	-179.7	-177.4	0	114.9	R774 A775	R774-K777 PolarHBondContact O-N 2.91Å; A775-K777 PolarHBondContact O-N 3.06Å
778	A	54.5	Low	64.5	Low	54 Å²	54	91.3 Å²	91.3	45%	0.446	50%	0.495	S	S	.	.	S	Bend	trans	-155.9	131.7	175.4	0	0	0	0	0	111
779	P	54.8	Low	64.2	Low	113 Å²	113	92.1 Å²	92.1	73%	0.734	50%	0.504	S	S	*	.			trans	-71.7	146.7	176.8	28.6	-31.9	0	0	0	111.6
780	P	56.4	Low	63.9	Low	87 Å²	87	95 Å²	95	57%	0.565	51%	0.506	S	S	*	.			trans	-75.1	152.6	-177.6	27.5	-31.4	0	0	0	113.3	V786	P780-V786 HydrophobicContact CB-CG2 3.65Å; P780-V786 HydrophobicContact CG-CG2 3.18Å
781	N	53.7	Low	63.7	Low	167 Å²	167	87.4 Å²	87.4	89%	0.893	48%	0.478	S	S	*	.	S	Bend	trans	-92.6	-4.3	-171.2	-70.6	-17.7	0	0	0	115.4
782	S	60.7	Low	63.6	Low	43 Å²	43	86.8 Å²	86.8	30%	0.301	47%	0.474	S	S	.	.			trans	-150.2	143.5	176.3	82.4	0	0	0	0	111.9	D784 D785	S782-D784 PolarHBondContact O-N 2.98Å; S782-D785 PolarHBondContact O-N 3.23Å; S782-D785 WeakPolarHBondContact OG-CB 3.41Å; S782-D785 PolarHBondContact OG-N 3.34Å; S782-D785 PolarHBondContact OG-OD2 3.39Å
783	D	60.9	Low	63.6	Low	151 Å²	151	79.7 Å²	79.7	81%	0.807	46%	0.455	S	S	*	.	H	α-helix	trans	-65.2	-27.8	178.9	-77.4	-28.7	0	0	0	112.8	V786 A787	D783-V786 PolarHBondContact O-N 3.23Å; D783-A787 PolarHBondContact O-N 3.4Å
784	D	60.7	Low	63.7	Low	101 Å²	101	80.7 Å²	80.7	54%	0.54	45%	0.449	S	S	.	.	H	α-helix	trans	-69.7	-39.4	179.6	-69.6	-29.8	0	0	0	112.4	S782 V786 L788	S782-D784 PolarHBondContact O-N 2.98Å; D784-V786 VanDerWaalsContact C-N 3.3Å; D784-V786 PolarHBondContact O-N 3.35Å; D784-L788 WeakPolarHBondContact O-CB 3.42Å; D784-L788 PolarHBondContact O-N 2.77Å; D784-L788 VanDerWaalsContact O-N 3.13Å
785	D	61.9	Low	64	Low	89 Å²	89	76 Å²	76	48%	0.476	43%	0.432	S	S	.	.	H	α-helix	trans	-68.4	-30.6	178.5	-71.9	-39.2	0	0	0	112	S782 T789	S782-D785 PolarHBondContact O-N 3.23Å; S782-D785 WeakPolarHBondContact OG-CB 3.41Å; S782-D785 PolarHBondContact OG-N 3.34Å; S782-D785 PolarHBondContact OG-OD2 3.39Å; D785-T789 VanDerWaalsContact O-CB 3.27Å; D785-T789 WeakPolarHBondContact O-CB 3.48Å; D785-T789 PolarHBondContact O-N 2.9Å; D785-T789 PolarHBondContact O-OG1 3.22Å
786	V	66.1	Low	64.5	Low	61 Å²	61	73.7 Å²	73.7	37%	0.37	41%	0.41	S	S	.	.	H	α-helix	trans	-71.6	-46.7	177.6	-178.1	0	0	0	0	111.4	P780 D783 D784 L788 T789 R790	P780-V786 HydrophobicContact CB-CG2 3.65Å; P780-V786 HydrophobicContact CG-CG2 3.18Å; D783-V786 PolarHBondContact O-N 3.23Å; D784-V786 VanDerWaalsContact C-N 3.3Å; D784-V786 PolarHBondContact O-N 3.35Å; V786-L788 VanDerWaalsContact C-N 3.3Å; V786-L788 PolarHBondContact O-N 3.19Å; V786-T789 PolarHBondContact O-N 3.26Å; V786-R790 WeakPolarHBondContact O-CB 3.47Å; V786-R790 PolarHBondContact O-N 2.84Å
787	A	65.3	Low	65.4	Low	23 Å²	23	74.1 Å²	74.1	19%	0.19	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-43	177.9	0	0	0	0	0	111.2	D783 H791	D783-A787 PolarHBondContact O-N 3.4Å; A787-H791 WeakPolarHBondContact O-CB 3.19Å; A787-H791 PolarHBondContact O-N 3.27Å; A787-H791 VanDerWaalsContact O-N 3.07Å
788	L	66.2	Low	66.4	Low	30 Å²	30	66 Å²	66	16%	0.157	37%	0.367	C	S	.	.	H	α-helix	trans	-70.1	-39.7	-179.8	-168.3	65.7	0	0	0	112.1	P609 I613 R679 D784 V786 H791 V792	P609-L788 HydrophobicContact CB-CD2 3.88Å; P609-L788 HydrophobicContact CG-CD2 4.31Å; I613-L788 HydrophobicContact CD1-CD1 4.05Å; R679-L788 VanDerWaalsContact NH1-CD2 3.28Å; R679-L788 VanDerWaalsContact NH1-CG 3.34Å; D784-L788 WeakPolarHBondContact O-CB 3.42Å; D784-L788 PolarHBondContact O-N 2.77Å; D784-L788 VanDerWaalsContact O-N 3.13Å; V786-L788 VanDerWaalsContact C-N 3.3Å; V786-L788 PolarHBondContact O-N 3.19Å; L788-H791 PolarHBondContact O-N 3.39Å; L788-V792 WeakPolarHBondContact O-CG2 3.39Å; L788-V792 PolarHBondContact O-N 3.35Å; L788-V792 VanDerWaalsContact O-N 3.12Å
789	T	67.6	Low	67.6	Low	50 Å²	50	63.9 Å²	63.9	31%	0.307	35%	0.348	S	S	.	.	H	α-helix	trans	-66.2	-41.5	176.8	-58.8	0	0	0	0	112.1	L771 D785 V786 H791 V792 A793	L771-T789 HydrophobicContact CD2-CG2 3.78Å; D785-T789 VanDerWaalsContact O-CB 3.27Å; D785-T789 WeakPolarHBondContact O-CB 3.48Å; D785-T789 PolarHBondContact O-N 2.9Å; D785-T789 PolarHBondContact O-OG1 3.22Å; V786-T789 PolarHBondContact O-N 3.26Å; T789-H791 VanDerWaalsContact C-N 3.28Å; T789-H791 PolarHBondContact O-N 3.02Å; T789-V792 PolarHBondContact O-N 3.3Å; T789-A793 PolarHBondContact O-N 3.14Å; T789-A793 VanDerWaalsContact O-N 3.08Å
790	R	70.8	Confident	68.8	Low	139 Å²	139	60.9 Å²	60.9	53%	0.525	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-38.6	174	-175	174	65.2	-169.7	-2.1	111.5	V786 A793 W794	V786-R790 WeakPolarHBondContact O-CB 3.47Å; V786-R790 PolarHBondContact O-N 2.84Å; R790-A793 PolarHBondContact O-N 2.86Å; R790-W794 PolarHBondContact O-N 3.45Å; R790-W794 VanDerWaalsContact O-N 3.13Å
791	H	71.7	Confident	70	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.014	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-47.5	177.7	176.7	59.2	0	0	0	112.5	A787 L788 T789 A793 W794 L795 L843 Y844	A787-H791 WeakPolarHBondContact O-CB 3.19Å; A787-H791 PolarHBondContact O-N 3.27Å; A787-H791 VanDerWaalsContact O-N 3.07Å; L788-H791 PolarHBondContact O-N 3.39Å; T789-H791 VanDerWaalsContact C-N 3.28Å; T789-H791 PolarHBondContact O-N 3.02Å; H791-A793 VanDerWaalsContact C-N 3.31Å; H791-A793 PolarHBondContact O-N 3.38Å; H791-W794 PolarHBondContact O-N 3.03Å; H791-L795 VanDerWaalsContact NE2-CD1 3.32Å; H791-L795 WeakPolarHBondContact NE2-CD1 3.39Å; H791-L795 PolarHBondContact O-N 3.44Å; H791-L843 VanDerWaalsContact CE1-C 3.48Å; H791-Y844 AromaticContact CD2-CD2 3.81Å; H791-Y844 WeakPolarHBondContact CE1-CA 3.28Å; H791-Y844 PolarHBondContact CE1-N 3.38Å; H791-Y844 AromaticContact NE2-CD2 3.44Å; H791-Y844 WeakPolarHBondContact NE2-CD2 3.34Å
792	V	71	Confident	71.5	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-32.6	178.9	-163	0	0	0	0	111.9	A675 Y768 L788 T789 W794 L795 L796	A675-V792 HydrophobicContact CB-CG1 4.47Å; Y768-V792 WeakPolarHBondContact OH-CB 3.29Å; Y768-V792 WeakPolarHBondContact OH-CG1 3.39Å; L788-V792 WeakPolarHBondContact O-CG2 3.39Å; L788-V792 PolarHBondContact O-N 3.35Å; L788-V792 VanDerWaalsContact O-N 3.12Å; T789-V792 PolarHBondContact O-N 3.3Å; V792-W794 PolarHBondContact O-N 3.48Å; V792-L795 PolarHBondContact O-N 3.01Å; V792-L796 HydrophobicContact CG1-CD1 4.18Å; V792-L796 WeakPolarHBondContact O-CD1 3.34Å; V792-L796 PolarHBondContact O-N 3Å; V792-L796 VanDerWaalsContact O-N 3.16Å
793	A	71.4	Confident	72.5	Confident	40 Å²	40	53.5 Å²	53.5	33%	0.331	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-41.4	172.3	0	0	0	0	0	112.7	Y768 T789 R790 H791 F797	Y768-A793 HydrophobicContact CD1-CB 4.36Å; Y768-A793 HydrophobicContact CE1-CB 3.96Å; T789-A793 PolarHBondContact O-N 3.14Å; T789-A793 VanDerWaalsContact O-N 3.08Å; R790-A793 PolarHBondContact O-N 2.86Å; H791-A793 VanDerWaalsContact C-N 3.31Å; H791-A793 PolarHBondContact O-N 3.38Å; A793-F797 WeakPolarHBondContact O-CB 3.33Å; A793-F797 PolarHBondContact O-N 3.4Å
794	W	75	Confident	73.4	Confident	89 Å²	89	51.3 Å²	51.3	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-67.2	-40.6	175.7	-84.5	111.1	0	0	0	112.9	F4 R790 H791 V792 L796 F797 S798	F4-W794 AromaticContact CE1-CH2 3.99Å; F4-W794 HydrophobicContact CE1-CH2 3.99Å; F4-W794 AromaticContact CE1-CZ3 3.66Å; F4-W794 HydrophobicContact CE1-CZ3 3.66Å; F4-W794 HydrophobicContact CE2-CZ3 4.16Å; F4-W794 HydrophobicContact CZ-CE3 4.1Å; F4-W794 HydrophobicContact CZ-CH2 4.18Å; F4-W794 AromaticContact CZ-CZ3 3.43Å; F4-W794 HydrophobicContact CZ-CZ3 3.43Å; F4-W794 VanDerWaalsContact CZ-CZ3 3.43Å; R790-W794 PolarHBondContact O-N 3.45Å; R790-W794 VanDerWaalsContact O-N 3.13Å; H791-W794 PolarHBondContact O-N 3.03Å; V792-W794 PolarHBondContact O-N 3.48Å; W794-L796 VanDerWaalsContact C-N 3.3Å; W794-L796 PolarHBondContact O-N 2.99Å; W794-F797 AromaticContact CE3-CD1 4Å; W794-F797 HydrophobicContact CE3-CD1 4Å; W794-F797 AromaticContact CZ3-CD1 3.8Å; W794-F797 HydrophobicContact CZ3-CD1 3.8Å; W794-F797 HydrophobicContact CZ3-CE1 4.1Å; W794-F797 PolarHBondContact O-N 3.22Å; W794-S798 PolarHBondContact O-N 3.4Å; W794-S798 PolarHBondContact O-OG 2.94Å; W794-S798 VanDerWaalsContact O-OG 3.05Å
795	L	73.6	Confident	74.3	Confident	7 Å²	7	49 Å²	49	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-45.7	175.3	-74.9	174.2	0	0	0	111.7	H791 V792 S798 D799 N840 L843	H791-L795 VanDerWaalsContact NE2-CD1 3.32Å; H791-L795 WeakPolarHBondContact NE2-CD1 3.39Å; H791-L795 PolarHBondContact O-N 3.44Å; V792-L795 PolarHBondContact O-N 3.01Å; L795-S798 PolarHBondContact O-N 3.09Å; L795-S798 PolarHBondContact O-OG 3.28Å; L795-D799 WeakPolarHBondContact O-CB 3.34Å; L795-D799 PolarHBondContact O-N 3.32Å; L795-N840 HydrophobicContact CD2-CB 3.6Å; L795-N840 VanDerWaalsContact CD2-OD1 3.29Å; L795-N840 WeakPolarHBondContact CD2-OD1 3.19Å; L795-L843 HydrophobicContact CD2-CB 4.4Å; L795-L843 HydrophobicContact CD2-CD1 4.35Å
796	L	72.9	Confident	75	Confident	17 Å²	17	45.9 Å²	45.9	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-73.8	-35.4	-178.5	-74.9	158.5	0	0	0	113.2	L672 A676 M764 Y768 V792 W794 C800	L672-L796 HydrophobicContact CB-CD2 4.5Å; L672-L796 HydrophobicContact CD2-CD2 4.4Å; A676-L796 HydrophobicContact CB-CD1 4.35Å; M764-L796 HydrophobicContact CB-CD2 4.1Å; M764-L796 HydrophobicContact CE-CD2 4.24Å; M764-L796 HydrophobicContact CG-CD2 4.07Å; M764-L796 HydrophobicContact SD-CD2 3.3Å; M764-L796 WeakPolarHBondContact SD-CD2 3.25Å; Y768-L796 HydrophobicContact CD1-CD1 4.44Å; Y768-L796 HydrophobicContact CD2-CD1 3.36Å; Y768-L796 HydrophobicContact CE1-CD1 3.99Å; Y768-L796 HydrophobicContact CE2-CD1 2.8Å; Y768-L796 HydrophobicContact CE2-CG 4.27Å; Y768-L796 HydrophobicContact CG-CD1 4.15Å; Y768-L796 WeakPolarHBondContact OH-CD1 3.21Å; V792-L796 HydrophobicContact CG1-CD1 4.18Å; V792-L796 WeakPolarHBondContact O-CD1 3.34Å; V792-L796 PolarHBondContact O-N 3Å; V792-L796 VanDerWaalsContact O-N 3.16Å; W794-L796 VanDerWaalsContact C-N 3.3Å; W794-L796 PolarHBondContact O-N 2.99Å; L796-C800 WeakPolarHBondContact O-CB 3.31Å; L796-C800 PolarHBondContact O-N 3.13Å
797	F	78.2	Confident	75.4	Confident	105 Å²	105	44.3 Å²	44.3	46%	0.461	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-44.7	173.2	-178.5	-104.5	0	0	0	111.1	A793 W794 L801	A793-F797 WeakPolarHBondContact O-CB 3.33Å; A793-F797 PolarHBondContact O-N 3.4Å; W794-F797 AromaticContact CE3-CD1 4Å; W794-F797 HydrophobicContact CE3-CD1 4Å; W794-F797 AromaticContact CZ3-CD1 3.8Å; W794-F797 HydrophobicContact CZ3-CD1 3.8Å; W794-F797 HydrophobicContact CZ3-CE1 4.1Å; W794-F797 PolarHBondContact O-N 3.22Å; F797-L801 HydrophobicContact CD1-CD1 3.9Å; F797-L801 HydrophobicContact CE1-CD1 3.35Å; F797-L801 HydrophobicContact CE1-CG 4.34Å; F797-L801 HydrophobicContact CE2-CD1 4.17Å; F797-L801 HydrophobicContact CE2-CG 4.4Å; F797-L801 HydrophobicContact CZ-CD1 3.51Å; F797-L801 HydrophobicContact CZ-CG 4.21Å; F797-L801 WeakPolarHBondContact O-CB 3.19Å; F797-L801 WeakPolarHBondContact O-CG 3.41Å; F797-L801 PolarHBondContact O-N 3Å; F797-L801 VanDerWaalsContact O-N 3.09Å
798	S	81.4	Confident	75.9	Confident	13 Å²	13	48.8 Å²	48.8	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-45	176.5	53.8	0	0	0	0	112.2	W794 L795 C800 L801 L802 L843	W794-S798 PolarHBondContact O-N 3.4Å; W794-S798 PolarHBondContact O-OG 2.94Å; W794-S798 VanDerWaalsContact O-OG 3.05Å; L795-S798 PolarHBondContact O-N 3.09Å; L795-S798 PolarHBondContact O-OG 3.28Å; S798-C800 PolarHBondContact O-N 3.12Å; S798-L801 PolarHBondContact O-N 2.85Å; S798-L802 WeakPolarHBondContact O-CB 3.42Å; S798-L802 WeakPolarHBondContact O-CG 3.33Å; S798-L802 PolarHBondContact O-N 2.88Å; S798-L843 WeakPolarHBondContact OG-CD1 3.35Å
799	D	79.8	Confident	76.2	Confident	9 Å²	9	49 Å²	49	5%	0.048	25%	0.25	C	S	.	.	H	α-helix	trans	-68.1	-37.5	-178.3	-72.1	-12.6	0	0	0	112.1	L672 L795 L802 Y803 P836 N840	L672-D799 WeakPolarHBondContact CD1-OD2 3.45Å; L795-D799 WeakPolarHBondContact O-CB 3.34Å; L795-D799 PolarHBondContact O-N 3.32Å; D799-L802 PolarHBondContact O-N 3.22Å; D799-Y803 WeakPolarHBondContact O-CB 3.38Å; D799-Y803 PolarHBondContact O-N 3.25Å; D799-P836 WeakPolarHBondContact OD1-CB 3.46Å; D799-N840 VanDerWaalsContact CG-ND2 3.33Å; D799-N840 PolarHBondContact OD1-ND2 3Å; D799-N840 PolarHBondContact OD1-OD1 2.95Å; D799-N840 PolarHBondContact OD2-ND2 3.09Å
800	C	79.3	Confident	76.3	Confident	50 Å²	50	48.3 Å²	48.3	34%	0.338	25%	0.247	S	C	.	.	H	α-helix	trans	-64	-45.6	174.4	-176.3	0	0	0	0	111.5	L796 S798 L802 Y803 L804	L796-C800 WeakPolarHBondContact O-CB 3.31Å; L796-C800 PolarHBondContact O-N 3.13Å; S798-C800 PolarHBondContact O-N 3.12Å; C800-L802 PolarHBondContact O-N 3.36Å; C800-Y803 PolarHBondContact O-N 3.17Å; C800-L804 PolarHBondContact O-N 2.93Å
801	L	82.6	Confident	76.3	Confident	78 Å²	78	47.6 Å²	47.6	41%	0.408	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-41.5	177.1	-76.4	178.1	0	0	0	112.5	F797 S798 Y803 L804	F797-L801 HydrophobicContact CD1-CD1 3.9Å; F797-L801 HydrophobicContact CE1-CD1 3.35Å; F797-L801 HydrophobicContact CE1-CG 4.34Å; F797-L801 HydrophobicContact CE2-CD1 4.17Å; F797-L801 HydrophobicContact CE2-CG 4.4Å; F797-L801 HydrophobicContact CZ-CD1 3.51Å; F797-L801 HydrophobicContact CZ-CG 4.21Å; F797-L801 WeakPolarHBondContact O-CB 3.19Å; F797-L801 WeakPolarHBondContact O-CG 3.41Å; F797-L801 PolarHBondContact O-N 3Å; F797-L801 VanDerWaalsContact O-N 3.09Å; S798-L801 PolarHBondContact O-N 2.85Å; L801-Y803 VanDerWaalsContact C-N 3.29Å; L801-Y803 PolarHBondContact O-N 3.2Å; L801-L804 HydrophobicContact CD2-CD1 4.16Å; L801-L804 PolarHBondContact O-N 3.47Å
802	L	83.6	Confident	76.3	Confident	25 Å²	25	47.9 Å²	47.9	13%	0.131	25%	0.25	C	S	.	.	H	α-helix	trans	-72.3	-22.4	-179.5	-68.2	172.3	0	0	0	113.1	S798 D799 C800 P805 V832 L835 P836 V839	S798-L802 WeakPolarHBondContact O-CB 3.42Å; S798-L802 WeakPolarHBondContact O-CG 3.33Å; S798-L802 PolarHBondContact O-N 2.88Å; D799-L802 PolarHBondContact O-N 3.22Å; C800-L802 PolarHBondContact O-N 3.36Å; L802-P805 WeakPolarHBondContact O-CD 3.35Å; L802-V832 VanDerWaalsContact O-CG1 3.29Å; L802-V832 WeakPolarHBondContact O-CG1 3.42Å; L802-L835 HydrophobicContact CD1-CB 4.38Å; L802-L835 HydrophobicContact CD1-CD2 3.79Å; L802-L835 HydrophobicContact CD2-CD2 3.37Å; L802-L835 HydrophobicContact CG-CD2 4.23Å; L802-P836 HydrophobicContact CB-CG 4.19Å; L802-P836 HydrophobicContact CD1-CG 3.96Å; L802-V839 HydrophobicContact CD1-CG2 4.34Å
803	Y	81.8	Confident	76	Confident	39 Å²	39	51.3 Å²	51.3	15%	0.153	27%	0.274	C	S	.	.	H	α-helix	trans	-82.4	-22.7	176.7	-169.5	-103.9	0	0	0	113.5	D757 F761 D799 C800 L801 V806 A807	D757-Y803 HydrophobicContact CB-CE2 4.45Å; D757-Y803 WeakPolarHBondContact CB-OH 3.16Å; D757-Y803 PolarHBondContact OD2-OH 3.48Å; F761-Y803 AromaticContact CD2-CD1 3.67Å; F761-Y803 HydrophobicContact CD2-CD1 3.67Å; F761-Y803 AromaticContact CD2-CE1 3.79Å; F761-Y803 HydrophobicContact CD2-CE1 3.79Å; F761-Y803 HydrophobicContact CD2-CG 4.18Å; F761-Y803 AromaticContact CE2-CD1 3.29Å; F761-Y803 HydrophobicContact CE2-CD1 3.29Å; F761-Y803 AromaticContact CE2-CD2 3.67Å; F761-Y803 HydrophobicContact CE2-CD2 3.67Å; F761-Y803 AromaticContact CE2-CE1 3.59Å; F761-Y803 HydrophobicContact CE2-CE1 3.59Å; F761-Y803 AromaticContact CE2-CE2 3.95Å; F761-Y803 HydrophobicContact CE2-CE2 3.95Å; F761-Y803 AromaticContact CE2-CG 3.34Å; F761-Y803 HydrophobicContact CE2-CG 3.34Å; F761-Y803 AromaticContact CE2-CZ 3.93Å; F761-Y803 AromaticContact CZ-CD1 3.93Å; F761-Y803 HydrophobicContact CZ-CD1 3.93Å; F761-Y803 AromaticContact CZ-CD2 3.99Å; F761-Y803 HydrophobicContact CZ-CD2 3.99Å; F761-Y803 AromaticContact CZ-CG 3.59Å; F761-Y803 HydrophobicContact CZ-CG 3.59Å; D799-Y803 WeakPolarHBondContact O-CB 3.38Å; D799-Y803 PolarHBondContact O-N 3.25Å; C800-Y803 PolarHBondContact O-N 3.17Å; L801-Y803 VanDerWaalsContact C-N 3.29Å; L801-Y803 PolarHBondContact O-N 3.2Å; Y803-V806 HydrophobicContact CD2-CB 4.3Å; Y803-V806 HydrophobicContact CE2-CB 4.41Å; Y803-V806 HydrophobicContact CE2-CG1 4.21Å; Y803-V806 WeakPolarHBondContact O-CB 3.21Å; Y803-V806 PolarHBondContact O-N 3.15Å; Y803-A807 HydrophobicContact CD1-CB 4.02Å; Y803-A807 HydrophobicContact CE1-CB 3.79Å; Y803-A807 PolarHBondContact O-N 2.83Å
804	L	80.4	Confident	75.6	Confident	104 Å²	104	53 Å²	53	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-53.3	-45.9	-179	-72.8	171.6	0	0	0	113.8	C800 L801 V806 A807 F808	C800-L804 PolarHBondContact O-N 2.93Å; L801-L804 HydrophobicContact CD2-CD1 4.16Å; L801-L804 PolarHBondContact O-N 3.47Å; L804-V806 VanDerWaalsContact C-N 3.34Å; L804-V806 PolarHBondContact O-N 3Å; L804-A807 PolarHBondContact O-N 3.42Å; L804-F808 WeakPolarHBondContact O-CB 3.39Å; L804-F808 PolarHBondContact O-N 3.12Å
805	P	80.3	Confident	75.1	Confident	52 Å²	52	53.4 Å²	53.4	34%	0.338	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-36.3	176.5	-22.3	34.8	0	0	0	113.4	L802 F808 L809 V828 V832	L802-P805 WeakPolarHBondContact O-CD 3.35Å; P805-F808 PolarHBondContact O-N 3.31Å; P805-L809 WeakPolarHBondContact O-CG 3.14Å; P805-L809 PolarHBondContact O-N 3.18Å; P805-V828 HydrophobicContact CB-CG1 4.39Å; P805-V832 HydrophobicContact CB-CG1 4.43Å; P805-V832 HydrophobicContact CG-CG1 4.35Å
806	V	75.9	Confident	74.6	Confident	25 Å²	25	64.2 Å²	64.2	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-68.5	-44	179.3	-177.7	0	0	0	0	110.5	Y803 L804 S810 V828 V832	Y803-V806 HydrophobicContact CD2-CB 4.3Å; Y803-V806 HydrophobicContact CE2-CB 4.41Å; Y803-V806 HydrophobicContact CE2-CG1 4.21Å; Y803-V806 WeakPolarHBondContact O-CB 3.21Å; Y803-V806 PolarHBondContact O-N 3.15Å; L804-V806 VanDerWaalsContact C-N 3.34Å; L804-V806 PolarHBondContact O-N 3Å; V806-S810 WeakPolarHBondContact O-CB 3.49Å; V806-S810 PolarHBondContact O-N 3.19Å; V806-S810 PolarHBondContact O-OG 3.25Å; V806-V828 HydrophobicContact CG2-CG1 3.82Å; V806-V832 HydrophobicContact CG2-CG1 4.29Å
807	A	74.5	Confident	74.2	Confident	27 Å²	27	67.9 Å²	67.9	22%	0.223	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-43.3	175.4	0	0	0	0	0	111.8	Y803 L804 S810 F811	Y803-A807 HydrophobicContact CD1-CB 4.02Å; Y803-A807 HydrophobicContact CE1-CB 3.79Å; Y803-A807 PolarHBondContact O-N 2.83Å; L804-A807 PolarHBondContact O-N 3.42Å; A807-S810 PolarHBondContact O-N 3.39Å; A807-F811 WeakPolarHBondContact O-CB 3.34Å; A807-F811 PolarHBondContact O-N 3.17Å
808	F	76.9	Confident	73.1	Confident	118 Å²	118	69.4 Å²	69.4	52%	0.518	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-46.5	178	177.8	-98.6	0	0	0	112.4	L804 P805 F811 S812 A819	L804-F808 WeakPolarHBondContact O-CB 3.39Å; L804-F808 PolarHBondContact O-N 3.12Å; P805-F808 PolarHBondContact O-N 3.31Å; F808-F811 PolarHBondContact O-N 3.44Å; F808-S812 VanDerWaalsContact O-CB 3.26Å; F808-S812 WeakPolarHBondContact O-CB 3.44Å; F808-S812 PolarHBondContact O-N 3.14Å; F808-S812 PolarHBondContact O-OG 2.94Å; F808-A819 HydrophobicContact CE1-CB 3.84Å; F808-A819 HydrophobicContact CZ-CB 3.8Å
809	L	72.6	Confident	71.7	Confident	34 Å²	34	70.6 Å²	70.6	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-63.7	-42.6	176.4	-75.1	-174.5	0	0	0	112.3	P805 F811 S812 S813 A820 A825 V828	P805-L809 WeakPolarHBondContact O-CG 3.14Å; P805-L809 PolarHBondContact O-N 3.18Å; L809-F811 PolarHBondContact O-N 3.16Å; L809-S812 PolarHBondContact O-N 3.09Å; L809-S813 WeakPolarHBondContact O-CB 3.29Å; L809-S813 PolarHBondContact O-N 3.11Å; L809-A820 HydrophobicContact CD2-CB 3.48Å; L809-A820 VanDerWaalsContact CD2-CB 3.48Å; L809-A825 HydrophobicContact CD1-CB 4.3Å; L809-V828 HydrophobicContact CD1-CB 3.45Å; L809-V828 VanDerWaalsContact CD1-CB 3.45Å; L809-V828 HydrophobicContact CD1-CG1 3.66Å; L809-V828 HydrophobicContact CD1-CG2 3.56Å
810	S	69.1	Low	70.8	Confident	35 Å²	35	72.3 Å²	72.3	25%	0.245	39%	0.392	C	S	.	.	H	α-helix	trans	-63.4	-42.1	179.6	-57.7	0	0	0	0	111.6	V806 A807 L814	V806-S810 WeakPolarHBondContact O-CB 3.49Å; V806-S810 PolarHBondContact O-N 3.19Å; V806-S810 PolarHBondContact O-OG 3.25Å; A807-S810 PolarHBondContact O-N 3.39Å; S810-L814 WeakPolarHBondContact O-CG 3.2Å; S810-L814 PolarHBondContact O-N 3.38Å
811	F	70.5	Confident	70.1	Confident	125 Å²	125	72.1 Å²	72.1	55%	0.548	40%	0.399	S	S	.	.	H	α-helix	trans	-73.1	-36.6	177.7	-164.2	-105.8	0	0	0	112.7	A807 F808 L809 L814 L815	A807-F811 WeakPolarHBondContact O-CB 3.34Å; A807-F811 PolarHBondContact O-N 3.17Å; F808-F811 PolarHBondContact O-N 3.44Å; L809-F811 PolarHBondContact O-N 3.16Å; F811-L814 WeakPolarHBondContact O-CB 3.48Å; F811-L814 PolarHBondContact O-N 2.99Å; F811-L815 HydrophobicContact CD1-CD1 3.67Å; F811-L815 HydrophobicContact CD1-CG 4.31Å; F811-L815 HydrophobicContact CE1-CD1 3.19Å; F811-L815 HydrophobicContact CE1-CG 4.04Å; F811-L815 HydrophobicContact CZ-CD1 3.79Å; F811-L815 HydrophobicContact CZ-CG 4.3Å; F811-L815 PolarHBondContact O-N 3.11Å
812	S	70.9	Confident	69.5	Low	8 Å²	8	72 Å²	72	6%	0.056	40%	0.402	C	S	.	.	H	α-helix	trans	-65.3	-40.2	175	-60.4	0	0	0	0	111.8	F808 L809 L814 L815 R816 L817 A819	F808-S812 VanDerWaalsContact O-CB 3.26Å; F808-S812 WeakPolarHBondContact O-CB 3.44Å; F808-S812 PolarHBondContact O-N 3.14Å; F808-S812 PolarHBondContact O-OG 2.94Å; L809-S812 PolarHBondContact O-N 3.09Å; S812-L814 VanDerWaalsContact C-N 3.26Å; S812-L814 PolarHBondContact O-N 2.98Å; S812-L815 PolarHBondContact O-N 3.49Å; S812-R816 PolarHBondContact O-N 2.96Å; S812-R816 VanDerWaalsContact O-N 3.14Å; S812-L817 PolarHBondContact O-N 3.09Å; S812-A819 WeakPolarHBondContact OG-CB 3.36Å
813	S	64.7	Low	68.9	Low	77 Å²	77	76 Å²	76	54%	0.538	42%	0.42	S	S	.	.	H	α-helix	trans	-63.4	-31.2	172.9	-174	0	0	0	0	112.5	L809	L809-S813 WeakPolarHBondContact O-CB 3.29Å; L809-S813 PolarHBondContact O-N 3.11Å
814	L	63.6	Low	68.6	Low	77 Å²	77	76.5 Å²	76.5	40%	0.403	43%	0.433	S	S	.	.	H	α-helix	trans	-74.3	-40.3	177.2	-80.5	164.7	0	0	0	113	V751 S810 F811 S812 R816	V751-L814 HydrophobicContact CG2-CD1 4.27Å; V751-L814 HydrophobicContact CG2-CD2 3.29Å; V751-L814 HydrophobicContact CG2-CG 4.32Å; S810-L814 WeakPolarHBondContact O-CG 3.2Å; S810-L814 PolarHBondContact O-N 3.38Å; F811-L814 WeakPolarHBondContact O-CB 3.48Å; F811-L814 PolarHBondContact O-N 2.99Å; S812-L814 VanDerWaalsContact C-N 3.26Å; S812-L814 PolarHBondContact O-N 2.98Å; L814-R816 VanDerWaalsContact C-N 3.25Å; L814-R816 PolarHBondContact O-N 2.97Å
815	L	64.6	Low	68.4	Low	96 Å²	96	72.9 Å²	72.9	50%	0.503	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.8	178.9	-67.6	-179.8	0	0	0	113.6	F811 S812 L817	F811-L815 HydrophobicContact CD1-CD1 3.67Å; F811-L815 HydrophobicContact CD1-CG 4.31Å; F811-L815 HydrophobicContact CE1-CD1 3.19Å; F811-L815 HydrophobicContact CE1-CG 4.04Å; F811-L815 HydrophobicContact CZ-CD1 3.79Å; F811-L815 HydrophobicContact CZ-CG 4.3Å; F811-L815 PolarHBondContact O-N 3.11Å; S812-L815 PolarHBondContact O-N 3.49Å; L815-L817 HydrophobicContact CB-CD1 3.8Å; L815-L817 HydrophobicContact CB-CG 3.72Å; L815-L817 HydrophobicContact CD1-CD1 3.81Å; L815-L817 HydrophobicContact CG-CD1 4.49Å; L815-L817 PolarHBondContact O-N 3.45Å
816	R	62.5	Low	68.4	Low	234 Å²	234	70.5 Å²	70.5	88%	0.883	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	35.6	-172.6	-60.7	-175.8	178.7	179	-0.5	112.6	S812 L814	S812-R816 PolarHBondContact O-N 2.96Å; S812-R816 VanDerWaalsContact O-N 3.14Å; L814-R816 VanDerWaalsContact C-N 3.25Å; L814-R816 PolarHBondContact O-N 2.97Å
817	L	64.9	Low	68.7	Low	94 Å²	94	70.1 Å²	70.1	49%	0.492	40%	0.403	S	S	.	.			trans	-81.4	140.9	178.2	-67.5	171.2	0	0	0	110.1	S812 L815 A819	S812-L817 PolarHBondContact O-N 3.09Å; L815-L817 HydrophobicContact CB-CD1 3.8Å; L815-L817 HydrophobicContact CB-CG 3.72Å; L815-L817 HydrophobicContact CD1-CD1 3.81Å; L815-L817 HydrophobicContact CG-CD1 4.49Å; L815-L817 PolarHBondContact O-N 3.45Å; L817-A819 PolarHBondContact O-N 3.46Å
818	P	55.5	Low	69.1	Low	137 Å²	137	70 Å²	70	89%	0.89	40%	0.4	S	S	*	.			trans	-78.2	47.6	-179.2	33.8	-36.1	0	0	0	112
819	A	52.5	Low	69.3	Low	38 Å²	38	66.1 Å²	66.1	31%	0.314	38%	0.384	S	S	.	.			trans	-86.5	-14.4	-164	0	0	0	0	0	114.8	F808 S812 L817	F808-A819 HydrophobicContact CE1-CB 3.84Å; F808-A819 HydrophobicContact CZ-CB 3.8Å; S812-A819 WeakPolarHBondContact OG-CB 3.36Å; L817-A819 PolarHBondContact O-N 3.46Å
820	A	59.4	Low	70	Confident	45 Å²	45	64.6 Å²	64.6	37%	0.372	38%	0.376	S	S	.	.	S	Bend	trans	-163.1	131	176.5	0	0	0	0	0	111.9	L809 A824	L809-A820 HydrophobicContact CD2-CB 3.48Å; L809-A820 VanDerWaalsContact CD2-CB 3.48Å; A820-A824 HydrophobicContact CB-CB 4.11Å
821	G	65.7	Low	70.9	Confident	47 Å²	47	65 Å²	65	49%	0.485	38%	0.375	S	S	.	.			trans	-60.1	156	172.4	0	0	0	0	0	112.3	E823 A824 A825	G821-E823 PolarHBondContact O-N 3.12Å; G821-E823 VanDerWaalsContact O-N 3.11Å; G821-A824 WeakPolarHBondContact O-CB 3.39Å; G821-A824 PolarHBondContact O-N 3.26Å; G821-A825 PolarHBondContact O-N 2.93Å
822	P	68.9	Low	71.7	Confident	75 Å²	75	60.7 Å²	60.7	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-68.4	-16.4	-169.2	30.9	-39.4	0	0	0	114.1	P563 F564 K826	P563-P822 HydrophobicContact CG-CB 3.44Å; P563-P822 VanDerWaalsContact CG-CB 3.44Å; P563-P822 HydrophobicContact CG-CG 3.69Å; F564-P822 HydrophobicContact CE2-CB 4.26Å; P822-K826 PolarHBondContact O-N 3.31Å
823	E	72.4	Confident	72.3	Confident	108 Å²	108	61.9 Å²	61.9	51%	0.505	37%	0.366	S	S	.	.	H	α-helix	trans	-71.5	-34.2	168.6	-69.4	-65.4	165.9	0	0	113.1	P563 G821 K826 G827	P563-E823 WeakPolarHBondContact CB-OE1 3.42Å; G821-E823 PolarHBondContact O-N 3.12Å; G821-E823 VanDerWaalsContact O-N 3.11Å; E823-K826 WeakPolarHBondContact O-CB 3.17Å; E823-K826 PolarHBondContact O-N 2.99Å; E823-G827 PolarHBondContact O-N 3.26Å
824	A	75.1	Confident	73.5	Confident	51 Å²	51	58.2 Å²	58.2	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-69.8	-39.2	175.2	0	0	0	0	0	110.8	A820 G821 K826 G827 V828	A820-A824 HydrophobicContact CB-CB 4.11Å; G821-A824 WeakPolarHBondContact O-CB 3.39Å; G821-A824 PolarHBondContact O-N 3.26Å; A824-K826 VanDerWaalsContact C-N 3.32Å; A824-K826 PolarHBondContact O-N 2.94Å; A824-G827 PolarHBondContact O-N 2.9Å; A824-V828 WeakPolarHBondContact O-CG2 3.09Å; A824-V828 PolarHBondContact O-N 3.45Å
825	A	75.6	Confident	74.7	Confident	27 Å²	27	57 Å²	57	22%	0.223	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-42.2	173.7	0	0	0	0	0	112.1	F564 L809 G821 G827 V828 L829	F564-A825 HydrophobicContact CE2-CB 4.37Å; F564-A825 HydrophobicContact CZ-CB 3.91Å; L809-A825 HydrophobicContact CD1-CB 4.3Å; G821-A825 PolarHBondContact O-N 2.93Å; A825-G827 PolarHBondContact O-N 2.92Å; A825-V828 PolarHBondContact O-N 2.9Å; A825-L829 WeakPolarHBondContact O-CB 3.29Å; A825-L829 PolarHBondContact O-N 3.07Å
826	K	80.1	Confident	75.8	Confident	3 Å²	3	53.8 Å²	53.8	1%	0.013	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-43.3	173.1	-178.6	176.9	179.6	160.6	0	112.3	P563 F564 L570 L571 I576 F733 P822 E823 A824 L830	P563-K826 HydrophobicContact CB-CD 4.44Å; P563-K826 PolarHBondContact O-NZ 3.35Å; F564-K826 HydrophobicContact CE1-CB 4.31Å; F564-K826 HydrophobicContact CZ-CB 4.26Å; L570-K826 PolarHBondContact O-NZ 2.96Å; L571-K826 WeakPolarHBondContact O-CE 3.45Å; L571-K826 PolarHBondContact O-NZ 2.94Å; I576-K826 HydrophobicContact CD1-CD 4.39Å; I576-K826 HydrophobicContact CD1-CG 4.2Å; F733-K826 HydrophobicContact CE2-CD 4.3Å; F733-K826 HydrophobicContact CE2-CG 4.33Å; F733-K826 HydrophobicContact CZ-CD 4.18Å; F733-K826 VanDerWaalsContact CZ-CE 3.4Å; F733-K826 HydrophobicContact CZ-CG 4.4Å; P822-K826 PolarHBondContact O-N 3.31Å; E823-K826 WeakPolarHBondContact O-CB 3.17Å; E823-K826 PolarHBondContact O-N 2.99Å; A824-K826 VanDerWaalsContact C-N 3.32Å; A824-K826 PolarHBondContact O-N 2.94Å; K826-L830 HydrophobicContact CG-CD1 3.8Å; K826-L830 WeakPolarHBondContact O-CB 3.19Å; K826-L830 WeakPolarHBondContact O-CG 3.23Å; K826-L830 PolarHBondContact O-N 3.3Å; K826-L830 VanDerWaalsContact O-N 3.11Å
827	G	83.3	Confident	77	Confident	16 Å²	16	42.8 Å²	42.8	17%	0.165	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-47.3	176.1	0	0	0	0	0	113.3	E823 A824 A825 L829 L830 L831	E823-G827 PolarHBondContact O-N 3.26Å; A824-G827 PolarHBondContact O-N 2.9Å; A825-G827 PolarHBondContact O-N 2.92Å; G827-L829 PolarHBondContact O-N 3.46Å; G827-L830 PolarHBondContact O-N 3.17Å; G827-L831 VanDerWaalsContact O-CB 3.27Å; G827-L831 WeakPolarHBondContact O-CB 3.47Å; G827-L831 PolarHBondContact O-N 3.27Å
828	V	83	Confident	78.1	Confident	26 Å²	26	38.9 Å²	38.9	16%	0.158	26%	0.258	C	S	.	.	I	π-helix	trans	-62.1	-44.7	178.6	173.2	0	0	0	0	111.1	P805 V806 L809 A824 A825 L830 V832 T833	P805-V828 HydrophobicContact CB-CG1 4.39Å; V806-V828 HydrophobicContact CG2-CG1 3.82Å; L809-V828 HydrophobicContact CD1-CB 3.45Å; L809-V828 VanDerWaalsContact CD1-CB 3.45Å; L809-V828 HydrophobicContact CD1-CG1 3.66Å; L809-V828 HydrophobicContact CD1-CG2 3.56Å; A824-V828 WeakPolarHBondContact O-CG2 3.09Å; A824-V828 PolarHBondContact O-N 3.45Å; A825-V828 PolarHBondContact O-N 2.9Å; V828-L830 PolarHBondContact O-N 3.17Å; V828-V832 HydrophobicContact CB-CG2 4.46Å; V828-V832 HydrophobicContact CG1-CB 4.06Å; V828-V832 HydrophobicContact CG1-CG2 4.4Å; V828-V832 HydrophobicContact CG2-CG2 4.37Å; V828-V832 WeakPolarHBondContact O-CA 3.12Å; V828-V832 VanDerWaalsContact O-CB 3.32Å; V828-V832 WeakPolarHBondContact O-CB 3.34Å; V828-V832 PolarHBondContact O-N 3.2Å; V828-T833 PolarHBondContact O-N 2.91Å; V828-T833 PolarHBondContact O-OG1 2.83Å
829	L	80.8	Confident	79.6	Confident	36 Å²	36	33.8 Å²	33.8	19%	0.188	23%	0.225	C	C	.	.	I	π-helix	trans	-66.8	-35.6	-177.5	-169.9	58.7	0	0	0	113.5	F564 L735 L737 A825 G827 T833	F564-L829 HydrophobicContact CE1-CD2 4.28Å; L735-L829 HydrophobicContact CB-CD2 4.5Å; L735-L829 HydrophobicContact CD1-CD1 4.02Å; L735-L829 HydrophobicContact CD1-CD2 3.23Å; L735-L829 HydrophobicContact CD1-CG 3.49Å; L735-L829 VanDerWaalsContact CD1-CG 3.49Å; L735-L829 HydrophobicContact CG-CD2 4.45Å; L737-L829 HydrophobicContact CD1-CD2 3.97Å; L737-L829 HydrophobicContact CD2-CD2 4.05Å; L737-L829 HydrophobicContact CG-CD2 4.36Å; A825-L829 WeakPolarHBondContact O-CB 3.29Å; A825-L829 PolarHBondContact O-N 3.07Å; G827-L829 PolarHBondContact O-N 3.46Å; L829-T833 WeakPolarHBondContact O-CB 3.33Å
830	L	86.8	Confident	81.2	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	21%	0.211	C	C	.	.	I	π-helix	trans	-95	-21.2	-176.1	-64.9	174.1	0	0	0	114.2	L571 I576 V580 W626 L630 F733 K826 G827 V828 P834	L571-L830 HydrophobicContact CD2-CD1 3.73Å; I576-L830 HydrophobicContact CG2-CB 4.15Å; I576-L830 HydrophobicContact CG2-CD1 3.9Å; V580-L830 HydrophobicContact CG2-CB 4.24Å; W626-L830 HydrophobicContact CH2-CD2 4.12Å; W626-L830 HydrophobicContact CZ2-CD2 4.44Å; L630-L830 HydrophobicContact CD1-CD2 3.85Å; F733-L830 HydrophobicContact CD1-CD1 4.36Å; F733-L830 HydrophobicContact CD1-CD2 4.27Å; F733-L830 HydrophobicContact CE1-CD1 3.98Å; F733-L830 HydrophobicContact CZ-CD1 4.21Å; K826-L830 HydrophobicContact CG-CD1 3.8Å; K826-L830 WeakPolarHBondContact O-CB 3.19Å; K826-L830 WeakPolarHBondContact O-CG 3.23Å; K826-L830 PolarHBondContact O-N 3.3Å; K826-L830 VanDerWaalsContact O-N 3.11Å; G827-L830 PolarHBondContact O-N 3.17Å; V828-L830 PolarHBondContact O-N 3.17Å; L830-P834 VanDerWaalsContact O-CG 3.3Å; L830-P834 WeakPolarHBondContact O-CG 3.46Å
831	L	88.3	Confident	82.4	Confident	42 Å²	42	30.3 Å²	30.3	22%	0.22	20%	0.195	C	C	.	.	I	π-helix	trans	-115.8	-42.4	-177.3	-59.7	177.5	0	0	0	113.5	I576 V580 I583 G827	I576-L831 HydrophobicContact CG1-CD1 4.35Å; V580-L831 HydrophobicContact CG2-CD2 4.04Å; I583-L831 HydrophobicContact CD1-CB 4.4Å; I583-L831 HydrophobicContact CD1-CD2 4Å; I583-L831 WeakPolarHBondContact CD1-O 3.37Å; G827-L831 VanDerWaalsContact O-CB 3.27Å; G827-L831 WeakPolarHBondContact O-CB 3.47Å; G827-L831 PolarHBondContact O-N 3.27Å
832	V	87	Confident	83.3	Confident	35 Å²	35	31.3 Å²	31.3	21%	0.212	19%	0.189	C	C	.	.	I	π-helix	trans	-82.8	-45.7	-174.7	-179.1	0	0	0	0	110.9	L802 P805 V806 V828 L835 P836	L802-V832 VanDerWaalsContact O-CG1 3.29Å; L802-V832 WeakPolarHBondContact O-CG1 3.42Å; P805-V832 HydrophobicContact CB-CG1 4.43Å; P805-V832 HydrophobicContact CG-CG1 4.35Å; V806-V832 HydrophobicContact CG2-CG1 4.29Å; V828-V832 HydrophobicContact CB-CG2 4.46Å; V828-V832 HydrophobicContact CG1-CB 4.06Å; V828-V832 HydrophobicContact CG1-CG2 4.4Å; V828-V832 HydrophobicContact CG2-CG2 4.37Å; V828-V832 WeakPolarHBondContact O-CA 3.12Å; V828-V832 VanDerWaalsContact O-CB 3.32Å; V828-V832 WeakPolarHBondContact O-CB 3.34Å; V828-V832 PolarHBondContact O-N 3.2Å; V832-L835 VanDerWaalsContact O-CB 3.23Å; V832-L835 WeakPolarHBondContact O-CB 3.42Å; V832-L835 PolarHBondContact O-N 3.44Å; V832-L835 VanDerWaalsContact O-N 3.09Å; V832-P836 WeakPolarHBondContact O-CD 3.42Å
833	T	83.9	Confident	83.9	Confident	33 Å²	33	28.4 Å²	28.4	20%	0.202	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-44.5	178.6	-54.7	0	0	0	0	114	V828 L829 P836	V828-T833 PolarHBondContact O-N 2.91Å; V828-T833 PolarHBondContact O-OG1 2.83Å; L829-T833 WeakPolarHBondContact O-CB 3.33Å; T833-P836 WeakPolarHBondContact O-CD 3.37Å
834	P	89.1	Confident	84.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.4	177.3	32.1	-35.9	0	0	0	114.4	I583 M623 W626 L830 A837	I583-P834 HydrophobicContact CD1-CG 4.16Å; I583-P834 HydrophobicContact CG2-CB 3.85Å; I583-P834 HydrophobicContact CG2-CG 4.03Å; M623-P834 HydrophobicContact CG-CB 3.77Å; M623-P834 HydrophobicContact SD-CB 4.11Å; W626-P834 HydrophobicContact CZ3-CB 4.3Å; W626-P834 HydrophobicContact CZ3-CG 4.3Å; L830-P834 VanDerWaalsContact O-CG 3.3Å; L830-P834 WeakPolarHBondContact O-CG 3.46Å; P834-A837 VanDerWaalsContact O-CB 3.32Å; P834-A837 WeakPolarHBondContact O-CB 3.32Å; P834-A837 PolarHBondContact O-N 3.09Å; P834-A837 VanDerWaalsContact O-N 3.13Å
835	L	88.8	Confident	84.3	Confident	53 Å²	53	22.2 Å²	22.2	28%	0.277	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-39.5	-176.9	-149.9	107.9	0	0	0	114.4	I583 L802 V832 A837 C838 V839	I583-L835 HydrophobicContact CD1-CD1 4.46Å; L802-L835 HydrophobicContact CD1-CB 4.38Å; L802-L835 HydrophobicContact CD1-CD2 3.79Å; L802-L835 HydrophobicContact CD2-CD2 3.37Å; L802-L835 HydrophobicContact CG-CD2 4.23Å; V832-L835 VanDerWaalsContact O-CB 3.23Å; V832-L835 WeakPolarHBondContact O-CB 3.42Å; V832-L835 PolarHBondContact O-N 3.44Å; V832-L835 VanDerWaalsContact O-N 3.09Å; L835-A837 PolarHBondContact O-N 3.4Å; L835-C838 WeakPolarHBondContact O-CB 3.5Å; L835-C838 PolarHBondContact O-N 3.48Å; L835-V839 HydrophobicContact CD2-CG2 3.88Å; L835-V839 HydrophobicContact CG-CG2 4.38Å; L835-V839 PolarHBondContact O-N 3.34Å; L835-V839 VanDerWaalsContact O-N 3.09Å
836	P	87.6	Confident	84.3	Confident	27 Å²	27	25.6 Å²	25.6	18%	0.175	15%	0.146	C	C	.	.	H	α-helix	trans	-52.2	-36	173.1	-31.9	39.2	0	0	0	113.8	D799 L802 V832 T833 C838 V839 N840	D799-P836 WeakPolarHBondContact OD1-CB 3.46Å; L802-P836 HydrophobicContact CB-CG 4.19Å; L802-P836 HydrophobicContact CD1-CG 3.96Å; V832-P836 WeakPolarHBondContact O-CD 3.42Å; T833-P836 WeakPolarHBondContact O-CD 3.37Å; P836-C838 PolarHBondContact O-N 3.06Å; P836-C838 VanDerWaalsContact O-N 3.16Å; P836-V839 PolarHBondContact O-N 3.03Å; P836-N840 VanDerWaalsContact O-CB 3.25Å; P836-N840 WeakPolarHBondContact O-CB 3.35Å; P836-N840 VanDerWaalsContact O-CG 3.27Å; P836-N840 PolarHBondContact O-N 2.96Å; P836-N840 PolarHBondContact O-ND2 3.34Å
837	A	87.8	Confident	83.8	Confident	3 Å²	3	29.5 Å²	29.5	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-21.6	178.6	0	0	0	0	0	113	N591 N620 M623 P834 L835 P841	N591-A837 PolarHBondContact ND2-O 3.02Å; N620-A837 HydrophobicContact CB-CB 3.87Å; M623-A837 HydrophobicContact CB-CB 3.97Å; M623-A837 HydrophobicContact CG-CB 4.05Å; P834-A837 VanDerWaalsContact O-CB 3.32Å; P834-A837 WeakPolarHBondContact O-CB 3.32Å; P834-A837 PolarHBondContact O-N 3.09Å; P834-A837 VanDerWaalsContact O-N 3.13Å; L835-A837 PolarHBondContact O-N 3.4Å; A837-P841 WeakPolarHBondContact O-CD 3.28Å; A837-P841 WeakPolarHBondContact O-CG 3.46Å
838	C	89.3	Confident	83.2	Confident	12 Å²	12	29.3 Å²	29.3	8%	0.081	16%	0.158	C	C	.	.	H	α-helix	trans	-90.5	-47.1	173.4	-59.4	0	0	0	0	111.8	I583 T586 L835 P836 P841 L842	I583-C838 PolarHBondContact O-SG 3.07Å; T586-C838 HydrophobicContact CG2-CB 4.14Å; L835-C838 WeakPolarHBondContact O-CB 3.5Å; L835-C838 PolarHBondContact O-N 3.48Å; P836-C838 PolarHBondContact O-N 3.06Å; P836-C838 VanDerWaalsContact O-N 3.16Å; C838-P841 WeakPolarHBondContact O-CD 3.25Å; C838-P841 WeakPolarHBondContact O-CG 3.48Å; C838-L842 WeakPolarHBondContact O-CD1 3.33Å; C838-L842 VanDerWaalsContact O-CG 3.25Å; C838-L842 WeakPolarHBondContact O-CG 3.41Å
839	V	87.4	Confident	82.3	Confident	30 Å²	30	32.3 Å²	32.3	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-69.4	-43.1	-171.5	176.5	0	0	0	0	111.5	L802 L835 P836 L842 L843	L802-V839 HydrophobicContact CD1-CG2 4.34Å; L835-V839 HydrophobicContact CD2-CG2 3.88Å; L835-V839 HydrophobicContact CG-CG2 4.38Å; L835-V839 PolarHBondContact O-N 3.34Å; L835-V839 VanDerWaalsContact O-N 3.09Å; P836-V839 PolarHBondContact O-N 3.03Å; V839-L842 PolarHBondContact O-N 3.37Å; V839-L843 HydrophobicContact CG1-CD1 3.69Å; V839-L843 HydrophobicContact CG1-CG 3.94Å; V839-L843 WeakPolarHBondContact O-CG 3.05Å; V839-L843 PolarHBondContact O-N 3.13Å
840	N	84.8	Confident	81.5	Confident	5 Å²	5	34.4 Å²	34.4	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-53.6	-175.3	-72.1	-12	0	0	0	114.6	L795 D799 P836 L842 L843 Y844	L795-N840 HydrophobicContact CD2-CB 3.6Å; L795-N840 VanDerWaalsContact CD2-OD1 3.29Å; L795-N840 WeakPolarHBondContact CD2-OD1 3.19Å; D799-N840 VanDerWaalsContact CG-ND2 3.33Å; D799-N840 PolarHBondContact OD1-ND2 3Å; D799-N840 PolarHBondContact OD1-OD1 2.95Å; D799-N840 PolarHBondContact OD2-ND2 3.09Å; P836-N840 VanDerWaalsContact O-CB 3.25Å; P836-N840 WeakPolarHBondContact O-CB 3.35Å; P836-N840 VanDerWaalsContact O-CG 3.27Å; P836-N840 PolarHBondContact O-N 2.96Å; P836-N840 PolarHBondContact O-ND2 3.34Å; N840-L842 VanDerWaalsContact C-N 3.32Å; N840-L842 PolarHBondContact O-N 2.95Å; N840-L843 PolarHBondContact O-N 3.13Å; N840-Y844 PolarHBondContact O-N 3.12Å
841	P	85.2	Confident	80.5	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.032	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-33.3	176.4	27.9	-38.8	0	0	0	112.8	S590 N591 V594 A837 C838 Y844 L845	S590-P841 WeakPolarHBondContact OG-CG 3.4Å; N591-P841 WeakPolarHBondContact OD1-CB 3.45Å; N591-P841 WeakPolarHBondContact OD1-CG 3.13Å; V594-P841 HydrophobicContact CG2-CB 3.83Å; A837-P841 WeakPolarHBondContact O-CD 3.28Å; A837-P841 WeakPolarHBondContact O-CG 3.46Å; C838-P841 WeakPolarHBondContact O-CD 3.25Å; C838-P841 WeakPolarHBondContact O-CG 3.48Å; P841-Y844 WeakPolarHBondContact O-CB 3.27Å; P841-Y844 PolarHBondContact O-N 3.36Å; P841-L845 WeakPolarHBondContact O-CG 3.36Å; P841-L845 PolarHBondContact O-N 3.23Å
842	L	84.1	Confident	79.6	Confident	69 Å²	69	38.6 Å²	38.6	36%	0.361	20%	0.202	S	C	.	.	H	α-helix	trans	-66.4	-42	176.9	-71.6	174.1	0	0	0	111.6	T586 C838 V839 N840 Y844 L845 L846	T586-L842 HydrophobicContact CG2-CD1 3.97Å; C838-L842 WeakPolarHBondContact O-CD1 3.33Å; C838-L842 VanDerWaalsContact O-CG 3.25Å; C838-L842 WeakPolarHBondContact O-CG 3.41Å; V839-L842 PolarHBondContact O-N 3.37Å; N840-L842 VanDerWaalsContact C-N 3.32Å; N840-L842 PolarHBondContact O-N 2.95Å; L842-Y844 PolarHBondContact O-N 3.12Å; L842-L845 PolarHBondContact O-N 3.35Å; L842-L846 VanDerWaalsContact O-CB 3.26Å; L842-L846 WeakPolarHBondContact O-CB 3.38Å; L842-L846 VanDerWaalsContact O-CG 3.27Å; L842-L846 WeakPolarHBondContact O-CG 3.4Å; L842-L846 PolarHBondContact O-N 3.45Å
843	L	81.1	Confident	78.6	Confident	13 Å²	13	39 Å²	39	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-36.4	173.6	-71.4	176.5	0	0	0	111.4	H791 L795 S798 V839 N840 F847	H791-L843 VanDerWaalsContact CE1-C 3.48Å; L795-L843 HydrophobicContact CD2-CB 4.4Å; L795-L843 HydrophobicContact CD2-CD1 4.35Å; S798-L843 WeakPolarHBondContact OG-CD1 3.35Å; V839-L843 HydrophobicContact CG1-CD1 3.69Å; V839-L843 HydrophobicContact CG1-CG 3.94Å; V839-L843 WeakPolarHBondContact O-CG 3.05Å; V839-L843 PolarHBondContact O-N 3.13Å; N840-L843 PolarHBondContact O-N 3.13Å; L843-F847 HydrophobicContact CD2-CD2 4.01Å; L843-F847 HydrophobicContact CD2-CE2 3.71Å; L843-F847 WeakPolarHBondContact O-CB 3.38Å; L843-F847 WeakPolarHBondContact O-CD2 3.47Å; L843-F847 PolarHBondContact O-N 3.04Å
844	Y	78.9	Confident	77.9	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-50	176.3	-179.1	-101.4	0	0	0	111.5	V594 I613 H791 N840 P841 L842 L846 N848 A851	V594-Y844 HydrophobicContact CG1-CD1 4Å; V594-Y844 HydrophobicContact CG1-CE1 4.11Å; V594-Y844 HydrophobicContact CG2-CD1 3.86Å; I613-Y844 HydrophobicContact CD1-CD2 4.15Å; I613-Y844 HydrophobicContact CD1-CE2 3.81Å; I613-Y844 HydrophobicContact CG2-CD2 3.86Å; I613-Y844 HydrophobicContact CG2-CE2 3.86Å; I613-Y844 HydrophobicContact CG2-CG 4.23Å; H791-Y844 AromaticContact CD2-CD2 3.81Å; H791-Y844 WeakPolarHBondContact CE1-CA 3.28Å; H791-Y844 PolarHBondContact CE1-N 3.38Å; H791-Y844 AromaticContact NE2-CD2 3.44Å; H791-Y844 WeakPolarHBondContact NE2-CD2 3.34Å; N840-Y844 PolarHBondContact O-N 3.12Å; P841-Y844 WeakPolarHBondContact O-CB 3.27Å; P841-Y844 PolarHBondContact O-N 3.36Å; L842-Y844 PolarHBondContact O-N 3.12Å; Y844-L846 VanDerWaalsContact C-N 3.26Å; Y844-L846 PolarHBondContact O-N 2.89Å; Y844-N848 HydrophobicContact CD2-CB 4.26Å; Y844-N848 HydrophobicContact CE2-CB 4.22Å; Y844-N848 WeakPolarHBondContact CE2-ND2 3.4Å; Y844-N848 WeakPolarHBondContact O-CB 3.45Å; Y844-N848 PolarHBondContact O-N 3.17Å; Y844-N848 PolarHBondContact OH-ND2 3.08Å; Y844-A851 HydrophobicContact CD1-CB 4.04Å; Y844-A851 HydrophobicContact CE1-CB 3.45Å; Y844-A851 VanDerWaalsContact CE1-CB 3.45Å
845	L	77.8	Confident	77	Confident	26 Å²	26	41 Å²	41	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-28.3	178.9	-66.8	170.2	0	0	0	112.9	L593 V594 P841 L842 R852	L593-L845 HydrophobicContact CB-CD1 4.38Å; V594-L845 HydrophobicContact CG2-CD1 4.21Å; V594-L845 HydrophobicContact CG2-CD2 4.13Å; V594-L845 HydrophobicContact CG2-CG 3.95Å; P841-L845 WeakPolarHBondContact O-CG 3.36Å; P841-L845 PolarHBondContact O-N 3.23Å; L842-L845 PolarHBondContact O-N 3.35Å; L845-R852 PolarHBondContact O-NE 3.17Å
846	L	75.4	Confident	76.1	Confident	99 Å²	99	41.4 Å²	41.4	52%	0.518	23%	0.232	S	C	.	.	H	α-helix	trans	-83	-40.7	-178.9	-76.7	169.1	0	0	0	113.9	L842 Y844 R852	L842-L846 VanDerWaalsContact O-CB 3.26Å; L842-L846 WeakPolarHBondContact O-CB 3.38Å; L842-L846 VanDerWaalsContact O-CG 3.27Å; L842-L846 WeakPolarHBondContact O-CG 3.4Å; L842-L846 PolarHBondContact O-N 3.45Å; Y844-L846 VanDerWaalsContact C-N 3.26Å; Y844-L846 PolarHBondContact O-N 2.89Å; L846-R852 VanDerWaalsContact CA-NH2 3.32Å; L846-R852 PolarHBondContact O-NH2 3.37Å
847	F	69.8	Low	75.2	Confident	85 Å²	85	42.9 Å²	42.9	37%	0.373	25%	0.247	S	C	.	.	H	α-helix	trans	-106.2	-9.7	-170	-69.4	-76.2	0	0	0	114.5	L843 P849	L843-F847 HydrophobicContact CD2-CD2 4.01Å; L843-F847 HydrophobicContact CD2-CE2 3.71Å; L843-F847 WeakPolarHBondContact O-CB 3.38Å; L843-F847 WeakPolarHBondContact O-CD2 3.47Å; L843-F847 PolarHBondContact O-N 3.04Å; F847-P849 VanDerWaalsContact O-CD 3.31Å; F847-P849 WeakPolarHBondContact O-CD 3.28Å
848	N	69.8	Low	74.3	Confident	12 Å²	12	45 Å²	45	6%	0.064	26%	0.257	C	S	.	.			trans	-100.2	102.2	174.5	-167.5	-3.9	0	0	0	111.2	Y844 L850 A851	Y844-N848 HydrophobicContact CD2-CB 4.26Å; Y844-N848 HydrophobicContact CE2-CB 4.22Å; Y844-N848 WeakPolarHBondContact CE2-ND2 3.4Å; Y844-N848 WeakPolarHBondContact O-CB 3.45Å; Y844-N848 PolarHBondContact O-N 3.17Å; Y844-N848 PolarHBondContact OH-ND2 3.08Å; N848-L850 PolarHBondContact O-N 3.3Å; N848-L850 WeakPolarHBondContact OD1-CB 3.34Å; N848-L850 PolarHBondContact OD1-N 3.4Å; N848-A851 HydrophobicContact CB-CB 4.1Å; N848-A851 PolarHBondContact O-N 2.77Å
849	P	65.6	Low	73.3	Confident	89 Å²	89	47 Å²	47	58%	0.578	28%	0.275	S	S	*	.	H	α-helix	trans	-62.8	-28.3	-179.8	24.8	-32.5	0	0	0	112.7	F847 R852 G853	F847-P849 VanDerWaalsContact O-CD 3.31Å; F847-P849 WeakPolarHBondContact O-CD 3.28Å; P849-R852 PolarHBondContact O-N 2.72Å; P849-G853 PolarHBondContact O-N 3.38Å
850	L	63.7	Low	72.4	Confident	80 Å²	80	47.8 Å²	47.8	42%	0.419	28%	0.284	S	S	.	.	H	α-helix	trans	-67.1	-38.6	178.4	-66.3	164.8	0	0	0	112.1	N848 R852 G853 E854	N848-L850 PolarHBondContact O-N 3.3Å; N848-L850 WeakPolarHBondContact OD1-CB 3.34Å; N848-L850 PolarHBondContact OD1-N 3.4Å; L850-R852 VanDerWaalsContact C-N 3.3Å; L850-R852 PolarHBondContact O-N 3.4Å; L850-G853 PolarHBondContact O-N 3.28Å; L850-E854 WeakPolarHBondContact O-CG 3.32Å; L850-E854 PolarHBondContact O-N 3.14Å
851	A	65	Low	71.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.8	-38.7	178.9	0	0	0	0	0	111.6	Y844 N848 E854 L855	Y844-A851 HydrophobicContact CD1-CB 4.04Å; Y844-A851 HydrophobicContact CE1-CB 3.45Å; Y844-A851 VanDerWaalsContact CE1-CB 3.45Å; N848-A851 HydrophobicContact CB-CB 4.1Å; N848-A851 PolarHBondContact O-N 2.77Å; A851-E854 PolarHBondContact O-N 3.1Å; A851-L855 WeakPolarHBondContact O-CB 3.43Å; A851-L855 PolarHBondContact O-N 3.25Å
852	R	69.2	Low	70.4	Confident	132 Å²	132	58.4 Å²	58.4	50%	0.498	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-39.7	175.5	-65.4	-178.9	-177.5	163.9	-7.6	112.1	L845 L846 P849 L850 A856	L845-R852 PolarHBondContact O-NE 3.17Å; L846-R852 VanDerWaalsContact CA-NH2 3.32Å; L846-R852 PolarHBondContact O-NH2 3.37Å; P849-R852 PolarHBondContact O-N 2.72Å; L850-R852 VanDerWaalsContact C-N 3.3Å; L850-R852 PolarHBondContact O-N 3.4Å; R852-A856 VanDerWaalsContact O-CB 3.27Å; R852-A856 WeakPolarHBondContact O-CB 3.48Å; R852-A856 PolarHBondContact O-N 2.84Å
853	G	66.5	Low	69.1	Low	43 Å²	43	59.5 Å²	59.5	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-43.1	175.3	0	0	0	0	0	112.7	P849 L850 A856 A857	P849-G853 PolarHBondContact O-N 3.38Å; L850-G853 PolarHBondContact O-N 3.28Å; G853-A856 PolarHBondContact O-N 3.39Å; G853-A857 WeakPolarHBondContact O-CB 3.38Å; G853-A857 PolarHBondContact O-N 3.11Å
854	E	68.9	Low	68	Low	24 Å²	24	68.1 Å²	68.1	11%	0.112	38%	0.381	C	S	.	.	H	α-helix	trans	-66.5	-40.2	176.7	-72.4	176.9	170.2	0	0	112	K610 L850 A851 A857 L858	K610-E854 IonicContact NZ-OE1 2.67Å; K610-E854 PolarHBondContact NZ-OE1 3.14Å; K610-E854 IonicContact NZ-OE2 3.14Å; L850-E854 WeakPolarHBondContact O-CG 3.32Å; L850-E854 PolarHBondContact O-N 3.14Å; A851-E854 PolarHBondContact O-N 3.1Å; E854-A857 PolarHBondContact O-N 3.49Å; E854-L858 PolarHBondContact O-N 3.18Å
855	L	69.5	Low	66.7	Low	52 Å²	52	69.9 Å²	69.9	27%	0.272	40%	0.401	S	S	.	.	H	α-helix	trans	-66.9	-40.5	175.3	-149.8	88	0	0	0	111.8	L593 A851 A857 L858 A859	L593-L855 HydrophobicContact CB-CD1 4.45Å; L593-L855 HydrophobicContact CD2-CD1 4.4Å; L593-L855 HydrophobicContact CD2-CD2 4.42Å; A851-L855 WeakPolarHBondContact O-CB 3.43Å; A851-L855 PolarHBondContact O-N 3.25Å; L855-A857 VanDerWaalsContact C-N 3.34Å; L855-L858 PolarHBondContact O-N 3.41Å; L855-A859 WeakPolarHBondContact O-CB 3.16Å; L855-A859 PolarHBondContact O-N 3.1Å
856	A	70.5	Confident	65.5	Low	61 Å²	61	71.2 Å²	71.2	50%	0.504	42%	0.415	S	S	.	.	H	α-helix	trans	-64.6	-37.7	175.1	0	0	0	0	0	111.9	R852 G853 A859 A860	R852-A856 VanDerWaalsContact O-CB 3.27Å; R852-A856 WeakPolarHBondContact O-CB 3.48Å; R852-A856 PolarHBondContact O-N 2.84Å; G853-A856 PolarHBondContact O-N 3.39Å; A856-A859 PolarHBondContact O-N 3.08Å; A856-A860 VanDerWaalsContact O-CB 3.3Å; A856-A860 WeakPolarHBondContact O-CB 3.35Å; A856-A860 PolarHBondContact O-N 3.24Å
857	A	68.1	Low	64.2	Low	58 Å²	58	69.2 Å²	69.2	48%	0.479	41%	0.413	S	S	.	.	H	α-helix	trans	-66.8	-39.8	174.6	0	0	0	0	0	112.5	G853 E854 L855 R861	G853-A857 WeakPolarHBondContact O-CB 3.38Å; G853-A857 PolarHBondContact O-N 3.11Å; E854-A857 PolarHBondContact O-N 3.49Å; L855-A857 VanDerWaalsContact C-N 3.34Å; A857-R861 PolarHBondContact O-N 3.49Å; A857-R861 VanDerWaalsContact O-N 3.15Å
858	L	69.9	Low	63.1	Low	46 Å²	46	67.6 Å²	67.6	24%	0.241	42%	0.416	C	S	.	.	H	α-helix	trans	-64.1	-45.3	172.3	-99.4	154.7	0	0	0	111.9	E854 L855 R861 A862	E854-L858 PolarHBondContact O-N 3.18Å; L855-L858 PolarHBondContact O-N 3.41Å; L858-R861 PolarHBondContact O-N 2.76Å; L858-A862 PolarHBondContact O-N 3.26Å
859	A	68.2	Low	62	Low	55 Å²	55	70.4 Å²	70.4	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-63.3	-42.9	177.1	0	0	0	0	0	112	L855 A856 R861 A862 C863	L855-A859 WeakPolarHBondContact O-CB 3.16Å; L855-A859 PolarHBondContact O-N 3.1Å; A856-A859 PolarHBondContact O-N 3.08Å; A859-R861 VanDerWaalsContact C-N 3.27Å; A859-R861 PolarHBondContact O-N 3.05Å; A859-A862 PolarHBondContact O-N 3.49Å; A859-C863 WeakPolarHBondContact O-CB 3.48Å; A859-C863 PolarHBondContact O-N 3.12Å; A859-C863 PolarHBondContact O-SG 3.34Å
860	A	67.4	Low	61	Low	46 Å²	46	74.4 Å²	74.4	38%	0.38	44%	0.444	S	S	.	.	H	α-helix	trans	-60.9	-35.7	175.4	0	0	0	0	0	112.2	A856 R864	A856-A860 VanDerWaalsContact O-CB 3.3Å; A856-A860 WeakPolarHBondContact O-CB 3.35Å; A856-A860 PolarHBondContact O-N 3.24Å; A860-R864 VanDerWaalsContact O-CG 3.3Å; A860-R864 WeakPolarHBondContact O-CG 3.49Å; A860-R864 PolarHBondContact O-N 3.06Å
861	R	65.4	Low	60.2	Low	169 Å²	169	77.8 Å²	77.8	64%	0.638	46%	0.462	S	S	*	.	H	α-helix	trans	-77	-37	177.2	-168.2	170.2	167.5	140.9	-4.6	112.6	A857 L858 A859 R864 G865	A857-R861 PolarHBondContact O-N 3.49Å; A857-R861 VanDerWaalsContact O-N 3.15Å; L858-R861 PolarHBondContact O-N 2.76Å; A859-R861 VanDerWaalsContact C-N 3.27Å; A859-R861 PolarHBondContact O-N 3.05Å; R861-R864 PolarHBondContact O-N 3.42Å; R861-G865 PolarHBondContact O-N 3.03Å
862	A	63.4	Low	58.9	Low	65 Å²	65	85.9 Å²	85.9	54%	0.537	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-41.7	171.7	0	0	0	0	0	111.5	L858 A859 G865 A866	L858-A862 PolarHBondContact O-N 3.26Å; A859-A862 PolarHBondContact O-N 3.49Å; A862-G865 PolarHBondContact O-N 3.11Å; A862-A866 WeakPolarHBondContact O-CB 3.2Å; A862-A866 PolarHBondContact O-N 3.28Å
863	C	57.7	Low	57.5	Low	91 Å²	91	90.9 Å²	90.9	62%	0.615	52%	0.519	S	S	*	.	H	α-helix	trans	-64.3	-41	173	-75.5	0	0	0	0	112.7	A859 A866 A867	A859-C863 WeakPolarHBondContact O-CB 3.48Å; A859-C863 PolarHBondContact O-N 3.12Å; A859-C863 PolarHBondContact O-SG 3.34Å; C863-A866 PolarHBondContact O-N 3.24Å; C863-A867 WeakPolarHBondContact O-CB 3.36Å; C863-A867 PolarHBondContact O-N 3.48Å
864	R	56.3	Low	56.2	Low	194 Å²	194	100.2 Å²	100.2	73%	0.732	54%	0.541	S	S	*	.	H	α-helix	trans	-65.8	-36.9	173.7	-73.2	177.4	-162.9	-173.1	5.3	112.7	A860 R861 A868	A860-R864 VanDerWaalsContact O-CG 3.3Å; A860-R864 WeakPolarHBondContact O-CG 3.49Å; A860-R864 PolarHBondContact O-N 3.06Å; R861-R864 PolarHBondContact O-N 3.42Å; R864-A868 WeakPolarHBondContact O-CB 3.09Å; R864-A868 PolarHBondContact O-N 3.29Å
865	G	53.3	Low	54.9	Low	41 Å²	41	102 Å²	102	42%	0.423	57%	0.566	S	S	.	*	H	α-helix	trans	-68.8	-39.1	174.2	0	0	0	0	0	113.1	R861 A862 A868 S869	R861-G865 PolarHBondContact O-N 3.03Å; A862-G865 PolarHBondContact O-N 3.11Å; G865-A868 PolarHBondContact O-N 3.03Å; G865-S869 WeakPolarHBondContact O-CB 3.47Å; G865-S869 PolarHBondContact O-N 3.21Å; G865-S869 PolarHBondContact O-OG 3.19Å
866	A	51.3	Low	53.4	Low	53 Å²	53	106.1 Å²	106.1	44%	0.438	59%	0.592	S	S	.	*	H	α-helix	trans	-65.8	-39.7	173.5	0	0	0	0	0	111.8	A862 C863 S869 K870	A862-A866 WeakPolarHBondContact O-CB 3.2Å; A862-A866 PolarHBondContact O-N 3.28Å; C863-A866 PolarHBondContact O-N 3.24Å; A866-S869 PolarHBondContact O-N 3.08Å; A866-S869 PolarHBondContact O-OG 3.05Å; A866-K870 PolarHBondContact O-N 3.08Å; A866-K870 VanDerWaalsContact O-N 3.14Å
867	A	48.6	Very low	51.7	Low	57 Å²	57	110 Å²	110	47%	0.471	61%	0.61	S	S	.	*	H	α-helix	trans	-65.4	-41.3	173.2	0	0	0	0	0	112.6	C863 K870 L871	C863-A867 WeakPolarHBondContact O-CB 3.36Å; C863-A867 PolarHBondContact O-N 3.48Å; A867-K870 PolarHBondContact O-N 3.13Å; A867-L871 PolarHBondContact O-N 2.85Å; A867-L871 VanDerWaalsContact O-N 3.17Å
868	A	47.8	Very low	49.9	Very low	52 Å²	52	111.4 Å²	111.4	43%	0.43	63%	0.63	S	S	.	*	H	α-helix	trans	-65	-38.4	174.7	0	0	0	0	0	112.5	R864 G865 K870 L871 Q872	R864-A868 WeakPolarHBondContact O-CB 3.09Å; R864-A868 PolarHBondContact O-N 3.29Å; G865-A868 PolarHBondContact O-N 3.03Å; A868-K870 VanDerWaalsContact C-N 3.33Å; A868-K870 PolarHBondContact O-N 2.93Å; A868-L871 PolarHBondContact O-N 3.06Å; A868-Q872 PolarHBondContact O-N 3.38Å; A868-Q872 VanDerWaalsContact O-N 3.12Å
869	S	45.4	Very low	48	Very low	70 Å²	70	113.1 Å²	113.1	49%	0.49	66%	0.659	S	S	.	*	H	α-helix	trans	-69	-27	176.2	75.2	0	0	0	0	113.8	G865 A866	G865-S869 WeakPolarHBondContact O-CB 3.47Å; G865-S869 PolarHBondContact O-N 3.21Å; G865-S869 PolarHBondContact O-OG 3.19Å; A866-S869 PolarHBondContact O-N 3.08Å; A866-S869 PolarHBondContact O-OG 3.05Å
870	K	45.2	Very low	46.1	Very low	173 Å²	173	122.1 Å²	122.1	75%	0.752	68%	0.681	S	S	*	*	H	α-helix	trans	-75.8	-31.7	171.5	-94.5	-175.9	176.5	179.8	0	112.8	A866 A867 A868	A866-K870 PolarHBondContact O-N 3.08Å; A866-K870 VanDerWaalsContact O-N 3.14Å; A867-K870 PolarHBondContact O-N 3.13Å; A868-K870 VanDerWaalsContact C-N 3.33Å; A868-K870 PolarHBondContact O-N 2.93Å
871	L	45.8	Very low	45.3	Very low	152 Å²	152	124.9 Å²	124.9	80%	0.796	70%	0.695	S	S	*	*	H	α-helix	trans	-72.7	-30.6	173.8	-119.5	89.7	0	0	0	112.6	A867 A868	A867-L871 PolarHBondContact O-N 2.85Å; A867-L871 VanDerWaalsContact O-N 3.17Å; A868-L871 PolarHBondContact O-N 3.06Å
872	Q	39.4	Very low	43.5	Very low	170 Å²	170	124.6 Å²	124.6	79%	0.794	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-9.4	-177.2	-149.9	154.4	-3.2	0	0	113.9	A868	A868-Q872 PolarHBondContact O-N 3.38Å; A868-Q872 VanDerWaalsContact O-N 3.12Å
873	R	39.3	Very low	41.7	Very low	236 Å²	236	128.4 Å²	128.4	89%	0.891	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-0.1	174	-104.2	-175.9	-176.8	-178.9	1.9	114.9
874	R	39.9	Very low	40.2	Very low	239 Å²	239	128.2 Å²	128.2	90%	0.902	72%	0.717	S	S	*	*	S	Bend	trans	-115.9	18.8	-176.5	-135.3	178.7	-172.3	177.6	1.1	115.1
875	G	41.3	Very low	38.8	Very low	62 Å²	62	124.4 Å²	124.4	64%	0.639	72%	0.715	S	S	*	*			trans	-133.9	62.1	-176.1	0	0	0	0	0	114.6
876	V	37.2	Very low	37.7	Very low	138 Å²	138	132.7 Å²	132.7	84%	0.836	74%	0.735	S	S	*	*			trans	-153.9	99.9	154.5	-176.2	0	0	0	0	109.1
877	T	34.4	Very low	36.6	Very low	143 Å²	143	137.4 Å²	137.4	88%	0.877	75%	0.753	S	S	*	*			trans	175	124.4	133.5	38	0	0	0	0	107.8
878	G	31.5	Very low	36.1	Very low	87 Å²	87	142.9 Å²	142.9	90%	0.897	77%	0.769	S	S	*	*			trans	-91.3	177.8	-166.7	0	0	0	0	0	116.9
879	G	29.2	Very low	35.4	Very low	82 Å²	82	148 Å²	148	85%	0.845	79%	0.789	S	S	*	*			trans	146	110.5	167.3	0	0	0	0	0	113.6
880	R	28.2	Very low	34.7	Very low	244 Å²	244	149.3 Å²	149.3	92%	0.921	80%	0.804	S	S	*	*			trans	-72.2	-176.8	173.4	-74.7	179.2	166.8	178.6	-3.9	112.2
881	P	51.4	Low	34.1	Very low	104 Å²	104	150 Å²	150	68%	0.675	81%	0.81	S	S	*	*				-130.3	165	-55.2	36.9	-21.5	0	0	0	111.7
882	L	27	Very low	33.5	Very low	163 Å²	163	152.5 Å²	152.5	85%	0.853	81%	0.814	S	S	*	*			trans	169.2	121.9	137.6	-93.5	150.3	0	0	0	113.1
883	D	25.6	Very low	33.2	Very low	145 Å²	145	153.4 Å²	153.4	78%	0.775	82%	0.819	S	S	*	*			trans	77.4	138.7	134.5	-134.2	5.2	0	0	0	124.3
884	S	25.8	Very low	33	Very low	88 Å²	88	147.6 Å²	147.6	62%	0.615	81%	0.814	S	S	*	*			trans	84	102.4	153.3	76.7	0	0	0	0	120.8
885	T	28	Very low	32.5	Very low	114 Å²	114	142.4 Å²	142.4	70%	0.699	81%	0.813	S	S	*	*				55.4	127.3	122.5	49.5	0	0	0	0	122.4
886	Y	29.7	Very low	32	Very low	215 Å²	215	146.6 Å²	146.6	84%	0.843	82%	0.821	S	S	*	*			trans	45.9	129.2	147.9	-66.1	-86.3	0	0	0	117.2
887	D	28.7	Very low	31.6	Very low	152 Å²	152	145.4 Å²	145.4	81%	0.813	82%	0.818	S	S	*	*				-171.1	167.6	58.5	-121.8	-26.6	0	0	0	111.4
888	E	36.3	Very low	31.4	Very low	172 Å²	172	145.2 Å²	145.2	80%	0.804	82%	0.817	S	S	*	*			trans	-63.4	167.5	167.8	-75.7	-165.9	120.3	0	0	113.8
889	D	35	Very low	31.4	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	82%	0.817	S	S	*	*			trans	83.8	86	165.9	-62.9	-28.2	0	0	0	119.9
890	A	30	Very low	31.3	Very low	97 Å²	97	150.8 Å²	150.8	80%	0.802	81%	0.814	S	S	*	*			trans	-177.2	136.3	139.3	0	0	0	0	0	106.2
891	E	32.3	Very low	31.4	Very low	187 Å²	187	147.4 Å²	147.4	87%	0.874	81%	0.813	S	S	*	*			cis	-153.7	120.4	35.8	-70.8	171.6	121.9	0	0	108.6
892	K	33.5	Very low	30.3	Very low	205 Å²	205	149 Å²	149	89%	0.891	82%	0.82	S	S	*	*			trans	-80.9	112.7	143.3	-81.8	177	176.7	172.7	0	106.3
893	Q	33	Very low	30.3	Very low	190 Å²	190	147.1 Å²	147.1	89%	0.888	82%	0.816	S	S	*	*			trans	179.9	148.6	139.1	-103.2	160	0.2	0	0	112.3
894	S	34.3	Very low	30.4	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	82%	0.816	S	S	*	*	S	Bend	trans	85.8	73.6	167	-167.1	0	0	0	0	116.8
895	C	30.3	Very low	30.4	Very low	131 Å²	131	151.9 Å²	151.9	89%	0.885	83%	0.832	S	S	*	*				-175.4	74.8	122.4	-88.9	0	0	0	0	109
896	D	29.6	Very low	30.3	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	83%	0.828	S	S	*	*			trans	-134.5	98.9	166.5	-159.8	3.9	0	0	0	108.7
897	S	30.8	Very low	30.2	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	83%	0.828	S	S	*	*			trans	-169.1	83.5	170.7	-75.6	0	0	0	0	108.6
898	T	30	Very low	30.1	Very low	139 Å²	139	147.3 Å²	147.3	85%	0.853	83%	0.828	S	S	*	*				174.4	72.5	128.8	38	0	0	0	0	109.8
899	Q	30.1	Very low	29.6	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	83%	0.832	S	S	*	*			trans	-141	78.1	153.3	-79.9	-161.9	-11.3	0	0	108.8
900	A	28.4	Very low	29.1	Very low	93 Å²	93	149.8 Å²	149.8	77%	0.769	83%	0.834	S	S	*	*			trans	-164.4	83.8	162.4	0	0	0	0	0	109
901	L	29.2	Very low	28.9	Very low	173 Å²	173	154 Å²	154	91%	0.906	84%	0.837	S	S	*	*			trans	-167.8	50.8	158.6	-111.4	154.1	0	0	0	112.8
902	V	28.4	Very low	28.5	Very low	137 Å²	137	153.2 Å²	153.2	83%	0.83	83%	0.834	S	S	*	*			trans	-156.3	110	147.1	-165.3	0	0	0	0	103.9
903	V	27	Very low	28	Very low	124 Å²	124	153.1 Å²	153.1	75%	0.752	84%	0.836	S	S	*	*	S	Bend		177.3	124	105.4	157.8	0	0	0	0	107.8
904	V	28.5	Very low	27.5	Very low	130 Å²	130	154.5 Å²	154.5	79%	0.788	83%	0.834	S	S	*	*			trans	79	98.8	150.2	-178.3	0	0	0	0	119.8
905	E	26.3	Very low	26.9	Very low	204 Å²	204	153.7 Å²	153.7	95%	0.953	83%	0.828	S	S	*	*			trans	-106.3	140.3	131.5	-81	-177.7	152.2	0	0	106
906	G	25.5	Very low	26.6	Very low	60 Å²	60	156.7 Å²	156.7	62%	0.619	83%	0.826	S	S	*	*			cis	-178.4	143	0.7	0	0	0	0	0	106
907	V	26.4	Very low	26.4	Very low	136 Å²	136	154.8 Å²	154.8	82%	0.824	82%	0.82	S	S	*	*			trans	-143.1	139.6	165.4	-167.6	0	0	0	0	108.2
908	K	26.9	Very low	26	Very low	189 Å²	189	157 Å²	157	82%	0.822	82%	0.818	S	S	*	*			trans	96.1	127.1	168.7	-54.5	-173.2	177.1	179.8	0	111.8
909	E	26.4	Very low	25.9	Very low	189 Å²	189	158.1 Å²	158.1	88%	0.883	81%	0.813	S	S	*	*				-148.2	131.4	56.5	-70.9	167.8	161.7	0	0	114.3
910	E	24.2	Very low	26	Very low	193 Å²	193	154 Å²	154	90%	0.902	81%	0.805	S	S	*	*			trans	-133.9	126.6	135	-77.3	-173.6	159.8	0	0	102.5
911	E	25	Very low	26.2	Very low	186 Å²	186	158.3 Å²	158.3	87%	0.869	82%	0.815	S	S	*	*				-171.8	130.4	55	-124.9	-179.3	157.8	0	0	106.6
912	E	25.5	Very low	26.5	Very low	170 Å²	170	155.3 Å²	155.3	79%	0.794	81%	0.808	S	S	*	*			trans	-166.4	91.3	131.1	-158.5	160.4	-158.5	0	0	111.3	R914	E912-R914 HydrophobicContact CG-CB 4.18Å
913	Q	21.7	Very low	26.8	Very low	203 Å²	203	153.6 Å²	153.6	95%	0.949	81%	0.809	S	S	*	*			trans	-121.5	73	136.5	-124.7	-177.9	5.7	0	0	107.2	S915	Q913-S915 PolarHBondContact O-N 2.76Å
914	R	22.6	Very low	26.8	Very low	220 Å²	220	151.6 Å²	151.6	83%	0.83	81%	0.805	S	S	*	*			trans	-86.8	90.5	172	-153.5	-179.2	-155	-157.8	7.4	108.2	E912	E912-R914 HydrophobicContact CG-CB 4.18Å
915	S	22.4	Very low	26.7	Very low	95 Å²	95	152.5 Å²	152.5	66%	0.664	80%	0.801	S	S	*	*				166.3	113.9	120.9	50.2	0	0	0	0	112.5	Q913	Q913-S915 PolarHBondContact O-N 2.76Å
916	K	24	Very low	27.1	Very low	194 Å²	194	153.3 Å²	153.3	84%	0.843	80%	0.795	S	S	*	*			trans	66.3	140	130.5	-60.6	175.6	176.8	176.9	0	117.5
917	T	25.5	Very low	27.7	Very low	110 Å²	110	165.7 Å²	165.7	68%	0.675	82%	0.823	S	S	*	*			trans	105.8	105.2	142	-28.9	0	0	0	0	116.3
918	Q	23	Very low	27.7	Very low	160 Å²	160	167.2 Å²	167.2	75%	0.748	82%	0.823	S	S	*	*			trans	64.6	137.3	145.7	-73.3	167.7	-33.1	0	0	118
919	Q	27.3	Very low	27.8	Very low	162 Å²	162	166.1 Å²	166.1	76%	0.757	82%	0.823	S	S	*	*			cis	-167.8	150.4	10	-132.9	163.6	-6.4	0	0	108.9
920	S	31.8	Very low	27.9	Very low	105 Å²	105	164.8 Å²	164.8	73%	0.734	82%	0.82	S	S	*	*			trans	-63.6	150.7	174	49.2	0	0	0	0	114.4	S922	S920-S922 PolarHBondContact O-N 3.23Å; S920-S922 VanDerWaalsContact O-N 3.11Å
921	L	33.2	Very low	28.1	Very low	184 Å²	184	163.1 Å²	163.1	96%	0.963	82%	0.815	S	S	*	*	S	Bend	trans	-61.8	100.5	165.5	-86.2	132	0	0	0	112.1
922	S	35.1	Very low	28.3	Very low	111 Å²	111	161.7 Å²	161.7	78%	0.776	81%	0.811	S	S	*	*	S	Bend		-177.3	150.4	120	63.3	0	0	0	0	108.7	S920	S920-S922 PolarHBondContact O-N 3.23Å; S920-S922 VanDerWaalsContact O-N 3.11Å
923	A	35.1	Very low	28.5	Very low	101 Å²	101	161.1 Å²	161.1	84%	0.835	81%	0.812	S	S	*	*			trans	-57.8	140.4	-169.4	0	0	0	0	0	114.1
924	A	26.5	Very low	28.9	Very low	81 Å²	81	158.1 Å²	158.1	67%	0.669	80%	0.803	S	S	*	*			trans	82.1	125.3	161.2	0	0	0	0	0	120.4
925	Q	26.2	Very low	29.4	Very low	150 Å²	150	153.4 Å²	153.4	70%	0.701	80%	0.801	S	S	*	*			trans	63.8	121.5	139.3	-81.1	157.2	-77.1	0	0	121.7
926	R	35.8	Very low	30	Very low	220 Å²	220	158.3 Å²	158.3	83%	0.83	81%	0.812	S	S	*	*			trans	54	107.2	134.7	-59	176.8	-170.5	-179.5	2.3	115.4
927	R	37.1	Very low	30.6	Very low	321 Å²	321	155 Å²	155	100%	1.211	81%	0.809	S	S	*	*				-167.9	0	62.2	-103.1	-179.8	176.9	173.7	-0.7	109.3

Retrieved 927 of 927 residues in 454.8 ms (Link to these results)

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