A0A087Y715_POEFO Loading...

L-fucose kinase

Takes part in the salvage pathway for reutilization of fucose from the degradation of oligosaccharides.

AlphaFold DB , UniProt , Accession A0A087Y715, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,089 aa.

						>A0A087Y715_POEFO|A0A087Y715
MSRKGDFPWTVVVLTCQHKDSVYAFQRELELRQKRGTLAGNALLLTVRDRQEPPGSGGATLNALLVAAEHLSSRAGYTVVTADVLDDAHILILHTGRDFPWSPCSRAFCWLPEEKPGQKVQAPVCVLDVLLDRLSSQICPGSPPGVWVCSTDMILSVPTDFVLSWDGFSGVRVLAVPGDVSYAADHGVYLSDSQGWVRDIIYRGTREEIQRALMPDGKVPLVSGPVFFCRSVSEKMLQTHVSPPLDGCTYLGLDSGAPPLQISLFLDLLKCLCSDLTQDQFVNEGRAGCSPTDGPQGATVRAGRVELWRILRGAPLSLVYIPGGRYDYLTLSGKQHVERLTSDWTVGNTLSHIQVNEKLLSEGARVINSALDGDVAVATRAVVQHCHLQGPLDIPSGCLLSGVDVSASTCLRRLALSSDIIIQGHRIELGELKLNVYTVVGTHDDLQVPFNGSGASFLNQTWTVFFSSSGIQPEELWVKGEQCSLLEARLFPVLHPRGGTVGLEGGVGWLLGGPGCLQRWREAWRVSLREVLSLTHQEAELQWREELLFLAGRKRTADALQSRTDVCLLPCFRVAVQGGQQGALLETLDSIAAGSLESGAEPGAQVGVAARCLSCIADVLVCMAEGKGGLRSGPAANEAWSSAYFLLEEGNLRGGVYALAAQRQLWLSRPDLLVRAARHYEGAGQVLLRQAVMSSQRFISIGQGEAPPIGEWQEVECPARLDLAGGWSDTPPIAFEHGGSVTNVSVKVDGKRPIGARARRIVKPHLLLVSCSGGRGSGASTEMVCENLDDLRDYSQPHAPGALLKAVCVCSGLVSLSSQHPLGQQLMQSWGGGVELHSWSELPTGSGLGTSSILAGALLAAVYRCTGRTYDTDSLIHAVLYLEQILTTGGGWQDQVGGLVGGVKVGRSRASLPLQVEVERLSPPQEFLVSLEQHLLLVYTGKTRLARNLLQDVVRSWYSRLPAMVENAQQLVSNSEECAKSCSEGSLSRLGRCLDRSWQQKKLMAPGCEPASVRTMMEALRPLVLGQSLAGAGGGGFLYLLTREPRQQEAVLKTLRNTPGLGDFSVHSVELDMEGIAIRPPAVTQPAEK
					

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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	25	Very low	63.1	Low	244 Å²	244	100.1 Å²	100.1	100%	1.202	54%	0.54	S	S	*	.				0	109.7	0	-77.1	171.4	164.1	0	0	107.9
2	S	22.1	Very low	65.9	Low	122 Å²	122	91.8 Å²	91.8	85%	0.853	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-61.1	131.8	175.8	-178.1	0	0	0	0	109.2	K4	S2-K4 PolarHBondContact O-N 3.49Å
3	R	32.5	Very low	68.4	Low	203 Å²	203	84.7 Å²	84.7	77%	0.766	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-57.3	128.5	166.9	-72.9	177.6	177.1	-159.4	-10.1	107.3	G5	R3-G5 PolarHBondContact O-N 3.22Å; R3-G5 VanDerWaalsContact O-N 3.13Å
4	K	39.6	Very low	70.3	Confident	182 Å²	182	78.6 Å²	78.6	79%	0.791	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-53.3	117.1	159.9	-81.7	-179.3	170.5	-174.4	0	105.5	S2	S2-K4 PolarHBondContact O-N 3.49Å
5	G	49.5	Very low	71.8	Confident	72 Å²	72	73.5 Å²	73.5	74%	0.742	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-67	132.8	-179.2	0	0	0	0	0	109.9	R3	R3-G5 PolarHBondContact O-N 3.22Å; R3-G5 VanDerWaalsContact O-N 3.13Å
6	D	65.4	Low	72.8	Confident	127 Å²	127	68.9 Å²	68.9	68%	0.679	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-61.4	141.1	176.2	-61.3	-43.4	0	0	0	110.3
7	F	85.2	Confident	73.1	Confident	17 Å²	17	67.2 Å²	67.2	8%	0.075	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-60.3	131.1	176.9	-176	-100.2	0	0	0	110.8	W9 H89 S135 C139 S142	F7-W9 VanDerWaalsContact C-N 3.34Å; F7-W9 AromaticContact CD1-CD2 3.67Å; F7-W9 HydrophobicContact CD1-CD2 3.67Å; F7-W9 AromaticContact CD1-CE2 3.52Å; F7-W9 AromaticContact CD1-CE3 3.99Å; F7-W9 HydrophobicContact CD1-CE3 3.99Å; F7-W9 HydrophobicContact CD1-CG 4.17Å; F7-W9 HydrophobicContact CD1-CH2 4.07Å; F7-W9 AromaticContact CD1-CZ2 3.74Å; F7-W9 HydrophobicContact CD1-CZ2 3.74Å; F7-W9 HydrophobicContact CD1-CZ3 4.18Å; F7-W9 AromaticContact CD1-NE1 3.89Å; F7-W9 AromaticContact CE1-CD2 3.93Å; F7-W9 HydrophobicContact CE1-CD2 3.93Å; F7-W9 AromaticContact CE1-CE3 3.73Å; F7-W9 HydrophobicContact CE1-CE3 3.73Å; F7-W9 AromaticContact CE1-CH2 3.82Å; F7-W9 HydrophobicContact CE1-CH2 3.82Å; F7-W9 AromaticContact CE1-CZ2 3.99Å; F7-W9 HydrophobicContact CE1-CZ2 3.99Å; F7-W9 AromaticContact CE1-CZ3 3.67Å; F7-W9 HydrophobicContact CE1-CZ3 3.67Å; F7-W9 PolarHBondContact O-N 3.34Å; F7-H89 HydrophobicContact CE1-CB 3.9Å; F7-H89 HydrophobicContact CZ-CB 4.22Å; F7-H89 AromaticContact CZ-CD2 3.41Å; F7-H89 VanDerWaalsContact CZ-CD2 3.41Å; F7-H89 WeakPolarHBondContact CZ-CD2 3.35Å; F7-H89 AromaticContact CZ-CG 3.82Å; F7-H89 AromaticContact CZ-NE2 3.94Å; F7-S135 WeakPolarHBondContact CB-O 3.27Å; F7-C139 HydrophobicContact CD1-CB 4.08Å; F7-C139 HydrophobicContact CD2-CB 4.24Å; F7-C139 HydrophobicContact CE1-CB 3.97Å; F7-C139 HydrophobicContact CE2-CB 4.16Å; F7-C139 WeakPolarHBondContact CE2-O 3.35Å; F7-C139 HydrophobicContact CG-CB 4.2Å; F7-C139 HydrophobicContact CZ-CB 4Å; F7-S142 WeakPolarHBondContact CZ-OG 3.45Å
8	P	86.9	Confident	73.4	Confident	81 Å²	81	65.9 Å²	65.9	53%	0.526	35%	0.352	S	S	.	.			trans	-82.9	73.3	-168.5	34.3	-36.9	0	0	0	112	T10	P8-T10 PolarHBondContact O-N 3.24Å
9	W	94.1	Very high	73.5	Confident	9 Å²	9	69.4 Å²	69.4	3%	0.034	36%	0.364	C	S	.	.			trans	-56	124.8	173.1	-64.6	110.3	0	0	0	111.5	F7 V12 A42 H89 L91 L134 S135 C139 W147	F7-W9 VanDerWaalsContact C-N 3.34Å; F7-W9 AromaticContact CD1-CD2 3.67Å; F7-W9 HydrophobicContact CD1-CD2 3.67Å; F7-W9 AromaticContact CD1-CE2 3.52Å; F7-W9 AromaticContact CD1-CE3 3.99Å; F7-W9 HydrophobicContact CD1-CE3 3.99Å; F7-W9 HydrophobicContact CD1-CG 4.17Å; F7-W9 HydrophobicContact CD1-CH2 4.07Å; F7-W9 AromaticContact CD1-CZ2 3.74Å; F7-W9 HydrophobicContact CD1-CZ2 3.74Å; F7-W9 HydrophobicContact CD1-CZ3 4.18Å; F7-W9 AromaticContact CD1-NE1 3.89Å; F7-W9 AromaticContact CE1-CD2 3.93Å; F7-W9 HydrophobicContact CE1-CD2 3.93Å; F7-W9 AromaticContact CE1-CE3 3.73Å; F7-W9 HydrophobicContact CE1-CE3 3.73Å; F7-W9 AromaticContact CE1-CH2 3.82Å; F7-W9 HydrophobicContact CE1-CH2 3.82Å; F7-W9 AromaticContact CE1-CZ2 3.99Å; F7-W9 HydrophobicContact CE1-CZ2 3.99Å; F7-W9 AromaticContact CE1-CZ3 3.67Å; F7-W9 HydrophobicContact CE1-CZ3 3.67Å; F7-W9 PolarHBondContact O-N 3.34Å; W9-V12 HydrophobicContact CB-CG2 3.88Å; W9-V12 HydrophobicContact CG-CG2 4.1Å; W9-A42 VanDerWaalsContact O-CB 3.29Å; W9-A42 WeakPolarHBondContact O-CB 3.37Å; W9-H89 HydrophobicContact CE3-CB 4.26Å; W9-L91 HydrophobicContact CD2-CB 4.07Å; W9-L91 HydrophobicContact CD2-CD2 4.42Å; W9-L91 HydrophobicContact CE3-CB 3.62Å; W9-L91 HydrophobicContact CH2-CB 3.96Å; W9-L91 HydrophobicContact CH2-CD1 4.1Å; W9-L91 HydrophobicContact CH2-CD2 4.26Å; W9-L91 HydrophobicContact CH2-CG 4.32Å; W9-L91 HydrophobicContact CZ2-CB 4.38Å; W9-L91 HydrophobicContact CZ2-CD2 3.98Å; W9-L91 HydrophobicContact CZ3-CB 3.57Å; W9-L91 HydrophobicContact CZ3-CD1 4.46Å; W9-L91 HydrophobicContact CZ3-CG 4.41Å; W9-L134 HydrophobicContact CZ2-CB 4.25Å; W9-S135 PolarHBondContact NE1-OG 3.43Å; W9-C139 HydrophobicContact CH2-CB 4.01Å; W9-C139 VanDerWaalsContact CH2-SG 3.51Å; W9-C139 HydrophobicContact CZ2-CB 4.04Å; W9-W147 HydrophobicContact CH2-CB 4.09Å; W9-W147 AromaticContact CH2-CD1 3.64Å; W9-W147 AromaticContact CH2-CG 3.87Å; W9-W147 HydrophobicContact CH2-CG 3.87Å; W9-W147 HydrophobicContact CZ3-CB 4.21Å; W9-W147 AromaticContact CZ3-CD1 3.64Å; W9-W147 HydrophobicContact CZ3-CG 4.13Å
10	T	96.1	Very high	73.5	Confident	44 Å²	44	71.1 Å²	71.1	27%	0.27	37%	0.373	S	S	.	.	S	Bend	trans	-78.4	-43.8	173.6	-45.6	0	0	0	0	110.5	P8 L43 L71 A88 H89	P8-T10 PolarHBondContact O-N 3.24Å; T10-L43 PolarHBondContact O-N 3.46Å; T10-L71 HydrophobicContact CG2-CD2 3.95Å; T10-A88 HydrophobicContact CG2-CB 4.3Å; T10-H89 PolarHBondContact N-O 2.77Å; T10-H89 PolarHBondContact OG1-N 3.28Å
11	V	97.3	Very high	73.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.3	179.3	-169.7	0	0	0	0	109.8	V13 L43 L45 A67 L71 H89 I90 L91	V11-V13 HydrophobicContact CG1-CG2 3.76Å; V11-L43 CarbonylContact C-O 3.58Å; V11-L43 VanDerWaalsContact CA-O 3.28Å; V11-L43 WeakPolarHBondContact CA-O 3.39Å; V11-L43 HydrophobicContact CB-CB 4.49Å; V11-L43 HydrophobicContact CG1-CB 4.26Å; V11-L43 HydrophobicContact CG1-CD2 4.16Å; V11-L43 HydrophobicContact CG1-CG 4.26Å; V11-L43 HydrophobicContact CG2-CB 4.18Å; V11-L43 HydrophobicContact CG2-CD2 4.17Å; V11-L45 HydrophobicContact CG1-CD1 3.84Å; V11-L45 HydrophobicContact CG1-CG 4.32Å; V11-A67 HydrophobicContact CG1-CB 4.09Å; V11-L71 HydrophobicContact CG2-CD1 3.77Å; V11-L71 HydrophobicContact CG2-CD2 3.72Å; V11-L71 HydrophobicContact CG2-CG 3.83Å; V11-H89 PolarHBondContact N-O 3.47Å; V11-I90 HydrophobicContact CB-CG1 4.2Å; V11-I90 HydrophobicContact CB-CG2 4.26Å; V11-I90 HydrophobicContact CG2-CG1 4.22Å; V11-I90 WeakPolarHBondContact O-CA 3.28Å; V11-L91 PolarHBondContact O-N 3.14Å
12	V	97.7	Very high	77	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.2	167.1	-177.9	0	0	0	0	108.1	W9 L38 L43 L44 L45 L91 L93	W9-V12 HydrophobicContact CB-CG2 3.88Å; W9-V12 HydrophobicContact CG-CG2 4.1Å; V12-L38 HydrophobicContact CG2-CD2 4.31Å; V12-L43 PolarHBondContact N-O 3.27Å; V12-L44 HydrophobicContact CB-CD2 3.94Å; V12-L44 HydrophobicContact CG2-CD2 4.39Å; V12-L44 WeakPolarHBondContact O-CA 3.39Å; V12-L45 PolarHBondContact O-N 2.71Å; V12-L91 CarbonylContact C-O 3.59Å; V12-L91 WeakPolarHBondContact CA-O 3.46Å; V12-L91 HydrophobicContact CG1-CD2 4.33Å; V12-L91 HydrophobicContact CG2-CB 4.43Å; V12-L93 HydrophobicContact CG1-CD1 4.15Å
13	V	97.4	Very high	80.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.4	179.6	-169.7	0	0	0	0	109.3	V11 L45 V47 A63 A67 L91 I92 L93	V11-V13 HydrophobicContact CG1-CG2 3.76Å; V13-L45 CarbonylContact C-O 3.29Å; V13-L45 VanDerWaalsContact CA-O 3.22Å; V13-L45 WeakPolarHBondContact CA-O 3.31Å; V13-L45 HydrophobicContact CG1-CB 4.3Å; V13-L45 HydrophobicContact CG2-CB 4.29Å; V13-L45 HydrophobicContact CG2-CD1 4.26Å; V13-V47 HydrophobicContact CG1-CB 4.11Å; V13-V47 HydrophobicContact CG1-CG2 3.55Å; V13-A63 HydrophobicContact CG1-CB 3.87Å; V13-A67 HydrophobicContact CG2-CB 4.11Å; V13-L91 PolarHBondContact N-O 2.96Å; V13-I92 HydrophobicContact CB-CG1 4.27Å; V13-I92 HydrophobicContact CG2-CG1 4.38Å; V13-L93 PolarHBondContact O-N 3.35Å
14	L	95.5	Very high	83	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.7	169	-173	65.1	0	0	0	108.7	F25 L29 L45 T46 V47 L93 T95 F108 T151	L14-F25 HydrophobicContact CD2-CB 4.06Å; L14-F25 HydrophobicContact CD2-CD2 4.19Å; L14-F25 HydrophobicContact CD2-CG 4.38Å; L14-L29 HydrophobicContact CB-CD1 3.93Å; L14-L29 HydrophobicContact CD2-CD2 4.48Å; L14-L45 PolarHBondContact N-O 3.45Å; L14-T46 CarbonylContact O-C 3.5Å; L14-T46 VanDerWaalsContact O-CA 3.24Å; L14-T46 WeakPolarHBondContact O-CA 3.41Å; L14-T46 WeakPolarHBondContact O-CG2 3.4Å; L14-V47 PolarHBondContact O-N 2.75Å; L14-L93 HydrophobicContact CD1-CB 3.68Å; L14-T95 HydrophobicContact CD1-CG2 3.6Å; L14-T95 HydrophobicContact CD2-CG2 4.26Å; L14-T95 HydrophobicContact CG-CG2 3.83Å; L14-F108 HydrophobicContact CD2-CE2 4.01Å; L14-F108 HydrophobicContact CD2-CZ 3.76Å; L14-T151 HydrophobicContact CD1-CG2 4.26Å
15	T	92.4	Very high	85.6	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	150.8	174.7	60.7	0	0	0	0	110.4	V47 A63 I92 L93 H94 T95	T15-V47 CarbonylContact C-O 3.51Å; T15-V47 WeakPolarHBondContact CA-O 3.37Å; T15-A63 HydrophobicContact CG2-CB 3.95Å; T15-I92 HydrophobicContact CG2-CG2 4.27Å; T15-L93 PolarHBondContact N-O 3.34Å; T15-L93 PolarHBondContact OG1-O 2.74Å; T15-H94 VanDerWaalsContact OG1-CA 3.31Å; T15-H94 WeakPolarHBondContact OG1-CA 3.29Å; T15-H94 PolarHBondContact OG1-ND1 3.2Å; T15-T95 WeakPolarHBondContact O-CB 3.39Å; T15-T95 WeakPolarHBondContact O-CG2 3.47Å; T15-T95 PolarHBondContact O-OG1 3Å
16	C	87.9	Confident	87.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.5	-179.8	60	0	0	0	0	111.5	V22 F25 T46 V47 R48 D49	C16-V22 WeakPolarHBondContact SG-CG2 3.42Å; C16-F25 HydrophobicContact CB-CD2 3.99Å; C16-F25 HydrophobicContact CB-CE2 4.22Å; C16-T46 HydrophobicContact CB-CG2 4.3Å; C16-V47 PolarHBondContact N-O 3.18Å; C16-V47 PolarHBondContact SG-O 3.38Å; C16-V47 VanDerWaalsContact SG-O 3.37Å; C16-R48 CarbonylContact O-C 3.52Å; C16-R48 WeakPolarHBondContact O-CA 3.47Å; C16-D49 PolarHBondContact O-N 3.13Å
17	Q	79.1	Confident	89	Confident	40 Å²	40	40.2 Å²	40.2	19%	0.187	19%	0.191	C	C	.	.	S	Bend	trans	-82.2	-46.4	-176	-60	-170.5	-35.9	0	0	111.8	G96	Q17-G96 PolarHBondContact NE2-O 3.42Å; Q17-G96 VanDerWaalsContact NE2-O 3.14Å; Q17-G96 PolarHBondContact OE1-O 2.81Å
18	H	78.1	Confident	89.4	Confident	44 Å²	44	40.5 Å²	40.5	20%	0.204	19%	0.192	C	C	.	.	S	Bend	trans	-91.5	146.2	-173	-50.1	-62.3	0	0	0	111.9	D20 S21 D98	H18-D20 VanDerWaalsContact C-N 3.28Å; H18-D20 PolarHBondContact O-N 3.36Å; H18-S21 WeakPolarHBondContact CB-OG 3.42Å; H18-S21 WeakPolarHBondContact O-CB 3.44Å; H18-S21 PolarHBondContact O-N 3.1Å; H18-D98 IonicContact CD2-OD1 3.56Å; H18-D98 IonicContact CE1-OD2 2.78Å; H18-D98 IonicContact NE2-OD1 3.38Å; H18-D98 PolarHBondContact NE2-OD1 3.25Å; H18-D98 IonicContact NE2-OD2 3.84Å; H18-D98 PolarHBondContact NE2-OD2 3.48Å
19	K	74.7	Confident	89.7	Confident	132 Å²	132	36.7 Å²	36.7	57%	0.574	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-42.1	179.1	-172.2	-173.7	173.3	-168.4	0	111.6	S21 V22	K19-S21 PolarHBondContact O-N 2.98Å; K19-V22 WeakPolarHBondContact O-CG2 3.41Å; K19-V22 PolarHBondContact O-N 3.43Å
20	D	74.7	Confident	89.7	Confident	102 Å²	102	39.9 Å²	39.9	55%	0.545	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.7	-171.2	-50.3	-34.3	0	0	0	111.5	H18	H18-D20 VanDerWaalsContact C-N 3.28Å; H18-D20 PolarHBondContact O-N 3.36Å
21	S	81.5	Confident	89.4	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-72.9	-26.9	173.2	-51	0	0	0	0	113.9	H18 K19 Y23 A24 F25 Q537	H18-S21 WeakPolarHBondContact CB-OG 3.42Å; H18-S21 WeakPolarHBondContact O-CB 3.44Å; H18-S21 PolarHBondContact O-N 3.1Å; K19-S21 PolarHBondContact O-N 2.98Å; S21-Y23 PolarHBondContact O-N 2.89Å; S21-A24 PolarHBondContact O-N 3.01Å; S21-F25 WeakPolarHBondContact O-CB 3.35Å; S21-F25 WeakPolarHBondContact O-CG 3.44Å; S21-F25 PolarHBondContact O-N 3.2Å; S21-Q537 VanDerWaalsContact CB-OE1 3.23Å; S21-Q537 PolarHBondContact OG-OE1 3.01Å
22	V	88.7	Confident	89	Confident	31 Å²	31	38.4 Å²	38.4	19%	0.188	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-53.5	-167.6	176.5	0	0	0	0	111.1	C16 K19 Q26 T46 R48	C16-V22 WeakPolarHBondContact SG-CG2 3.42Å; K19-V22 WeakPolarHBondContact O-CG2 3.41Å; K19-V22 PolarHBondContact O-N 3.43Å; V22-Q26 WeakPolarHBondContact O-CB 3.41Å; V22-Q26 PolarHBondContact O-N 3.37Å; V22-T46 HydrophobicContact CG1-CG2 4.33Å; V22-T46 WeakPolarHBondContact O-CB 3.3Å; V22-R48 HydrophobicContact CG2-CB 3.83Å; V22-R48 HydrophobicContact CG2-CG 4.4Å
23	Y	89.9	Confident	88.6	Confident	189 Å²	189	40.7 Å²	40.7	74%	0.741	18%	0.184	S	C	*	.	H	α-helix	trans	-69.7	-40.3	-178.8	-64.6	-71.1	0	0	0	112	S21 Q26 R27	S21-Y23 PolarHBondContact O-N 2.89Å; Y23-Q26 PolarHBondContact O-N 3.42Å; Y23-R27 PolarHBondContact O-N 3.02Å
24	A	91.4	Very high	88.1	Confident	6 Å²	6	47.3 Å²	47.3	5%	0.05	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-46.6	179.7	0	0	0	0	0	111.6	S21 R27 E28 E538 L541	S21-A24 PolarHBondContact O-N 3.01Å; A24-R27 WeakPolarHBondContact O-CB 3.36Å; A24-R27 PolarHBondContact O-N 3.49Å; A24-E28 PolarHBondContact O-N 3.14Å; A24-E28 VanDerWaalsContact O-N 3.14Å; A24-E538 HydrophobicContact CB-CB 4.01Å; A24-L541 HydrophobicContact CB-CD1 4.11Å
25	F	93.4	Very high	87.5	Confident	3 Å²	3	49.4 Å²	49.4	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-32.3	179.1	-68.2	-2	0	0	0	112.4	L14 C16 S21 R27 E28 L29 T46 T95 C104 F108 L541	L14-F25 HydrophobicContact CD2-CB 4.06Å; L14-F25 HydrophobicContact CD2-CD2 4.19Å; L14-F25 HydrophobicContact CD2-CG 4.38Å; C16-F25 HydrophobicContact CB-CD2 3.99Å; C16-F25 HydrophobicContact CB-CE2 4.22Å; S21-F25 WeakPolarHBondContact O-CB 3.35Å; S21-F25 WeakPolarHBondContact O-CG 3.44Å; S21-F25 PolarHBondContact O-N 3.2Å; F25-R27 VanDerWaalsContact C-N 3.33Å; F25-E28 WeakPolarHBondContact O-CB 3.12Å; F25-E28 PolarHBondContact O-N 3.37Å; F25-L29 PolarHBondContact O-N 3.1Å; F25-T46 HydrophobicContact CB-CG2 3.93Å; F25-T95 HydrophobicContact CD2-CG2 4.32Å; F25-T95 HydrophobicContact CE2-CG2 4.05Å; F25-C104 HydrophobicContact CE1-CB 4.41Å; F25-F108 HydrophobicContact CB-CE2 4.16Å; F25-F108 HydrophobicContact CB-CZ 4.37Å; F25-F108 AromaticContact CD1-CD2 3.91Å; F25-F108 HydrophobicContact CD1-CD2 3.91Å; F25-F108 AromaticContact CD1-CE2 3.37Å; F25-F108 HydrophobicContact CD1-CE2 3.37Å; F25-F108 HydrophobicContact CD1-CZ 4.23Å; F25-F108 AromaticContact CD2-CE2 3.97Å; F25-F108 HydrophobicContact CD2-CE2 3.97Å; F25-F108 AromaticContact CE1-CD2 3.72Å; F25-F108 HydrophobicContact CE1-CD2 3.72Å; F25-F108 AromaticContact CE1-CE2 3.63Å; F25-F108 HydrophobicContact CE1-CE2 3.63Å; F25-F108 HydrophobicContact CE2-CE2 4.19Å; F25-F108 HydrophobicContact CG-CD2 4.47Å; F25-F108 AromaticContact CG-CE2 3.56Å; F25-F108 HydrophobicContact CG-CE2 3.56Å; F25-F108 HydrophobicContact CG-CZ 4.25Å; F25-F108 HydrophobicContact CZ-CD2 4.11Å; F25-F108 HydrophobicContact CZ-CE2 4.03Å; F25-L541 HydrophobicContact CD1-CD1 4.24Å; F25-L541 HydrophobicContact CE1-CD1 4.37Å
26	Q	94.6	Very high	86.9	Confident	38 Å²	38	51.7 Å²	51.7	18%	0.178	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-47.5	170	-179.1	67.6	39.3	0	0	110.6	V22 Y23 E28 L29 E30 L44 T46	V22-Q26 WeakPolarHBondContact O-CB 3.41Å; V22-Q26 PolarHBondContact O-N 3.37Å; Y23-Q26 PolarHBondContact O-N 3.42Å; Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 2.99Å; Q26-L29 PolarHBondContact O-N 2.78Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.37Å; Q26-E30 PolarHBondContact NE2-OE1 3.44Å; Q26-E30 VanDerWaalsContact NE2-OE1 3.1Å; Q26-E30 WeakPolarHBondContact O-CG 3.22Å; Q26-E30 PolarHBondContact O-N 2.68Å; Q26-L44 PolarHBondContact NE2-O 3.37Å; Q26-L44 PolarHBondContact OE1-O 3.44Å; Q26-T46 WeakPolarHBondContact CA-OG1 3.42Å; Q26-T46 PolarHBondContact N-OG1 3.1Å; Q26-T46 VanDerWaalsContact N-OG1 3.09Å; Q26-T46 PolarHBondContact OE1-OG1 3.43Å
27	R	92.7	Very high	86.7	Confident	104 Å²	104	54.4 Å²	54.4	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-40.7	175.4	-177.3	178.8	171.2	-161.5	-10.4	111.7	Y23 A24 F25 L29 E30 L31 E545	Y23-R27 PolarHBondContact O-N 3.02Å; A24-R27 WeakPolarHBondContact O-CB 3.36Å; A24-R27 PolarHBondContact O-N 3.49Å; F25-R27 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 3.09Å; R27-E30 PolarHBondContact O-N 3.22Å; R27-L31 HydrophobicContact CG-CD1 4.39Å; R27-L31 WeakPolarHBondContact O-CB 3.36Å; R27-L31 VanDerWaalsContact O-CG 3.29Å; R27-L31 WeakPolarHBondContact O-CG 3.44Å; R27-L31 PolarHBondContact O-N 3.13Å; R27-E545 IonicContact CZ-OE2 3.94Å; R27-E545 VanDerWaalsContact NH2-CD 3.33Å; R27-E545 IonicContact NH2-OE1 3.53Å; R27-E545 PolarHBondContact NH2-OE1 3.35Å; R27-E545 IonicContact NH2-OE2 3.22Å; R27-E545 PolarHBondContact NH2-OE2 3.26Å
28	E	93	Very high	87.2	Confident	24 Å²	24	52.9 Å²	52.9	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-36.6	176.4	-78.9	-63.6	132.4	0	0	113.9	A24 F25 Q26 R32 F108 L541	A24-E28 PolarHBondContact O-N 3.14Å; A24-E28 VanDerWaalsContact O-N 3.14Å; F25-E28 WeakPolarHBondContact O-CB 3.12Å; F25-E28 PolarHBondContact O-N 3.37Å; Q26-E28 VanDerWaalsContact C-N 3.29Å; Q26-E28 PolarHBondContact O-N 2.99Å; E28-R32 WeakPolarHBondContact O-CG 3.03Å; E28-R32 PolarHBondContact O-N 2.69Å; E28-R32 PolarHBondContact O-NH1 3.08Å; E28-R32 IonicContact OE2-CZ 2.77Å; E28-R32 IonicContact OE2-NH1 3.63Å; E28-R32 PolarHBondContact OE2-NH1 2.8Å; E28-F108 HydrophobicContact CB-CD1 4.36Å; E28-F108 HydrophobicContact CB-CE1 3.57Å; E28-F108 HydrophobicContact CB-CZ 3.7Å; E28-F108 HydrophobicContact CG-CD1 4.32Å; E28-F108 HydrophobicContact CG-CE1 3.98Å; E28-F108 HydrophobicContact CG-CZ 4.2Å; E28-L541 HydrophobicContact CG-CD1 3.78Å; E28-L541 HydrophobicContact CG-CD2 4.36Å
29	L	94	Very high	87.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.4	-43.4	173.4	-66.6	179.1	0	0	0	111.4	L14 F25 Q26 R27 L31 R32 Q33 L38 L44 L127	L14-L29 HydrophobicContact CB-CD1 3.93Å; L14-L29 HydrophobicContact CD2-CD2 4.48Å; F25-L29 PolarHBondContact O-N 3.1Å; Q26-L29 PolarHBondContact O-N 2.78Å; R27-L29 PolarHBondContact O-N 3.09Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.42Å; L29-R32 WeakPolarHBondContact O-CB 3.23Å; L29-R32 PolarHBondContact O-N 3.41Å; L29-R32 VanDerWaalsContact O-N 3.1Å; L29-Q33 PolarHBondContact O-N 2.82Å; L29-L38 HydrophobicContact CD2-CD1 4.39Å; L29-L44 HydrophobicContact CB-CB 4.31Å; L29-L44 HydrophobicContact CB-CD1 3.93Å; L29-L44 HydrophobicContact CD1-CB 4.48Å; L29-L44 WeakPolarHBondContact O-CD1 3.48Å; L29-L127 HydrophobicContact CD2-CD2 4.13Å
30	E	93.1	Very high	88	Confident	76 Å²	76	49.6 Å²	49.6	36%	0.355	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-37.8	178.2	-71.8	172.4	-173.8	0	0	112.2	Q26 R27 R32 Q33 K34 L44	Q26-E30 WeakPolarHBondContact CG-OE1 3.37Å; Q26-E30 PolarHBondContact NE2-OE1 3.44Å; Q26-E30 VanDerWaalsContact NE2-OE1 3.1Å; Q26-E30 WeakPolarHBondContact O-CG 3.22Å; Q26-E30 PolarHBondContact O-N 2.68Å; R27-E30 PolarHBondContact O-N 3.22Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.32Å; E30-Q33 PolarHBondContact O-N 3.24Å; E30-K34 WeakPolarHBondContact O-CG 3.42Å; E30-K34 PolarHBondContact O-N 3.4Å; E30-L44 HydrophobicContact CG-CD1 4.41Å
31	L	89.4	Confident	88.7	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-41.2	172.3	-75.1	173.1	0	0	0	111.3	R27 L29 K34 R35	R27-L31 HydrophobicContact CG-CD1 4.39Å; R27-L31 WeakPolarHBondContact O-CB 3.36Å; R27-L31 VanDerWaalsContact O-CG 3.29Å; R27-L31 WeakPolarHBondContact O-CG 3.44Å; R27-L31 PolarHBondContact O-N 3.13Å; L29-L31 VanDerWaalsContact C-N 3.33Å; L29-L31 PolarHBondContact O-N 3.42Å; L31-K34 PolarHBondContact O-N 3.04Å; L31-R35 WeakPolarHBondContact O-CB 3.33Å; L31-R35 WeakPolarHBondContact O-CD 3.17Å; L31-R35 WeakPolarHBondContact O-CG 3.29Å; L31-R35 PolarHBondContact O-N 3.13Å
32	R	89.7	Confident	89.3	Confident	2 Å²	2	51 Å²	51	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-37.2	175.7	-74.7	167.3	172.5	74.7	4.4	112.5	E28 L29 E30 R35 G36 T37 L38 C125 D128	E28-R32 WeakPolarHBondContact O-CG 3.03Å; E28-R32 PolarHBondContact O-N 2.69Å; E28-R32 PolarHBondContact O-NH1 3.08Å; E28-R32 IonicContact OE2-CZ 2.77Å; E28-R32 IonicContact OE2-NH1 3.63Å; E28-R32 PolarHBondContact OE2-NH1 2.8Å; L29-R32 WeakPolarHBondContact O-CB 3.23Å; L29-R32 PolarHBondContact O-N 3.41Å; L29-R32 VanDerWaalsContact O-N 3.1Å; E30-R32 VanDerWaalsContact C-N 3.3Å; E30-R32 PolarHBondContact O-N 3.32Å; R32-R35 PolarHBondContact O-N 3.31Å; R32-G36 PolarHBondContact O-N 2.8Å; R32-G36 VanDerWaalsContact O-N 3.16Å; R32-T37 PolarHBondContact O-N 2.82Å; R32-L38 HydrophobicContact CB-CD1 4.06Å; R32-L38 HydrophobicContact CB-CG 4.35Å; R32-L38 PolarHBondContact O-N 2.73Å; R32-C125 PolarHBondContact NH2-SG 2.9Å; R32-D128 WeakPolarHBondContact CD-OD1 3.28Å; R32-D128 IonicContact CZ-OD1 2.96Å; R32-D128 IonicContact CZ-OD2 3.43Å; R32-D128 IonicContact NE-OD1 2.79Å; R32-D128 PolarHBondContact NE-OD1 2.76Å; R32-D128 IonicContact NE-OD2 3.2Å; R32-D128 PolarHBondContact NE-OD2 2.72Å; R32-D128 IonicContact NH2-OD1 3.9Å; R32-D128 IonicContact NH2-OD2 2.94Å; R32-D128 PolarHBondContact NH2-OD2 2.86Å
33	Q	89.6	Confident	89.6	Confident	48 Å²	48	50.2 Å²	50.2	22%	0.224	27%	0.269	C	S	.	.	H	α-helix	trans	-66.2	-45.8	173.1	-173.8	175.9	62.5	0	0	111.9	L29 E30 R35 G36 L38 A39 G40 A42 L44	L29-Q33 PolarHBondContact O-N 2.82Å; E30-Q33 PolarHBondContact O-N 3.24Å; Q33-R35 PolarHBondContact O-N 3.05Å; Q33-G36 PolarHBondContact O-N 3.09Å; Q33-L38 HydrophobicContact CB-CB 4.27Å; Q33-A39 PolarHBondContact NE2-O 3.38Å; Q33-G40 PolarHBondContact NE2-O 2.99Å; Q33-A42 PolarHBondContact NE2-O 3.23Å; Q33-L44 HydrophobicContact CB-CD1 3.74Å; Q33-L44 HydrophobicContact CG-CD1 4.36Å
34	K	85.8	Confident	90	Very high	138 Å²	138	41.8 Å²	41.8	60%	0.6	24%	0.236	S	C	*	.	H	α-helix	trans	-60.4	-32.3	175.5	-73.2	176.7	-177	175.3	0	112.9	E30 L31 G36	E30-K34 WeakPolarHBondContact O-CG 3.42Å; E30-K34 PolarHBondContact O-N 3.4Å; L31-K34 PolarHBondContact O-N 3.04Å; K34-G36 VanDerWaalsContact C-N 3.32Å
35	R	83.4	Confident	90.3	Very high	45 Å²	45	42.1 Å²	42.1	17%	0.17	24%	0.237	C	C	.	.	H	α-helix	trans	-79	-15.1	176.5	-69.4	165.6	-175.4	171.6	5.2	113.2	L31 R32 Q33 V120	L31-R35 WeakPolarHBondContact O-CB 3.33Å; L31-R35 WeakPolarHBondContact O-CD 3.17Å; L31-R35 WeakPolarHBondContact O-CG 3.29Å; L31-R35 PolarHBondContact O-N 3.13Å; R32-R35 PolarHBondContact O-N 3.31Å; Q33-R35 PolarHBondContact O-N 3.05Å; R35-V120 HydrophobicContact CG-CB 4.25Å; R35-V120 HydrophobicContact CG-CG1 4.05Å
36	G	81.3	Confident	90.3	Very high	50 Å²	50	42.7 Å²	42.7	52%	0.515	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	85	16.1	-178.5	0	0	0	0	0	114.6	R32 Q33 K34	R32-G36 PolarHBondContact O-N 2.8Å; R32-G36 VanDerWaalsContact O-N 3.16Å; Q33-G36 PolarHBondContact O-N 3.09Å; K34-G36 VanDerWaalsContact C-N 3.32Å
37	T	83.4	Confident	90.3	Very high	57 Å²	57	41.4 Å²	41.4	35%	0.35	24%	0.235	S	C	.	.	S	Bend	trans	-74.3	-33	170.3	-54	0	0	0	0	111.2	R32	R32-T37 PolarHBondContact O-N 2.82Å
38	L	88.1	Confident	90	Very high	8 Å²	8	41 Å²	41	4%	0.042	23%	0.234	C	C	.	.	S	Bend	trans	-114.1	147.1	173.5	-68.6	171.2	0	0	0	109.4	V12 L29 R32 Q33 L44 L131	V12-L38 HydrophobicContact CG2-CD2 4.31Å; L29-L38 HydrophobicContact CD2-CD1 4.39Å; R32-L38 HydrophobicContact CB-CD1 4.06Å; R32-L38 HydrophobicContact CB-CG 4.35Å; R32-L38 PolarHBondContact O-N 2.73Å; Q33-L38 HydrophobicContact CB-CB 4.27Å; L38-L44 HydrophobicContact CD1-CD1 4.45Å; L38-L44 HydrophobicContact CD1-CD2 3.8Å; L38-L131 HydrophobicContact CD2-CD1 4.02Å; L38-L131 HydrophobicContact CD2-CD2 4.16Å; L38-L131 HydrophobicContact CG-CD1 4.46Å
39	A	86	Confident	89.4	Confident	37 Å²	37	40.8 Å²	40.8	31%	0.306	23%	0.233	S	C	.	.			trans	-63.2	137.6	-178.7	0	0	0	0	0	111.5	Q33 N41 A42	Q33-A39 PolarHBondContact NE2-O 3.38Å; A39-N41 WeakPolarHBondContact CB-OD1 3.48Å; A39-N41 PolarHBondContact O-N 3.32Å; A39-N41 VanDerWaalsContact O-N 3.15Å; A39-A42 HydrophobicContact CB-CB 4.37Å; A39-A42 WeakPolarHBondContact O-CB 3.38Å; A39-A42 PolarHBondContact O-N 3.06Å; A39-A42 VanDerWaalsContact O-N 3.13Å
40	G	85.1	Confident	88	Confident	69 Å²	69	45.3 Å²	45.3	71%	0.711	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.5	-175.4	0	0	0	0	0	115.4	Q33	Q33-G40 PolarHBondContact NE2-O 2.99Å
41	N	89.1	Confident	86.6	Confident	129 Å²	129	46.9 Å²	46.9	69%	0.69	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-12.4	177.2	63	-33.5	0	0	0	113.6	A39 L43	A39-N41 WeakPolarHBondContact CB-OD1 3.48Å; A39-N41 PolarHBondContact O-N 3.32Å; A39-N41 VanDerWaalsContact O-N 3.15Å; N41-L43 PolarHBondContact O-N 2.83Å
42	A	93.3	Very high	85	Confident	5 Å²	5	52.6 Å²	52.6	4%	0.041	28%	0.284	C	S	.	.	S	Bend	trans	-62.7	134.7	178.1	0	0	0	0	0	110.3	W9 Q33 A39	W9-A42 VanDerWaalsContact O-CB 3.29Å; W9-A42 WeakPolarHBondContact O-CB 3.37Å; Q33-A42 PolarHBondContact NE2-O 3.23Å; A39-A42 HydrophobicContact CB-CB 4.37Å; A39-A42 WeakPolarHBondContact O-CB 3.38Å; A39-A42 PolarHBondContact O-N 3.06Å; A39-A42 VanDerWaalsContact O-N 3.13Å
43	L	96.2	Very high	83.5	Confident	15 Å²	15	56.4 Å²	56.4	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.4	170.1	176.4	64.8	0	0	0	109	T10 V11 V12 N41 L45 H70 R74	T10-L43 PolarHBondContact O-N 3.46Å; V11-L43 CarbonylContact C-O 3.58Å; V11-L43 VanDerWaalsContact CA-O 3.28Å; V11-L43 WeakPolarHBondContact CA-O 3.39Å; V11-L43 HydrophobicContact CB-CB 4.49Å; V11-L43 HydrophobicContact CG1-CB 4.26Å; V11-L43 HydrophobicContact CG1-CD2 4.16Å; V11-L43 HydrophobicContact CG1-CG 4.26Å; V11-L43 HydrophobicContact CG2-CB 4.18Å; V11-L43 HydrophobicContact CG2-CD2 4.17Å; V12-L43 PolarHBondContact N-O 3.27Å; N41-L43 PolarHBondContact O-N 2.83Å; L43-L45 HydrophobicContact CD1-CD2 4Å; L43-L45 HydrophobicContact CD1-CG 4.42Å; L43-L45 HydrophobicContact CD2-CD1 3.91Å; L43-L45 HydrophobicContact CD2-CD2 4.24Å; L43-L45 HydrophobicContact CD2-CG 4.14Å; L43-L45 HydrophobicContact CG-CD1 4.24Å; L43-L45 HydrophobicContact CG-CD2 4.04Å; L43-L45 HydrophobicContact CG-CG 3.93Å; L43-H70 HydrophobicContact CD2-CB 3.49Å; L43-H70 VanDerWaalsContact CD2-CB 3.49Å; L43-R74 VanDerWaalsContact CD1-NH2 3.33Å
44	L	97.4	Very high	81.9	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.058	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.7	178.3	-56.3	179.7	0	0	0	109.5	V12 Q26 L29 E30 Q33 L38	V12-L44 HydrophobicContact CB-CD2 3.94Å; V12-L44 HydrophobicContact CG2-CD2 4.39Å; V12-L44 WeakPolarHBondContact O-CA 3.39Å; Q26-L44 PolarHBondContact NE2-O 3.37Å; Q26-L44 PolarHBondContact OE1-O 3.44Å; L29-L44 HydrophobicContact CB-CB 4.31Å; L29-L44 HydrophobicContact CB-CD1 3.93Å; L29-L44 HydrophobicContact CD1-CB 4.48Å; L29-L44 WeakPolarHBondContact O-CD1 3.48Å; E30-L44 HydrophobicContact CG-CD1 4.41Å; Q33-L44 HydrophobicContact CB-CD1 3.74Å; Q33-L44 HydrophobicContact CG-CD1 4.36Å; L38-L44 HydrophobicContact CD1-CD1 4.45Å; L38-L44 HydrophobicContact CD1-CD2 3.8Å
45	L	96.8	Very high	81.4	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.073	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.1	-177.8	-60.1	173.8	0	0	0	110.5	V11 V12 V13 L14 L43 V47 V66 A67 H70	V11-L45 HydrophobicContact CG1-CD1 3.84Å; V11-L45 HydrophobicContact CG1-CG 4.32Å; V12-L45 PolarHBondContact O-N 2.71Å; V13-L45 CarbonylContact C-O 3.29Å; V13-L45 VanDerWaalsContact CA-O 3.22Å; V13-L45 WeakPolarHBondContact CA-O 3.31Å; V13-L45 HydrophobicContact CG1-CB 4.3Å; V13-L45 HydrophobicContact CG2-CB 4.29Å; V13-L45 HydrophobicContact CG2-CD1 4.26Å; L14-L45 PolarHBondContact N-O 3.45Å; L43-L45 HydrophobicContact CD1-CD2 4Å; L43-L45 HydrophobicContact CD1-CG 4.42Å; L43-L45 HydrophobicContact CD2-CD1 3.91Å; L43-L45 HydrophobicContact CD2-CD2 4.24Å; L43-L45 HydrophobicContact CD2-CG 4.14Å; L43-L45 HydrophobicContact CG-CD1 4.24Å; L43-L45 HydrophobicContact CG-CD2 4.04Å; L43-L45 HydrophobicContact CG-CG 3.93Å; L45-V47 HydrophobicContact CB-CG2 4.42Å; L45-V66 HydrophobicContact CD1-CG1 4.33Å; L45-A67 HydrophobicContact CD1-CB 4.34Å; L45-H70 HydrophobicContact CD1-CB 4.49Å
46	T	95.3	Very high	81.6	Confident	15 Å²	15	49.5 Å²	49.5	9%	0.092	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.8	163.8	-52.4	0	0	0	0	109.4	L14 C16 V22 F25 Q26	L14-T46 CarbonylContact O-C 3.5Å; L14-T46 VanDerWaalsContact O-CA 3.24Å; L14-T46 WeakPolarHBondContact O-CA 3.41Å; L14-T46 WeakPolarHBondContact O-CG2 3.4Å; C16-T46 HydrophobicContact CB-CG2 4.3Å; V22-T46 HydrophobicContact CG1-CG2 4.33Å; V22-T46 WeakPolarHBondContact O-CB 3.3Å; F25-T46 HydrophobicContact CB-CG2 3.93Å; Q26-T46 WeakPolarHBondContact CA-OG1 3.42Å; Q26-T46 PolarHBondContact N-OG1 3.1Å; Q26-T46 VanDerWaalsContact N-OG1 3.09Å; Q26-T46 PolarHBondContact OE1-OG1 3.43Å
47	V	92.8	Very high	82	Confident	10 Å²	10	47.1 Å²	47.1	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.9	-173.1	178.6	0	0	0	0	110.1	V13 L14 T15 C16 L45 N62 V66	V13-V47 HydrophobicContact CG1-CB 4.11Å; V13-V47 HydrophobicContact CG1-CG2 3.55Å; L14-V47 PolarHBondContact O-N 2.75Å; T15-V47 CarbonylContact C-O 3.51Å; T15-V47 WeakPolarHBondContact CA-O 3.37Å; C16-V47 PolarHBondContact N-O 3.18Å; C16-V47 PolarHBondContact SG-O 3.38Å; C16-V47 VanDerWaalsContact SG-O 3.37Å; L45-V47 HydrophobicContact CB-CG2 4.42Å; V47-N62 WeakPolarHBondContact CG1-ND2 3.23Å; V47-V66 HydrophobicContact CG1-CG2 4.16Å; V47-V66 HydrophobicContact CG2-CB 4.05Å; V47-V66 HydrophobicContact CG2-CG1 3.88Å; V47-V66 HydrophobicContact CG2-CG2 4.34Å
48	R	87.6	Confident	82.4	Confident	96 Å²	96	44.4 Å²	44.4	36%	0.362	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.6	178.6	-171.5	-171.6	171	-170.8	-3.2	111.8	C16 V22 R50	C16-R48 CarbonylContact O-C 3.52Å; C16-R48 WeakPolarHBondContact O-CA 3.47Å; V22-R48 HydrophobicContact CG2-CB 3.83Å; V22-R48 HydrophobicContact CG2-CG 4.4Å; R48-R50 PolarHBondContact O-N 2.93Å
49	D	80.3	Confident	82.5	Confident	19 Å²	19	44.1 Å²	44.1	10%	0.102	25%	0.25	C	S	.	.			trans	-76.6	106.9	163.8	-64.4	-18.4	0	0	0	108.5	C16 Q51 P54 A59	C16-D49 PolarHBondContact O-N 3.13Å; D49-Q51 PolarHBondContact O-N 3.32Å; D49-P54 HydrophobicContact CB-CG 3.97Å; D49-A59 WeakPolarHBondContact OD1-CB 3.37Å
50	R	65.1	Low	82.9	Confident	96 Å²	96	42.4 Å²	42.4	36%	0.362	24%	0.236	S	C	.	.			trans	-72	-21.1	-164.8	-81.7	-165.6	169.2	173.6	-1.7	115.9	R48 Y250 L253 D254	R48-R50 PolarHBondContact O-N 2.93Å; R50-Y250 PolarHBondContact NH1-O 3.36Å; R50-L253 HydrophobicContact CB-CD1 3.79Å; R50-D254 IonicContact CZ-OD1 3.45Å; R50-D254 IonicContact CZ-OD2 3.64Å; R50-D254 IonicContact NH1-OD1 3.76Å; R50-D254 PolarHBondContact NH1-OD1 3.06Å; R50-D254 IonicContact NH1-OD2 3.63Å; R50-D254 PolarHBondContact NH1-OD2 3.13Å; R50-D254 IonicContact NH2-OD2 2.76Å
51	Q	62.4	Low	83.4	Confident	108 Å²	108	39.2 Å²	39.2	51%	0.505	20%	0.203	S	C	.	.	S	Bend	trans	-149.2	134.2	174.7	-76.8	-168.4	-5.9	0	0	112.2	D49 P53 P54 P259	D49-Q51 PolarHBondContact O-N 3.32Å; Q51-P53 CarbonylContact O-C 3.56Å; Q51-P54 WeakPolarHBondContact O-CD 3.23Å; Q51-P54 VanDerWaalsContact O-CG 3.31Å; Q51-P54 WeakPolarHBondContact O-CG 3.49Å; Q51-P54 VanDerWaalsContact O-N 3.13Å; Q51-P259 VanDerWaalsContact OE1-CB 3.28Å; Q51-P259 VanDerWaalsContact OE1-CG 3.22Å
52	E	57.4	Low	83.6	Confident	132 Å²	132	33.5 Å²	33.5	62%	0.617	17%	0.172	S	C	*	.	S	Bend	trans	-83.7	129.9	-176.6	-75.7	-165.5	152.7	0	0	113.9
53	P	57.1	Low	83.8	Confident	82 Å²	82	33.2 Å²	33.2	53%	0.532	17%	0.17	S	C	.	.			cis	-100	130.8	-18.4	10.6	9.9	0	0	0	111.8	Q51 G55 Q261	Q51-P53 CarbonylContact O-C 3.56Å; P53-G55 PolarHBondContact O-N 2.9Å; P53-Q261 WeakPolarHBondContact O-CB 3.38Å; P53-Q261 VanDerWaalsContact O-CD 3.24Å; P53-Q261 WeakPolarHBondContact O-CG 3.32Å
54	P	56.2	Low	83.8	Confident	25 Å²	25	32.6 Å²	32.6	16%	0.162	17%	0.166	C	C	.	.			trans	-80.7	-4.4	172.2	25.2	-11.6	0	0	0	112	D49 Q51 Q261 I262	D49-P54 HydrophobicContact CB-CG 3.97Å; Q51-P54 WeakPolarHBondContact O-CD 3.23Å; Q51-P54 VanDerWaalsContact O-CG 3.31Å; Q51-P54 WeakPolarHBondContact O-CG 3.49Å; Q51-P54 VanDerWaalsContact O-N 3.13Å; P54-Q261 CarbonylContact O-C 3.59Å; P54-Q261 VanDerWaalsContact O-CA 3.29Å; P54-Q261 WeakPolarHBondContact O-CA 3.34Å; P54-I262 PolarHBondContact O-N 2.9Å
55	G	76.3	Confident	83.8	Confident	16 Å²	16	32.1 Å²	32.1	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	75	156.4	-176.9	0	0	0	0	0	112.4	P53 G57 G58 A59 I262	P53-G55 PolarHBondContact O-N 2.9Å; G55-G57 PolarHBondContact O-N 3.42Å; G55-G58 PolarHBondContact O-N 2.69Å; G55-A59 PolarHBondContact O-N 2.9Å; G55-I262 CarbonylContact C-O 3.57Å; G55-I262 VanDerWaalsContact CA-O 3.24Å; G55-I262 WeakPolarHBondContact CA-O 3.47Å
56	S	86.9	Confident	83.8	Confident	45 Å²	45	32.3 Å²	32.3	32%	0.315	17%	0.166	S	C	.	.	H	α-helix	trans	-61.7	-30.2	-176.2	52.4	0	0	0	0	113.5	T60 H94 I262 L264	S56-T60 PolarHBondContact O-N 3.16Å; S56-T60 PolarHBondContact O-OG1 3.16Å; S56-H94 PolarHBondContact O-NE2 2.74Å; S56-I262 PolarHBondContact N-O 3.25Å; S56-L264 WeakPolarHBondContact OG-CB 3.3Å; S56-L264 PolarHBondContact OG-N 3.3Å
57	G	90.2	Very high	83.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-72.9	-42.9	176.2	0	0	0	0	0	111.8	G55 A59 T60 L61 I262 L264	G55-G57 PolarHBondContact O-N 3.42Å; G57-A59 VanDerWaalsContact C-N 3.34Å; G57-A59 PolarHBondContact O-N 3.13Å; G57-T60 WeakPolarHBondContact O-CB 3.48Å; G57-T60 PolarHBondContact O-N 2.74Å; G57-L61 WeakPolarHBondContact O-CG 3.25Å; G57-L61 PolarHBondContact O-N 2.72Å; G57-I262 VanDerWaalsContact CA-O 3.26Å; G57-I262 WeakPolarHBondContact CA-O 3.28Å; G57-I262 PolarHBondContact N-O 3.23Å; G57-L264 VanDerWaalsContact N-N 3.13Å
58	G	90.5	Very high	84.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.9	-45	173.4	0	0	0	0	0	111.9	G55 T60 L61 N62 I262	G55-G58 PolarHBondContact O-N 2.69Å; G58-T60 VanDerWaalsContact C-N 3.32Å; G58-T60 PolarHBondContact O-N 3.28Å; G58-L61 PolarHBondContact O-N 2.83Å; G58-N62 PolarHBondContact O-N 3.03Å; G58-I262 PolarHBondContact N-O 2.88Å
59	A	90.9	Very high	84.5	Confident	3 Å²	3	29.3 Å²	29.3	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-59.9	-39.9	174	0	0	0	0	0	112.5	D49 G55 G57 A63	D49-A59 WeakPolarHBondContact OD1-CB 3.37Å; G55-A59 PolarHBondContact O-N 2.9Å; G57-A59 VanDerWaalsContact C-N 3.34Å; G57-A59 PolarHBondContact O-N 3.13Å; A59-A63 VanDerWaalsContact O-CB 3.24Å; A59-A63 WeakPolarHBondContact O-CB 3.29Å; A59-A63 PolarHBondContact O-N 3.5Å
60	T	94.6	Very high	85.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-47.8	174.4	-62.2	0	0	0	0	111.5	S56 G57 G58 N62 A63 L64 I92 H94 V148 M236	S56-T60 PolarHBondContact O-N 3.16Å; S56-T60 PolarHBondContact O-OG1 3.16Å; G57-T60 WeakPolarHBondContact O-CB 3.48Å; G57-T60 PolarHBondContact O-N 2.74Å; G58-T60 VanDerWaalsContact C-N 3.32Å; G58-T60 PolarHBondContact O-N 3.28Å; T60-N62 PolarHBondContact O-N 3.41Å; T60-A63 PolarHBondContact O-N 2.75Å; T60-L64 WeakPolarHBondContact O-CB 3.5Å; T60-L64 PolarHBondContact O-N 3.04Å; T60-I92 HydrophobicContact CG2-CD1 4.27Å; T60-H94 PolarHBondContact OG1-NE2 2.81Å; T60-V148 HydrophobicContact CG2-CG1 4.38Å; T60-V148 HydrophobicContact CG2-CG2 3.71Å; T60-M236 HydrophobicContact CG2-CE 3.69Å
61	L	94.8	Very high	86.8	Confident	3 Å²	3	28 Å²	28	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-43.5	-179.8	-65	177	0	0	0	111.4	G57 G58 L64 L65 M236 T239 C248	G57-L61 WeakPolarHBondContact O-CG 3.25Å; G57-L61 PolarHBondContact O-N 2.72Å; G58-L61 PolarHBondContact O-N 2.83Å; L61-L64 PolarHBondContact O-N 3.24Å; L61-L65 PolarHBondContact O-N 3.01Å; L61-M236 HydrophobicContact CD2-CB 3.84Å; L61-M236 HydrophobicContact CD2-CE 3.99Å; L61-M236 HydrophobicContact CD2-CG 4.3Å; L61-T239 HydrophobicContact CD1-CG2 4.41Å; L61-T239 HydrophobicContact CD2-CG2 4.38Å; L61-C248 HydrophobicContact CD1-CB 4.26Å
62	N	94.5	Very high	88.4	Confident	8 Å²	8	22.9 Å²	22.9	4%	0.043	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-46.1	176.3	-171.6	49.4	0	0	0	112.2	V47 G58 T60 L64 L65 V66 Y250	V47-N62 WeakPolarHBondContact CG1-ND2 3.23Å; G58-N62 PolarHBondContact O-N 3.03Å; T60-N62 PolarHBondContact O-N 3.41Å; N62-L64 VanDerWaalsContact C-N 3.32Å; N62-L64 PolarHBondContact O-N 3.42Å; N62-L65 WeakPolarHBondContact O-CB 3.33Å; N62-L65 PolarHBondContact O-N 3.41Å; N62-V66 WeakPolarHBondContact O-CG2 3.47Å; N62-V66 PolarHBondContact O-N 2.87Å; N62-Y250 WeakPolarHBondContact OD1-CB 3.21Å; N62-Y250 PolarHBondContact OD1-N 3Å
63	A	95.7	Very high	90.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.1	-40.4	177.2	0	0	0	0	0	112.3	V13 T15 A59 T60 V66 A67 I92	V13-A63 HydrophobicContact CG1-CB 3.87Å; T15-A63 HydrophobicContact CG2-CB 3.95Å; A59-A63 VanDerWaalsContact O-CB 3.24Å; A59-A63 WeakPolarHBondContact O-CB 3.29Å; A59-A63 PolarHBondContact O-N 3.5Å; T60-A63 PolarHBondContact O-N 2.75Å; A63-V66 PolarHBondContact O-N 2.8Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 2.93Å; A63-I92 HydrophobicContact CB-CD1 3.91Å; A63-I92 HydrophobicContact CB-CG1 4.21Å; A63-I92 HydrophobicContact CB-CG2 3.76Å
64	L	97.3	Very high	92.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64.6	-43	175.5	179.8	56.6	0	0	0	111.9	T60 L61 N62 A67 A68 L85 I90 I92 V146 S233 M236 L237	T60-L64 WeakPolarHBondContact O-CB 3.5Å; T60-L64 PolarHBondContact O-N 3.04Å; L61-L64 PolarHBondContact O-N 3.24Å; N62-L64 VanDerWaalsContact C-N 3.32Å; N62-L64 PolarHBondContact O-N 3.42Å; L64-A67 PolarHBondContact O-N 2.95Å; L64-A68 WeakPolarHBondContact O-CB 3.31Å; L64-A68 PolarHBondContact O-N 3.47Å; L64-L85 HydrophobicContact CD1-CD2 4.42Å; L64-I90 HydrophobicContact CD1-CD1 4.23Å; L64-I92 HydrophobicContact CB-CD1 4.25Å; L64-V146 HydrophobicContact CD1-CG2 3.59Å; L64-S233 WeakPolarHBondContact CD2-O 3.48Å; L64-M236 HydrophobicContact CD2-CB 3.83Å; L64-L237 HydrophobicContact CD2-CB 4.38Å; L64-L237 HydrophobicContact CG-CD1 4.49Å
65	L	96.6	Very high	93.8	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-50.6	174.7	174.9	64.6	0	0	0	111.2	L61 N62 A67 A68 E69 V80 L237 H240 T249 Y250 L251	L61-L65 PolarHBondContact O-N 3.01Å; N62-L65 WeakPolarHBondContact O-CB 3.33Å; N62-L65 PolarHBondContact O-N 3.41Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.32Å; L65-A68 PolarHBondContact O-N 2.76Å; L65-E69 WeakPolarHBondContact O-CB 3.39Å; L65-E69 PolarHBondContact O-N 3.27Å; L65-V80 HydrophobicContact CD1-CG1 4.2Å; L65-V80 HydrophobicContact CD1-CG2 4.26Å; L65-L237 HydrophobicContact CB-CD1 4.34Å; L65-L237 HydrophobicContact CD1-CD1 4.02Å; L65-H240 HydrophobicContact CD1-CB 3.98Å; L65-H240 HydrophobicContact CD2-CB 3.87Å; L65-H240 HydrophobicContact CG-CB 4.41Å; L65-T249 HydrophobicContact CD2-CG2 4.06Å; L65-Y250 HydrophobicContact CD2-CD1 4.09Å; L65-Y250 HydrophobicContact CD2-CE1 4.01Å; L65-Y250 HydrophobicContact CG-CE1 4.39Å; L65-L251 HydrophobicContact CD2-CB 4.06Å
66	V	96.6	Very high	94.6	Very high	17 Å²	17	28.2 Å²	28.2	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-40.6	-179.1	178.4	0	0	0	0	111.1	L45 V47 N62 A63 E69 H70 Y250	L45-V66 HydrophobicContact CD1-CG1 4.33Å; V47-V66 HydrophobicContact CG1-CG2 4.16Å; V47-V66 HydrophobicContact CG2-CB 4.05Å; V47-V66 HydrophobicContact CG2-CG1 3.88Å; V47-V66 HydrophobicContact CG2-CG2 4.34Å; N62-V66 WeakPolarHBondContact O-CG2 3.47Å; N62-V66 PolarHBondContact O-N 2.87Å; A63-V66 PolarHBondContact O-N 2.8Å; V66-E69 PolarHBondContact O-N 3.47Å; V66-H70 PolarHBondContact O-N 3.06Å; V66-H70 VanDerWaalsContact O-N 3.1Å; V66-H70 PolarHBondContact O-ND1 2.78Å; V66-Y250 HydrophobicContact CG2-CD1 3.77Å; V66-Y250 HydrophobicContact CG2-CE1 3.88Å
67	A	97.5	Very high	94.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-48.8	174.9	0	0	0	0	0	111.9	V11 V13 L45 A63 L64 L65 E69 H70 L71 I90	V11-A67 HydrophobicContact CG1-CB 4.09Å; V13-A67 HydrophobicContact CG2-CB 4.11Å; L45-A67 HydrophobicContact CD1-CB 4.34Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 2.93Å; L64-A67 PolarHBondContact O-N 2.95Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.32Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 2.86Å; A67-H70 PolarHBondContact O-N 3.4Å; A67-L71 WeakPolarHBondContact O-CB 3.41Å; A67-L71 VanDerWaalsContact O-CG 3.3Å; A67-L71 WeakPolarHBondContact O-CG 3.29Å; A67-L71 PolarHBondContact O-N 3.25Å; A67-I90 HydrophobicContact CB-CD1 4.28Å; A67-I90 HydrophobicContact CB-CG2 4.34Å
68	A	97.2	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-37.4	178.9	0	0	0	0	0	112.1	L64 L65 L71 S72 V80 L237	L64-A68 WeakPolarHBondContact O-CB 3.31Å; L64-A68 PolarHBondContact O-N 3.47Å; L65-A68 PolarHBondContact O-N 2.76Å; A68-L71 PolarHBondContact O-N 3.11Å; A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.32Å; A68-S72 PolarHBondContact O-N 2.77Å; A68-S72 PolarHBondContact O-OG 3.19Å; A68-V80 HydrophobicContact CB-CG1 4Å; A68-L237 HydrophobicContact CB-CD1 3.81Å; A68-L237 HydrophobicContact CB-CD2 3.75Å; A68-L237 HydrophobicContact CB-CG 4.47Å
69	E	96.5	Very high	94.9	Very high	58 Å²	58	43 Å²	43	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-48.9	175.1	-179.4	-178.2	-83.3	0	0	112.2	L65 V66 A67 L71 S72 S73 V80 Y250	L65-E69 WeakPolarHBondContact O-CB 3.39Å; L65-E69 PolarHBondContact O-N 3.27Å; V66-E69 PolarHBondContact O-N 3.47Å; A67-E69 VanDerWaalsContact C-N 3.31Å; A67-E69 PolarHBondContact O-N 2.86Å; E69-L71 VanDerWaalsContact C-N 3.34Å; E69-L71 PolarHBondContact O-N 3.06Å; E69-S72 WeakPolarHBondContact O-CB 3.35Å; E69-S72 PolarHBondContact O-N 3.04Å; E69-S73 WeakPolarHBondContact O-CB 3.42Å; E69-S73 PolarHBondContact O-N 2.8Å; E69-V80 HydrophobicContact CB-CG2 3.93Å; E69-V80 HydrophobicContact CG-CG2 4.19Å; E69-Y250 VanDerWaalsContact CD-OH 3.28Å; E69-Y250 PolarHBondContact OE1-OH 3.17Å; E69-Y250 PolarHBondContact OE2-OH 3.01Å
70	H	97.1	Very high	95	Very high	70 Å²	70	44.9 Å²	44.9	32%	0.324	26%	0.258	S	S	.	.	H	α-helix	trans	-66.1	-37.8	178.4	-75.3	73.6	0	0	0	112.1	L43 L45 V66 A67 R74	L43-H70 HydrophobicContact CD2-CB 3.49Å; L43-H70 VanDerWaalsContact CD2-CB 3.49Å; L45-H70 HydrophobicContact CD1-CB 4.49Å; V66-H70 PolarHBondContact O-N 3.06Å; V66-H70 VanDerWaalsContact O-N 3.1Å; V66-H70 PolarHBondContact O-ND1 2.78Å; A67-H70 PolarHBondContact O-N 3.4Å; H70-R74 WeakPolarHBondContact O-CB 3.49Å; H70-R74 WeakPolarHBondContact O-CG 3.32Å; H70-R74 PolarHBondContact O-N 2.92Å
71	L	96.8	Very high	94.8	Very high	17 Å²	17	46 Å²	46	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-65.3	-42.1	173.6	-71.3	175.9	0	0	0	111.5	T10 V11 A67 A68 E69 S73 R74 A75 V84 A88 I90	T10-L71 HydrophobicContact CG2-CD2 3.95Å; V11-L71 HydrophobicContact CG2-CD1 3.77Å; V11-L71 HydrophobicContact CG2-CD2 3.72Å; V11-L71 HydrophobicContact CG2-CG 3.83Å; A67-L71 WeakPolarHBondContact O-CB 3.41Å; A67-L71 VanDerWaalsContact O-CG 3.3Å; A67-L71 WeakPolarHBondContact O-CG 3.29Å; A67-L71 PolarHBondContact O-N 3.25Å; A68-L71 PolarHBondContact O-N 3.11Å; E69-L71 VanDerWaalsContact C-N 3.34Å; E69-L71 PolarHBondContact O-N 3.06Å; L71-S73 PolarHBondContact O-N 3.36Å; L71-R74 PolarHBondContact O-N 2.93Å; L71-A75 WeakPolarHBondContact O-CB 3.45Å; L71-A75 PolarHBondContact O-N 3.01Å; L71-V84 HydrophobicContact CB-CB 3.85Å; L71-V84 HydrophobicContact CB-CG1 4.36Å; L71-V84 HydrophobicContact CB-CG2 3.72Å; L71-V84 HydrophobicContact CD1-CG2 4.43Å; L71-A88 HydrophobicContact CD1-CB 4.04Å; L71-I90 HydrophobicContact CD1-CD1 4.03Å
72	S	96.1	Very high	94.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-46.7	176.3	-62.7	0	0	0	0	111	A68 E69 A75 G76 Y77 T81	A68-S72 VanDerWaalsContact O-CB 3.23Å; A68-S72 WeakPolarHBondContact O-CB 3.32Å; A68-S72 PolarHBondContact O-N 2.77Å; A68-S72 PolarHBondContact O-OG 3.19Å; E69-S72 WeakPolarHBondContact O-CB 3.35Å; E69-S72 PolarHBondContact O-N 3.04Å; S72-A75 CarbonylContact O-C 3.1Å; S72-A75 PolarHBondContact O-N 2.88Å; S72-G76 PolarHBondContact O-N 2.85Å; S72-G76 VanDerWaalsContact O-N 3.15Å; S72-Y77 WeakPolarHBondContact O-CB 3.32Å; S72-Y77 PolarHBondContact O-N 3.1Å; S72-T81 PolarHBondContact OG-N 3.47Å; S72-T81 VanDerWaalsContact OG-N 3.14Å
73	S	96.2	Very high	94.5	Very high	88 Å²	88	50.1 Å²	50.1	62%	0.615	29%	0.289	S	S	*	.	H	α-helix	trans	-60.7	-45.7	175	178.3	0	0	0	0	112.4	E69 L71 A75 G76	E69-S73 WeakPolarHBondContact O-CB 3.42Å; E69-S73 PolarHBondContact O-N 2.8Å; L71-S73 PolarHBondContact O-N 3.36Å; S73-A75 PolarHBondContact O-N 2.89Å; S73-G76 PolarHBondContact O-N 2.74Å
74	R	94.7	Very high	94.4	Very high	154 Å²	154	51.2 Å²	51.2	58%	0.581	30%	0.296	S	S	*	.	H	α-helix	trans	-61.9	-31.1	175.9	-79.6	-177.9	171	-159.6	-1.9	113.3	L43 H70 L71 G76	L43-R74 VanDerWaalsContact CD1-NH2 3.33Å; H70-R74 WeakPolarHBondContact O-CB 3.49Å; H70-R74 WeakPolarHBondContact O-CG 3.32Å; H70-R74 PolarHBondContact O-N 2.92Å; L71-R74 PolarHBondContact O-N 2.93Å; R74-G76 VanDerWaalsContact C-N 3.31Å
75	A	93.1	Very high	94.3	Very high	61 Å²	61	51.4 Å²	51.4	50%	0.504	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.4	175.7	0	0	0	0	0	113.6	L71 S72 S73 Y77 V84	L71-A75 WeakPolarHBondContact O-CB 3.45Å; L71-A75 PolarHBondContact O-N 3.01Å; S72-A75 CarbonylContact O-C 3.1Å; S72-A75 PolarHBondContact O-N 2.88Å; S73-A75 PolarHBondContact O-N 2.89Å; A75-Y77 HydrophobicContact CB-CD2 3.65Å; A75-Y77 HydrophobicContact CB-CE2 3.59Å; A75-V84 HydrophobicContact CB-CG1 4.01Å
76	G	93	Very high	94.1	Very high	63 Å²	63	54.7 Å²	54.7	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	13.1	176.7	0	0	0	0	0	115.1	S72 S73 R74	S72-G76 PolarHBondContact O-N 2.85Å; S72-G76 VanDerWaalsContact O-N 3.15Å; S73-G76 PolarHBondContact O-N 2.74Å; R74-G76 VanDerWaalsContact C-N 3.31Å
77	Y	92.7	Very high	93.8	Very high	112 Å²	112	60.6 Å²	60.6	44%	0.439	35%	0.345	S	S	.	.			trans	-78.4	148.3	173.8	-61.4	-73	0	0	0	111.5	S72 A75 T81 V84	S72-Y77 WeakPolarHBondContact O-CB 3.32Å; S72-Y77 PolarHBondContact O-N 3.1Å; A75-Y77 HydrophobicContact CB-CD2 3.65Å; A75-Y77 HydrophobicContact CB-CE2 3.59Å; Y77-T81 HydrophobicContact CD1-CG2 4.25Å; Y77-T81 HydrophobicContact CD2-CG2 3.56Å; Y77-T81 HydrophobicContact CE1-CG2 4.39Å; Y77-T81 HydrophobicContact CE2-CG2 3.71Å; Y77-T81 HydrophobicContact CG-CG2 3.84Å; Y77-V84 HydrophobicContact CD2-CG1 4.06Å; Y77-V84 HydrophobicContact CE2-CG1 3.87Å
78	T	90.6	Very high	93.7	Very high	142 Å²	142	60.7 Å²	60.7	87%	0.871	35%	0.346	S	S	*	.	S	Bend	trans	-94.1	-6.4	177	57.2	0	0	0	0	113.6
79	V	91	Very high	93.7	Very high	103 Å²	103	62.1 Å²	62.1	62%	0.624	35%	0.353	S	S	*	.	S	Bend	trans	-136.7	158.1	179	-63.3	0	0	0	0	109.2	T81	V79-T81 PolarHBondContact O-N 3.25Å
80	V	92.2	Very high	93.7	Very high	41 Å²	41	59.3 Å²	59.3	25%	0.248	34%	0.34	C	S	.	.			trans	-65.5	122.6	173.2	-177.1	0	0	0	0	108.9	L65 A68 E69 L237	L65-V80 HydrophobicContact CD1-CG1 4.2Å; L65-V80 HydrophobicContact CD1-CG2 4.26Å; A68-V80 HydrophobicContact CB-CG1 4Å; E69-V80 HydrophobicContact CB-CG2 3.93Å; E69-V80 HydrophobicContact CG-CG2 4.19Å; V80-L237 HydrophobicContact CG1-CD1 4.24Å; V80-L237 HydrophobicContact CG1-CD2 4.2Å
81	T	91.2	Very high	93.8	Very high	25 Å²	25	56 Å²	56	15%	0.153	32%	0.324	C	S	.	.			trans	-118.7	152	173.4	-179.7	0	0	0	0	110.5	S72 Y77 V79 D83 V84	S72-T81 PolarHBondContact OG-N 3.47Å; S72-T81 VanDerWaalsContact OG-N 3.14Å; Y77-T81 HydrophobicContact CD1-CG2 4.25Å; Y77-T81 HydrophobicContact CD2-CG2 3.56Å; Y77-T81 HydrophobicContact CE1-CG2 4.39Å; Y77-T81 HydrophobicContact CE2-CG2 3.71Å; Y77-T81 HydrophobicContact CG-CG2 3.84Å; V79-T81 PolarHBondContact O-N 3.25Å; T81-D83 VanDerWaalsContact C-N 3.33Å; T81-D83 HydrophobicContact CG2-CB 4.24Å; T81-D83 VanDerWaalsContact OG1-CG 3.25Å; T81-D83 PolarHBondContact OG1-N 2.82Å; T81-D83 PolarHBondContact OG1-OD2 3.12Å; T81-V84 HydrophobicContact CG2-CG1 4.06Å; T81-V84 WeakPolarHBondContact O-CG2 3.23Å
82	A	91	Very high	93.8	Very high	17 Å²	17	55.2 Å²	55.2	14%	0.14	32%	0.32	C	S	.	.	S	Bend	trans	-80.3	-15.4	172.3	0	0	0	0	0	112.8	V84 L85 E234 L237	A82-V84 PolarHBondContact O-N 3.06Å; A82-L85 VanDerWaalsContact O-CB 3.25Å; A82-L85 WeakPolarHBondContact O-CB 3.38Å; A82-L85 WeakPolarHBondContact O-CG 3.37Å; A82-L85 PolarHBondContact O-N 3.49Å; A82-E234 HydrophobicContact CB-CB 4.14Å; A82-E234 HydrophobicContact CB-CG 3.64Å; A82-L237 HydrophobicContact CB-CD2 4.21Å
83	D	91.9	Very high	93.8	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-60.5	-29.3	-177.1	-56.7	-35.5	0	0	0	112.2	T81 L85 D86	T81-D83 VanDerWaalsContact C-N 3.33Å; T81-D83 HydrophobicContact CG2-CB 4.24Å; T81-D83 VanDerWaalsContact OG1-CG 3.25Å; T81-D83 PolarHBondContact OG1-N 2.82Å; T81-D83 PolarHBondContact OG1-OD2 3.12Å; D83-L85 PolarHBondContact O-N 2.93Å; D83-L85 VanDerWaalsContact O-N 3.09Å; D83-D86 WeakPolarHBondContact O-CB 3.16Å; D83-D86 PolarHBondContact O-N 3.17Å; D83-D86 VanDerWaalsContact O-N 3.13Å
84	V	93.5	Very high	93.6	Very high	23 Å²	23	51.6 Å²	51.6	14%	0.139	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-67.4	-7.1	176.2	-63.1	0	0	0	0	114	L71 A75 Y77 T81 A82 A88	L71-V84 HydrophobicContact CB-CB 3.85Å; L71-V84 HydrophobicContact CB-CG1 4.36Å; L71-V84 HydrophobicContact CB-CG2 3.72Å; L71-V84 HydrophobicContact CD1-CG2 4.43Å; A75-V84 HydrophobicContact CB-CG1 4.01Å; Y77-V84 HydrophobicContact CD2-CG1 4.06Å; Y77-V84 HydrophobicContact CE2-CG1 3.87Å; T81-V84 HydrophobicContact CG2-CG1 4.06Å; T81-V84 WeakPolarHBondContact O-CG2 3.23Å; A82-V84 PolarHBondContact O-N 3.06Å; V84-A88 WeakPolarHBondContact O-CB 3.24Å
85	L	94.4	Very high	93.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-85.5	-9.1	174.7	-56.1	-179.5	0	0	0	113.1	L64 A82 D83 D87 A88 I90 R230 L237	L64-L85 HydrophobicContact CD1-CD2 4.42Å; A82-L85 VanDerWaalsContact O-CB 3.25Å; A82-L85 WeakPolarHBondContact O-CB 3.38Å; A82-L85 WeakPolarHBondContact O-CG 3.37Å; A82-L85 PolarHBondContact O-N 3.49Å; D83-L85 PolarHBondContact O-N 2.93Å; D83-L85 VanDerWaalsContact O-N 3.09Å; L85-D87 VanDerWaalsContact C-N 3.31Å; L85-D87 PolarHBondContact O-N 3.43Å; L85-A88 PolarHBondContact O-N 3.48Å; L85-I90 HydrophobicContact CD2-CD1 3.61Å; L85-R230 HydrophobicContact CB-CG 4.31Å; L85-L237 HydrophobicContact CD1-CD2 4.35Å
86	D	92.1	Very high	92.6	Very high	71 Å²	71	42.7 Å²	42.7	38%	0.38	25%	0.254	S	S	.	.	S	Bend	trans	-61.6	-36.7	-174	-75.1	-11.2	0	0	0	113.2	D83 P144 R230	D83-D86 WeakPolarHBondContact O-CB 3.16Å; D83-D86 PolarHBondContact O-N 3.17Å; D83-D86 VanDerWaalsContact O-N 3.13Å; D86-P144 WeakPolarHBondContact O-CB 3.11Å; D86-P144 WeakPolarHBondContact O-CG 3.36Å; D86-R230 IonicContact OD1-CZ 3.6Å; D86-R230 IonicContact OD1-NE 3.99Å; D86-R230 PolarHBondContact OD1-NE 2.9Å; D86-R230 IonicContact OD1-NH2 3.66Å; D86-R230 PolarHBondContact OD1-NH2 2.99Å; D86-R230 IonicContact OD2-NH2 3.68Å
87	D	91.1	Very high	92	Very high	141 Å²	141	48 Å²	48	75%	0.754	25%	0.254	S	S	*	.	S	Bend	trans	-119.7	10.8	-179.9	-65.9	-48.2	0	0	0	112.8	L85	L85-D87 VanDerWaalsContact C-N 3.31Å; L85-D87 PolarHBondContact O-N 3.43Å
88	A	95.3	Very high	91.6	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.025	24%	0.242	C	C	.	.			trans	-92.3	129.6	-173.4	0	0	0	0	0	112.9	T10 L71 V84 L85 I90 P144 G145	T10-A88 HydrophobicContact CG2-CB 4.3Å; L71-A88 HydrophobicContact CD1-CB 4.04Å; V84-A88 WeakPolarHBondContact O-CB 3.24Å; L85-A88 PolarHBondContact O-N 3.48Å; A88-I90 HydrophobicContact CB-CD1 4.3Å; A88-I90 HydrophobicContact CB-CG1 4.06Å; A88-P144 CarbonylContact O-C 3.58Å; A88-P144 WeakPolarHBondContact O-CA 3.28Å; A88-G145 PolarHBondContact O-N 2.72Å
89	H	96.6	Very high	91.6	Very high	29 Å²	29	37.5 Å²	37.5	13%	0.134	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	101.4	164.4	-64.7	98.5	0	0	0	109.1	F7 W9 T10 V11 S142	F7-H89 HydrophobicContact CE1-CB 3.9Å; F7-H89 HydrophobicContact CZ-CB 4.22Å; F7-H89 AromaticContact CZ-CD2 3.41Å; F7-H89 VanDerWaalsContact CZ-CD2 3.41Å; F7-H89 WeakPolarHBondContact CZ-CD2 3.35Å; F7-H89 AromaticContact CZ-CG 3.82Å; F7-H89 AromaticContact CZ-NE2 3.94Å; W9-H89 HydrophobicContact CE3-CB 4.26Å; T10-H89 PolarHBondContact N-O 2.77Å; T10-H89 PolarHBondContact OG1-N 3.28Å; V11-H89 PolarHBondContact N-O 3.47Å; H89-S142 PolarHBondContact NE2-O 3.28Å; H89-S142 VanDerWaalsContact NE2-O 3.15Å
90	I	97.9	Very high	91.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.6	-176.9	-57.8	178	0	0	0	109	V11 L64 A67 L71 L85 A88 I92 G145 V146 W147	V11-I90 HydrophobicContact CB-CG1 4.2Å; V11-I90 HydrophobicContact CB-CG2 4.26Å; V11-I90 HydrophobicContact CG2-CG1 4.22Å; V11-I90 WeakPolarHBondContact O-CA 3.28Å; L64-I90 HydrophobicContact CD1-CD1 4.23Å; A67-I90 HydrophobicContact CB-CD1 4.28Å; A67-I90 HydrophobicContact CB-CG2 4.34Å; L71-I90 HydrophobicContact CD1-CD1 4.03Å; L85-I90 HydrophobicContact CD2-CD1 3.61Å; A88-I90 HydrophobicContact CB-CD1 4.3Å; A88-I90 HydrophobicContact CB-CG1 4.06Å; I90-I92 HydrophobicContact CG2-CG1 4.12Å; I90-G145 PolarHBondContact N-O 2.7Å; I90-V146 HydrophobicContact CB-CG2 4.17Å; I90-V146 HydrophobicContact CD1-CG2 4.3Å; I90-V146 HydrophobicContact CG2-CG1 4.38Å; I90-V146 CarbonylContact O-C 3.47Å; I90-V146 WeakPolarHBondContact O-CA 3.44Å; I90-W147 PolarHBondContact O-N 2.86Å
91	L	97.7	Very high	91.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.9	169.9	179.4	59	0	0	0	109.8	W9 V11 V12 V13 L93 L131 L134 W147	W9-L91 HydrophobicContact CD2-CB 4.07Å; W9-L91 HydrophobicContact CD2-CD2 4.42Å; W9-L91 HydrophobicContact CE3-CB 3.62Å; W9-L91 HydrophobicContact CH2-CB 3.96Å; W9-L91 HydrophobicContact CH2-CD1 4.1Å; W9-L91 HydrophobicContact CH2-CD2 4.26Å; W9-L91 HydrophobicContact CH2-CG 4.32Å; W9-L91 HydrophobicContact CZ2-CB 4.38Å; W9-L91 HydrophobicContact CZ2-CD2 3.98Å; W9-L91 HydrophobicContact CZ3-CB 3.57Å; W9-L91 HydrophobicContact CZ3-CD1 4.46Å; W9-L91 HydrophobicContact CZ3-CG 4.41Å; V11-L91 PolarHBondContact O-N 3.14Å; V12-L91 CarbonylContact C-O 3.59Å; V12-L91 WeakPolarHBondContact CA-O 3.46Å; V12-L91 HydrophobicContact CG1-CD2 4.33Å; V12-L91 HydrophobicContact CG2-CB 4.43Å; V13-L91 PolarHBondContact N-O 2.96Å; L91-L93 HydrophobicContact CD1-CD2 4.06Å; L91-L93 HydrophobicContact CD1-CG 4.39Å; L91-L93 HydrophobicContact CD2-CD1 4.06Å; L91-L93 HydrophobicContact CD2-CD2 4.21Å; L91-L93 HydrophobicContact CD2-CG 4.16Å; L91-L93 HydrophobicContact CG-CD1 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.12Å; L91-L93 HydrophobicContact CG-CG 3.95Å; L91-L131 HydrophobicContact CD2-CD2 3.64Å; L91-L134 HydrophobicContact CD1-CD1 3.9Å; L91-L134 HydrophobicContact CD2-CD1 4.09Å; L91-W147 CarbonylContact C-O 3.39Å; L91-W147 WeakPolarHBondContact CA-O 3.36Å; L91-W147 HydrophobicContact CD1-CB 3.71Å
92	I	97.5	Very high	91.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.6	173.1	-58.4	173.7	0	0	0	108.3	V13 T15 T60 A63 L64 I90 V146 W147 V148 C149	V13-I92 HydrophobicContact CB-CG1 4.27Å; V13-I92 HydrophobicContact CG2-CG1 4.38Å; T15-I92 HydrophobicContact CG2-CG2 4.27Å; T60-I92 HydrophobicContact CG2-CD1 4.27Å; A63-I92 HydrophobicContact CB-CD1 3.91Å; A63-I92 HydrophobicContact CB-CG1 4.21Å; A63-I92 HydrophobicContact CB-CG2 3.76Å; L64-I92 HydrophobicContact CB-CD1 4.25Å; I90-I92 HydrophobicContact CG2-CG1 4.12Å; I92-V146 HydrophobicContact CD1-CG1 3.63Å; I92-V146 HydrophobicContact CG1-CG1 4.12Å; I92-W147 PolarHBondContact N-O 3.03Å; I92-V148 HydrophobicContact CB-CG2 4.36Å; I92-V148 HydrophobicContact CD1-CG2 4.47Å; I92-V148 CarbonylContact O-C 3.59Å; I92-V148 WeakPolarHBondContact O-CA 3.3Å; I92-C149 PolarHBondContact O-N 3.08Å
93	L	95.3	Very high	91.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.1	-179	-64.5	169.7	0	0	0	110	V12 V13 L14 T15 L91 L127 L130 L131 C149 T151	V12-L93 HydrophobicContact CG1-CD1 4.15Å; V13-L93 PolarHBondContact O-N 3.35Å; L14-L93 HydrophobicContact CD1-CB 3.68Å; T15-L93 PolarHBondContact N-O 3.34Å; T15-L93 PolarHBondContact OG1-O 2.74Å; L91-L93 HydrophobicContact CD1-CD2 4.06Å; L91-L93 HydrophobicContact CD1-CG 4.39Å; L91-L93 HydrophobicContact CD2-CD1 4.06Å; L91-L93 HydrophobicContact CD2-CD2 4.21Å; L91-L93 HydrophobicContact CD2-CG 4.16Å; L91-L93 HydrophobicContact CG-CD1 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.12Å; L91-L93 HydrophobicContact CG-CG 3.95Å; L93-L127 HydrophobicContact CD1-CD1 3.51Å; L93-L130 HydrophobicContact CD2-CD2 3.87Å; L93-L131 HydrophobicContact CD1-CD2 4.16Å; L93-C149 CarbonylContact C-O 3.52Å; L93-C149 VanDerWaalsContact CA-O 3.32Å; L93-C149 WeakPolarHBondContact CA-O 3.4Å; L93-C149 HydrophobicContact CD2-CB 3.93Å; L93-T151 HydrophobicContact CB-CG2 4.04Å; L93-T151 HydrophobicContact CD2-CG2 4.49Å
94	H	92.2	Very high	91.3	Very high	15 Å²	15	25.6 Å²	25.6	7%	0.069	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.7	176.5	-68.1	-57.8	0	0	0	111.7	T15 S56 T60 G96 C149 T151	T15-H94 VanDerWaalsContact OG1-CA 3.31Å; T15-H94 WeakPolarHBondContact OG1-CA 3.29Å; T15-H94 PolarHBondContact OG1-ND1 3.2Å; S56-H94 PolarHBondContact O-NE2 2.74Å; T60-H94 PolarHBondContact OG1-NE2 2.81Å; H94-G96 PolarHBondContact O-N 3.36Å; H94-C149 PolarHBondContact N-O 3.21Å; H94-T151 PolarHBondContact O-N 3.47Å; H94-T151 PolarHBondContact O-OG1 2.79Å
95	T	87.1	Confident	91	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.031	13%	0.126	C	C	.	.			trans	-67.9	-15.1	177.5	53.9	0	0	0	0	113.5	L14 T15 F25 S105 A107 T151	L14-T95 HydrophobicContact CD1-CG2 3.6Å; L14-T95 HydrophobicContact CD2-CG2 4.26Å; L14-T95 HydrophobicContact CG-CG2 3.83Å; T15-T95 WeakPolarHBondContact O-CB 3.39Å; T15-T95 WeakPolarHBondContact O-CG2 3.47Å; T15-T95 PolarHBondContact O-OG1 3Å; F25-T95 HydrophobicContact CD2-CG2 4.32Å; F25-T95 HydrophobicContact CE2-CG2 4.05Å; T95-S105 WeakPolarHBondContact CB-OG 3.33Å; T95-S105 PolarHBondContact O-OG 2.83Å; T95-A107 HydrophobicContact CG2-CB 4.5Å; T95-T151 WeakPolarHBondContact CA-OG1 3.25Å
96	G	80.1	Confident	90.9	Very high	22 Å²	22	25 Å²	25	23%	0.227	13%	0.126	C	C	.	.			trans	65.4	-161.5	-175.9	0	0	0	0	0	112.4	Q17 H94	Q17-G96 PolarHBondContact NE2-O 3.42Å; Q17-G96 VanDerWaalsContact NE2-O 3.14Å; Q17-G96 PolarHBondContact OE1-O 2.81Å; H94-G96 PolarHBondContact O-N 3.36Å
97	R	80.4	Confident	90.8	Very high	174 Å²	174	21.7 Å²	21.7	66%	0.657	11%	0.108	S	C	*	.	S	Bend	trans	-73.7	164.7	178.1	-69.8	178.2	-88.3	-172.7	-5.3	111.8	R106	R97-R106 PolarHBondContact O-NH1 2.91Å
98	D	85.4	Confident	90.9	Very high	33 Å²	33	15 Å²	15	18%	0.176	7%	0.072	C	C	.	.			trans	-52.3	152.8	171.5	-66.5	-32.6	0	0	0	113.1	H18 R106 L532	H18-D98 IonicContact CD2-OD1 3.56Å; H18-D98 IonicContact CE1-OD2 2.78Å; H18-D98 IonicContact NE2-OD1 3.38Å; H18-D98 PolarHBondContact NE2-OD1 3.25Å; H18-D98 IonicContact NE2-OD2 3.84Å; H18-D98 PolarHBondContact NE2-OD2 3.48Å; D98-R106 PolarHBondContact O-NH1 3.34Å; D98-L532 HydrophobicContact CB-CB 4.29Å; D98-L532 HydrophobicContact CB-CD1 4.41Å
99	F	90.9	Very high	90.8	Very high	2 Å²	2	15 Å²	15	1%	0.009	7%	0.072	C	C	.	.			trans	-128.7	112.5	-175.5	-170.2	-138.4	0	0	0	110.9	W101 S102 R106 L329 T330 H336	F99-W101 HydrophobicContact CD1-CB 4.34Å; F99-W101 HydrophobicContact CE1-CB 3.82Å; F99-W101 HydrophobicContact CE1-CG 4.48Å; F99-W101 HydrophobicContact CE2-CB 4.28Å; F99-W101 AromaticContact CE2-CD1 3.31Å; F99-W101 HydrophobicContact CE2-CG 4.08Å; F99-W101 HydrophobicContact CZ-CB 3.81Å; F99-W101 AromaticContact CZ-CD1 3.44Å; F99-W101 VanDerWaalsContact CZ-CD1 3.44Å; F99-W101 AromaticContact CZ-CG 4Å; F99-W101 HydrophobicContact CZ-CG 4Å; F99-W101 PolarHBondContact O-N 2.81Å; F99-W101 VanDerWaalsContact O-N 3.09Å; F99-S102 CarbonylContact O-C 3.54Å; F99-S102 PolarHBondContact O-N 2.78Å; F99-R106 HydrophobicContact CB-CG 3.79Å; F99-R106 HydrophobicContact CD1-CG 3.75Å; F99-R106 HydrophobicContact CD2-CG 4Å; F99-R106 VanDerWaalsContact CD2-NH2 3.32Å; F99-R106 HydrophobicContact CE1-CG 4.3Å; F99-R106 HydrophobicContact CE2-CG 4.48Å; F99-R106 HydrophobicContact CG-CG 3.58Å; F99-L329 HydrophobicContact CE1-CD2 4Å; F99-L329 HydrophobicContact CE2-CB 4.21Å; F99-L329 HydrophobicContact CZ-CB 4.09Å; F99-L329 HydrophobicContact CZ-CD2 4.06Å; F99-T330 WeakPolarHBondContact CE2-O 3.34Å; F99-H336 AromaticContact CZ-ND1 3.75Å
100	P	91.6	Very high	90.6	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.026	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-31.4	-177.2	-26.4	33.3	0	0	0	114.3	L331 Q423 L446 L528 L532	P100-L331 VanDerWaalsContact CD-CD2 3.48Å; P100-L331 HydrophobicContact CG-CD2 3.93Å; P100-Q423 PolarHBondContact O-NE2 2.69Å; P100-Q423 PolarHBondContact O-OE1 3.36Å; P100-L446 HydrophobicContact CB-CD1 4.05Å; P100-L446 HydrophobicContact CG-CD1 3.67Å; P100-L528 HydrophobicContact CB-CD2 4.38Å; P100-L532 HydrophobicContact CB-CD1 4.36Å; P100-L532 HydrophobicContact CG-CD1 3.99Å
101	W	93.3	Very high	90.4	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.008	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.9	-171.9	-39.2	130.1	0	0	0	113.9	F99 L331 S332 H336 Q384 I421 V440 L446	F99-W101 HydrophobicContact CD1-CB 4.34Å; F99-W101 HydrophobicContact CE1-CB 3.82Å; F99-W101 HydrophobicContact CE1-CG 4.48Å; F99-W101 HydrophobicContact CE2-CB 4.28Å; F99-W101 AromaticContact CE2-CD1 3.31Å; F99-W101 HydrophobicContact CE2-CG 4.08Å; F99-W101 HydrophobicContact CZ-CB 3.81Å; F99-W101 AromaticContact CZ-CD1 3.44Å; F99-W101 VanDerWaalsContact CZ-CD1 3.44Å; F99-W101 AromaticContact CZ-CG 4Å; F99-W101 HydrophobicContact CZ-CG 4Å; F99-W101 PolarHBondContact O-N 2.81Å; F99-W101 VanDerWaalsContact O-N 3.09Å; W101-L331 WeakPolarHBondContact CZ2-O 3.25Å; W101-L331 PolarHBondContact NE1-O 2.91Å; W101-S332 PolarHBondContact NE1-O 3.34Å; W101-H336 HydrophobicContact CB-CB 4.35Å; W101-H336 VanDerWaalsContact CB-CD2 3.41Å; W101-H336 WeakPolarHBondContact CB-CD2 3.47Å; W101-H336 AromaticContact CD1-CG 3.81Å; W101-H336 HydrophobicContact CG-CB 4.01Å; W101-H336 AromaticContact CG-CD2 3.92Å; W101-H336 AromaticContact CG-CG 3.85Å; W101-Q384 PolarHBondContact O-NE2 2.99Å; W101-I421 HydrophobicContact CE3-CD1 4.09Å; W101-I421 HydrophobicContact CE3-CG2 4.39Å; W101-I421 HydrophobicContact CH2-CD1 4.03Å; W101-I421 HydrophobicContact CZ3-CD1 3.68Å; W101-I421 HydrophobicContact CZ3-CG2 4.19Å; W101-V440 HydrophobicContact CH2-CG2 3.89Å; W101-V440 HydrophobicContact CZ3-CG2 3.76Å; W101-L446 HydrophobicContact CH2-CD1 4.07Å; W101-L446 HydrophobicContact CH2-CD2 4.3Å; W101-L446 HydrophobicContact CZ2-CD1 3.86Å; W101-L446 HydrophobicContact CZ2-CG 4.44Å
102	S	89.9	Confident	90.1	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	7%	0.069	C	C	.	.			trans	-145.4	111.5	169	-166.2	0	0	0	0	110.6	F99 C104 S105 R544	F99-S102 CarbonylContact O-C 3.54Å; F99-S102 PolarHBondContact O-N 2.78Å; S102-C104 PolarHBondContact O-N 2.98Å; S102-C104 VanDerWaalsContact O-N 3.07Å; S102-S105 PolarHBondContact O-N 2.83Å; S102-R544 PolarHBondContact OG-NH2 2.97Å
103	P	86.4	Confident	89.7	Confident	9 Å²	9	17.8 Å²	17.8	6%	0.058	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.8	-171.9	16.7	-28.8	0	0	0	114.7	S105 T535 Q537 E540	P103-S105 PolarHBondContact O-N 2.83Å; P103-T535 HydrophobicContact CB-CG2 3.58Å; P103-Q537 PolarHBondContact O-NE2 2.89Å; P103-E540 HydrophobicContact CB-CG 4.05Å; P103-E540 HydrophobicContact CG-CB 4.37Å; P103-E540 HydrophobicContact CG-CG 3.92Å
104	C	88.3	Confident	89.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	44.2	-176.4	-51.4	0	0	0	0	112.2	F25 S102 F108 E540 L541	F25-C104 HydrophobicContact CE1-CB 4.41Å; S102-C104 PolarHBondContact O-N 2.98Å; S102-C104 VanDerWaalsContact O-N 3.07Å; C104-F108 HydrophobicContact CB-CB 4.43Å; C104-F108 VanDerWaalsContact O-CD2 3.28Å; C104-F108 WeakPolarHBondContact O-CD2 3.23Å; C104-E540 WeakPolarHBondContact SG-CB 3.49Å; C104-L541 HydrophobicContact CB-CD2 3.95Å; C104-L541 HydrophobicContact CB-CG 4.19Å
105	S	87.7	Confident	88.5	Confident	8 Å²	8	23.4 Å²	23.4	6%	0.056	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	160.8	-174.3	178.5	0	0	0	0	115.2	T95 S102 P103 A107 F108	T95-S105 WeakPolarHBondContact CB-OG 3.33Å; T95-S105 PolarHBondContact O-OG 2.83Å; S102-S105 PolarHBondContact O-N 2.83Å; P103-S105 PolarHBondContact O-N 2.83Å; S105-A107 PolarHBondContact O-N 2.96Å; S105-A107 PolarHBondContact OG-N 3.49Å; S105-F108 PolarHBondContact O-N 3Å
106	R	91.3	Very high	87.7	Confident	7 Å²	7	29.2 Å²	29.2	3%	0.026	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-35.1	170.8	-70.4	172.5	175.6	73	1	112.2	R97 D98 F99 F108 C109 V126 T151 L329	R97-R106 PolarHBondContact O-NH1 2.91Å; D98-R106 PolarHBondContact O-NH1 3.34Å; F99-R106 HydrophobicContact CB-CG 3.79Å; F99-R106 HydrophobicContact CD1-CG 3.75Å; F99-R106 HydrophobicContact CD2-CG 4Å; F99-R106 VanDerWaalsContact CD2-NH2 3.32Å; F99-R106 HydrophobicContact CE1-CG 4.3Å; F99-R106 HydrophobicContact CE2-CG 4.48Å; F99-R106 HydrophobicContact CG-CG 3.58Å; R106-F108 VanDerWaalsContact C-N 3.25Å; R106-F108 PolarHBondContact O-N 3.18Å; R106-C109 VanDerWaalsContact O-CB 3.31Å; R106-C109 WeakPolarHBondContact O-CB 3.23Å; R106-C109 PolarHBondContact O-N 2.94Å; R106-C109 VanDerWaalsContact O-N 3.13Å; R106-V126 WeakPolarHBondContact O-CB 3.17Å; R106-T151 WeakPolarHBondContact CB-O 3.3Å; R106-L329 HydrophobicContact CB-CD2 4.05Å; R106-L329 HydrophobicContact CG-CB 4.02Å; R106-L329 HydrophobicContact CG-CD2 4.03Å; R106-L329 PolarHBondContact NE-O 3.09Å; R106-L329 PolarHBondContact NH2-O 2.95Å; R106-L329 VanDerWaalsContact NH2-O 3.16Å
107	A	91.6	Very high	87.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-43.4	-179.5	0	0	0	0	0	112.3	T95 S105 C125 L127 T151	T95-A107 HydrophobicContact CG2-CB 4.5Å; S105-A107 PolarHBondContact O-N 2.96Å; S105-A107 PolarHBondContact OG-N 3.49Å; A107-C125 WeakPolarHBondContact O-CB 3.47Å; A107-L127 HydrophobicContact CB-CB 4.27Å; A107-L127 VanDerWaalsContact O-CB 3.27Å; A107-L127 WeakPolarHBondContact O-CB 3.29Å; A107-L127 PolarHBondContact O-N 3.24Å; A107-T151 HydrophobicContact CB-CG2 4.08Å
108	F	92.6	Very high	87.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	26.2	-176.2	-54.8	-68.3	0	0	0	112.5	L14 F25 E28 C104 S105 R106 W110 L127 R544	L14-F108 HydrophobicContact CD2-CE2 4.01Å; L14-F108 HydrophobicContact CD2-CZ 3.76Å; F25-F108 HydrophobicContact CB-CE2 4.16Å; F25-F108 HydrophobicContact CB-CZ 4.37Å; F25-F108 AromaticContact CD1-CD2 3.91Å; F25-F108 HydrophobicContact CD1-CD2 3.91Å; F25-F108 AromaticContact CD1-CE2 3.37Å; F25-F108 HydrophobicContact CD1-CE2 3.37Å; F25-F108 HydrophobicContact CD1-CZ 4.23Å; F25-F108 AromaticContact CD2-CE2 3.97Å; F25-F108 HydrophobicContact CD2-CE2 3.97Å; F25-F108 AromaticContact CE1-CD2 3.72Å; F25-F108 HydrophobicContact CE1-CD2 3.72Å; F25-F108 AromaticContact CE1-CE2 3.63Å; F25-F108 HydrophobicContact CE1-CE2 3.63Å; F25-F108 HydrophobicContact CE2-CE2 4.19Å; F25-F108 HydrophobicContact CG-CD2 4.47Å; F25-F108 AromaticContact CG-CE2 3.56Å; F25-F108 HydrophobicContact CG-CE2 3.56Å; F25-F108 HydrophobicContact CG-CZ 4.25Å; F25-F108 HydrophobicContact CZ-CD2 4.11Å; F25-F108 HydrophobicContact CZ-CE2 4.03Å; E28-F108 HydrophobicContact CB-CD1 4.36Å; E28-F108 HydrophobicContact CB-CE1 3.57Å; E28-F108 HydrophobicContact CB-CZ 3.7Å; E28-F108 HydrophobicContact CG-CD1 4.32Å; E28-F108 HydrophobicContact CG-CE1 3.98Å; E28-F108 HydrophobicContact CG-CZ 4.2Å; C104-F108 HydrophobicContact CB-CB 4.43Å; C104-F108 VanDerWaalsContact O-CD2 3.28Å; C104-F108 WeakPolarHBondContact O-CD2 3.23Å; S105-F108 PolarHBondContact O-N 3Å; R106-F108 VanDerWaalsContact C-N 3.25Å; R106-F108 PolarHBondContact O-N 3.18Å; F108-W110 VanDerWaalsContact O-CD1 3.28Å; F108-W110 PolarHBondContact O-N 3.13Å; F108-L127 HydrophobicContact CD1-CD2 4.46Å; F108-L127 HydrophobicContact CE1-CD2 3.69Å; F108-L127 HydrophobicContact CZ-CD2 4.12Å; F108-R544 PolarHBondContact O-NH1 2.85Å
109	C	93.1	Very high	87.2	Confident	3 Å²	3	31 Å²	31	2%	0.02	18%	0.177	C	C	.	.			trans	-71.9	117.1	165.3	-172.1	0	0	0	0	109.1	R106 C125 V126 L329	R106-C109 VanDerWaalsContact O-CB 3.31Å; R106-C109 WeakPolarHBondContact O-CB 3.23Å; R106-C109 PolarHBondContact O-N 2.94Å; R106-C109 VanDerWaalsContact O-N 3.13Å; C109-C125 WeakPolarHBondContact O-CA 3.3Å; C109-C125 WeakPolarHBondContact O-CB 3.19Å; C109-V126 HydrophobicContact CB-CG2 3.96Å; C109-V126 PolarHBondContact O-N 2.89Å; C109-V126 VanDerWaalsContact O-N 3.13Å; C109-L329 HydrophobicContact CB-CD2 4.47Å
110	W	93.4	Very high	87.2	Confident	17 Å²	17	31.6 Å²	31.6	6%	0.064	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-76.2	139.1	179.7	-68.6	23.8	0	0	0	109.6	F108 P123 L350 I367 N368 H385 R544 L548	F108-W110 VanDerWaalsContact O-CD1 3.28Å; F108-W110 PolarHBondContact O-N 3.13Å; W110-P123 HydrophobicContact CD2-CB 3.33Å; W110-P123 HydrophobicContact CD2-CG 4.16Å; W110-P123 VanDerWaalsContact CE2-CB 3.4Å; W110-P123 HydrophobicContact CE3-CB 3.45Å; W110-P123 VanDerWaalsContact CE3-CB 3.45Å; W110-P123 HydrophobicContact CE3-CG 4.4Å; W110-P123 HydrophobicContact CG-CB 3.96Å; W110-P123 HydrophobicContact CH2-CB 3.78Å; W110-P123 HydrophobicContact CH2-CG 3.86Å; W110-P123 HydrophobicContact CZ2-CB 3.67Å; W110-P123 HydrophobicContact CZ2-CG 3.57Å; W110-P123 HydrophobicContact CZ3-CB 3.62Å; W110-P123 HydrophobicContact CZ3-CG 4.22Å; W110-L350 HydrophobicContact CE3-CD1 4.44Å; W110-L350 HydrophobicContact CZ3-CD1 3.99Å; W110-I367 HydrophobicContact CB-CG2 3.98Å; W110-I367 HydrophobicContact CE3-CG2 4.27Å; W110-N368 HydrophobicContact CE3-CB 3.54Å; W110-N368 HydrophobicContact CH2-CB 4.1Å; W110-N368 WeakPolarHBondContact CH2-OD1 3.09Å; W110-N368 HydrophobicContact CZ3-CB 3.25Å; W110-N368 WeakPolarHBondContact CZ3-OD1 3.3Å; W110-H385 AromaticContact CD2-CE1 3.61Å; W110-H385 AromaticContact CE3-CE1 3.88Å; W110-H385 AromaticContact CG-CE1 3.79Å; W110-R544 HydrophobicContact CZ2-CB 4.15Å; W110-L548 HydrophobicContact CH2-CD2 4.48Å
111	L	92.3	Very high	87	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	18%	0.184	C	C	.	.			trans	-104.7	153.2	179.6	-58.6	175.3	0	0	0	109.6	E113 V124 V126 V129 I154 L340 W344	L111-E113 PolarHBondContact O-N 2.85Å; L111-V124 PolarHBondContact N-O 2.92Å; L111-V126 HydrophobicContact CD2-CG2 4.3Å; L111-V129 HydrophobicContact CD1-CG2 3.62Å; L111-I154 HydrophobicContact CD1-CD1 4.32Å; L111-I154 HydrophobicContact CD2-CD1 4.03Å; L111-L340 HydrophobicContact CD2-CD2 4.44Å; L111-W344 HydrophobicContact CB-CH2 4.14Å; L111-W344 HydrophobicContact CB-CZ2 4.3Å; L111-W344 HydrophobicContact CD1-CH2 3.99Å; L111-W344 HydrophobicContact CD1-CZ2 4.35Å; L111-W344 HydrophobicContact CD2-CZ2 4.25Å; L111-W344 HydrophobicContact CG-CH2 4.49Å
112	P	92.7	Very high	86.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	-77	62.3	175.8	10.4	4.9	0	0	0	111	L340 W344 T349 I367	P112-L340 HydrophobicContact CG-CD2 4.4Å; P112-L340 WeakPolarHBondContact CG-O 3.48Å; P112-W344 HydrophobicContact CB-CB 4.22Å; P112-W344 HydrophobicContact CB-CG 4.2Å; P112-W344 HydrophobicContact CG-CB 4.11Å; P112-W344 HydrophobicContact CG-CD2 4.05Å; P112-W344 HydrophobicContact CG-CG 3.63Å; P112-T349 VanDerWaalsContact CA-OG1 3.29Å; P112-T349 WeakPolarHBondContact CA-OG1 3.08Å; P112-I367 HydrophobicContact CB-CD1 4.13Å; P112-I367 HydrophobicContact CB-CG1 4.37Å; P112-I367 HydrophobicContact CG-CD1 3.99Å
113	E	88.5	Confident	86.7	Confident	68 Å²	68	33 Å²	33	32%	0.318	19%	0.189	S	C	.	.			trans	-142	140.8	-178.2	-170.9	-179.1	177.4	0	0	110.7	L111 V124 W344	L111-E113 PolarHBondContact O-N 2.85Å; E113-V124 HydrophobicContact CB-CB 4.32Å; E113-V124 HydrophobicContact CB-CG2 4.45Å; E113-V124 WeakPolarHBondContact O-CG2 3.44Å; E113-W344 HydrophobicContact CB-CE3 4.07Å; E113-W344 HydrophobicContact CB-CZ3 3.82Å; E113-W344 HydrophobicContact CG-CZ3 4.31Å; E113-W344 WeakPolarHBondContact OE2-CZ3 3.3Å
114	E	83.1	Confident	86.9	Confident	72 Å²	72	32.7 Å²	32.7	34%	0.336	19%	0.187	S	C	.	.			trans	-122.4	130.6	167.5	-61	-168.2	-165.3	0	0	109.1	T349 L350	E114-T349 HydrophobicContact CG-CG2 3.94Å; E114-L350 HydrophobicContact CG-CD2 4.32Å; E114-L350 HydrophobicContact CG-CG 4.49Å; E114-L350 PolarHBondContact OE1-N 2.98Å
115	K	79.6	Confident	87.1	Confident	61 Å²	61	32.7 Å²	32.7	27%	0.265	19%	0.187	S	C	.	.			trans	-73.7	127.2	176.5	-64.8	-170.6	179.2	-168.9	0	109.5	Q118 V124 D132	K115-Q118 HydrophobicContact CB-CG 3.83Å; K115-Q118 WeakPolarHBondContact O-CG 3.38Å; K115-V124 HydrophobicContact CG-CG2 3.97Å; K115-D132 IonicContact NZ-OD1 2.74Å; K115-D132 PolarHBondContact NZ-OD1 3.28Å
116	P	70	Confident	87.4	Confident	128 Å²	128	32.4 Å²	32.4	83%	0.831	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	142.3	-180	26.2	-33.8	0	0	0	111.2	Q118	P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 2.78Å
117	G	71.6	Confident	87.5	Confident	84 Å²	84	32 Å²	32	87%	0.866	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	17.5	174.9	0	0	0	0	0	115.2	K119	G117-K119 PolarHBondContact O-N 2.84Å
118	Q	78.7	Confident	87.5	Confident	49 Å²	49	32.5 Å²	32.5	23%	0.229	19%	0.185	C	C	.	.			trans	-54.5	130	173.1	-86.7	179.5	-11.9	0	0	111.5	K115 P116 V120 A122	K115-Q118 HydrophobicContact CB-CG 3.83Å; K115-Q118 WeakPolarHBondContact O-CG 3.38Å; P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 2.78Å; Q118-V120 VanDerWaalsContact C-N 3.31Å; Q118-A122 VanDerWaalsContact OE1-N 3.15Å
119	K	85.5	Confident	87.5	Confident	133 Å²	133	33.2 Å²	33.2	58%	0.578	19%	0.19	S	C	*	.	S	Bend	trans	-68.1	-35.4	173	-74	-173.8	177.5	-178.3	0	111.5	G117 R573	G117-K119 PolarHBondContact O-N 2.84Å; K119-R573 WeakPolarHBondContact O-CD 3.41Å; K119-R573 PolarHBondContact O-NH1 2.83Å
120	V	89.1	Confident	87.4	Confident	14 Å²	14	33.2 Å²	33.2	9%	0.085	19%	0.19	C	C	.	.	S	Bend	trans	-126	124	179.7	-177.3	0	0	0	0	105.8	R35 Q118 A122 R573 V574	R35-V120 HydrophobicContact CG-CB 4.25Å; R35-V120 HydrophobicContact CG-CG1 4.05Å; Q118-V120 VanDerWaalsContact C-N 3.31Å; V120-A122 PolarHBondContact O-N 2.82Å; V120-R573 HydrophobicContact CG1-CB 4.31Å; V120-R573 HydrophobicContact CG2-CB 3.97Å; V120-V574 HydrophobicContact CG1-CB 4.42Å; V120-V574 HydrophobicContact CG1-CG2 3.39Å
121	Q	87.8	Confident	87.4	Confident	23 Å²	23	32.5 Å²	32.5	11%	0.107	19%	0.187	C	C	.	.			trans	-60.1	132.4	178.7	-179.9	168.2	45.7	0	0	108.9	L350 P570 V574	Q121-L350 VanDerWaalsContact CD-CD2 3.46Å; Q121-L350 HydrophobicContact CG-CD2 3.31Å; Q121-P570 HydrophobicContact CB-CB 3.96Å; Q121-P570 PolarHBondContact N-O 2.86Å; Q121-V574 HydrophobicContact CB-CG2 3.83Å; Q121-V574 WeakPolarHBondContact O-CG2 3.34Å
122	A	87.6	Confident	87.2	Confident	7 Å²	7	35.2 Å²	35.2	6%	0.058	20%	0.202	C	C	.	.			trans	-152.4	148.1	-176.2	0	0	0	0	0	111.4	Q118 V120	Q118-A122 VanDerWaalsContact OE1-N 3.15Å; V120-A122 PolarHBondContact O-N 2.82Å
123	P	89.5	Confident	87.1	Confident	7 Å²	7	38.6 Å²	38.6	5%	0.045	21%	0.214	C	C	.	.			trans	-62.1	145.7	170.2	30	-37	0	0	0	110.7	W110 L350	W110-P123 HydrophobicContact CD2-CB 3.33Å; W110-P123 HydrophobicContact CD2-CG 4.16Å; W110-P123 VanDerWaalsContact CE2-CB 3.4Å; W110-P123 HydrophobicContact CE3-CB 3.45Å; W110-P123 VanDerWaalsContact CE3-CB 3.45Å; W110-P123 HydrophobicContact CE3-CG 4.4Å; W110-P123 HydrophobicContact CG-CB 3.96Å; W110-P123 HydrophobicContact CH2-CB 3.78Å; W110-P123 HydrophobicContact CH2-CG 3.86Å; W110-P123 HydrophobicContact CZ2-CB 3.67Å; W110-P123 HydrophobicContact CZ2-CG 3.57Å; W110-P123 HydrophobicContact CZ3-CB 3.62Å; W110-P123 HydrophobicContact CZ3-CG 4.22Å; P123-L350 HydrophobicContact CB-CD1 4.08Å
124	V	91.7	Very high	87.3	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	20%	0.199	C	C	.	.			trans	-96.2	118.5	162.7	-179.5	0	0	0	0	107	L111 E113 K115 D128 V129	L111-V124 PolarHBondContact N-O 2.92Å; E113-V124 HydrophobicContact CB-CB 4.32Å; E113-V124 HydrophobicContact CB-CG2 4.45Å; E113-V124 WeakPolarHBondContact O-CG2 3.44Å; K115-V124 HydrophobicContact CG-CG2 3.97Å; V124-D128 HydrophobicContact CG1-CB 4.46Å; V124-V129 HydrophobicContact CG1-CG2 3.82Å
125	C	92.8	Very high	87.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-107.7	169.1	173.5	-47.2	0	0	0	0	111.2	R32 A107 C109 L127 D128 V129	R32-C125 PolarHBondContact NH2-SG 2.9Å; A107-C125 WeakPolarHBondContact O-CB 3.47Å; C109-C125 WeakPolarHBondContact O-CA 3.3Å; C109-C125 WeakPolarHBondContact O-CB 3.19Å; C125-L127 PolarHBondContact O-N 3.23Å; C125-D128 WeakPolarHBondContact CB-OD2 3.28Å; C125-D128 PolarHBondContact N-OD2 2.86Å; C125-D128 WeakPolarHBondContact O-CB 3.44Å; C125-D128 PolarHBondContact O-N 3.16Å; C125-V129 PolarHBondContact O-N 3.36Å; C125-V129 VanDerWaalsContact O-N 3.12Å
126	V	92.4	Very high	88	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-51.4	-42.1	172.2	174.7	0	0	0	0	111.5	R106 C109 L111 D128 V129 L130 M153 I154 L329	R106-V126 WeakPolarHBondContact O-CB 3.17Å; C109-V126 HydrophobicContact CB-CG2 3.96Å; C109-V126 PolarHBondContact O-N 2.89Å; C109-V126 VanDerWaalsContact O-N 3.13Å; L111-V126 HydrophobicContact CD2-CG2 4.3Å; V126-D128 VanDerWaalsContact C-N 3.32Å; V126-D128 PolarHBondContact O-N 2.94Å; V126-V129 PolarHBondContact O-N 2.73Å; V126-L130 PolarHBondContact O-N 3.12Å; V126-M153 VanDerWaalsContact CG1-O 3.25Å; V126-M153 WeakPolarHBondContact CG1-O 3.29Å; V126-I154 HydrophobicContact CG1-CG1 4.35Å; V126-I154 HydrophobicContact CG2-CD1 4.46Å; V126-I154 HydrophobicContact CG2-CG1 4.2Å; V126-L329 HydrophobicContact CG1-CD1 4.43Å; V126-L329 HydrophobicContact CG2-CD1 4.5Å; V126-L329 HydrophobicContact CG2-CD2 4.05Å
127	L	93.6	Very high	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-43.2	174.6	177.3	65.4	0	0	0	112.7	L29 L93 A107 F108 C125 L130 L131 T151	L29-L127 HydrophobicContact CD2-CD2 4.13Å; L93-L127 HydrophobicContact CD1-CD1 3.51Å; A107-L127 HydrophobicContact CB-CB 4.27Å; A107-L127 VanDerWaalsContact O-CB 3.27Å; A107-L127 WeakPolarHBondContact O-CB 3.29Å; A107-L127 PolarHBondContact O-N 3.24Å; F108-L127 HydrophobicContact CD1-CD2 4.46Å; F108-L127 HydrophobicContact CE1-CD2 3.69Å; F108-L127 HydrophobicContact CZ-CD2 4.12Å; C125-L127 PolarHBondContact O-N 3.23Å; L127-L130 PolarHBondContact O-N 3.13Å; L127-L131 HydrophobicContact CD1-CD1 4.11Å; L127-L131 HydrophobicContact CD1-CG 4.19Å; L127-L131 HydrophobicContact CG-CD1 3.93Å; L127-L131 HydrophobicContact CG-CG 4.42Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.49Å; L127-L131 PolarHBondContact O-N 2.84Å; L127-T151 HydrophobicContact CD1-CG2 4.24Å
128	D	92.6	Very high	89.7	Confident	9 Å²	9	23.7 Å²	23.7	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-70	-36.7	-177.2	-60.4	-68.5	0	0	0	111.9	R32 V124 C125 V126 D132	R32-D128 WeakPolarHBondContact CD-OD1 3.28Å; R32-D128 IonicContact CZ-OD1 2.96Å; R32-D128 IonicContact CZ-OD2 3.43Å; R32-D128 IonicContact NE-OD1 2.79Å; R32-D128 PolarHBondContact NE-OD1 2.76Å; R32-D128 IonicContact NE-OD2 3.2Å; R32-D128 PolarHBondContact NE-OD2 2.72Å; R32-D128 IonicContact NH2-OD1 3.9Å; R32-D128 IonicContact NH2-OD2 2.94Å; R32-D128 PolarHBondContact NH2-OD2 2.86Å; V124-D128 HydrophobicContact CG1-CB 4.46Å; C125-D128 WeakPolarHBondContact CB-OD2 3.28Å; C125-D128 PolarHBondContact N-OD2 2.86Å; C125-D128 WeakPolarHBondContact O-CB 3.44Å; C125-D128 PolarHBondContact O-N 3.16Å; V126-D128 VanDerWaalsContact C-N 3.32Å; V126-D128 PolarHBondContact O-N 2.94Å; D128-D132 VanDerWaalsContact O-CB 3.23Å; D128-D132 WeakPolarHBondContact O-CB 3.44Å; D128-D132 PolarHBondContact O-N 3.05Å
129	V	91.1	Very high	90.3	Very high	16 Å²	16	21.3 Å²	21.3	10%	0.097	11%	0.108	C	C	.	.	H	α-helix	trans	-64.6	-44	173	177.3	0	0	0	0	110.2	L111 V124 C125 V126 D132 R133 I154	L111-V129 HydrophobicContact CD1-CG2 3.62Å; V124-V129 HydrophobicContact CG1-CG2 3.82Å; C125-V129 PolarHBondContact O-N 3.36Å; C125-V129 VanDerWaalsContact O-N 3.12Å; V126-V129 PolarHBondContact O-N 2.73Å; V129-D132 PolarHBondContact O-N 2.82Å; V129-R133 VanDerWaalsContact O-CG 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.73Å; V129-I154 HydrophobicContact CG1-CG2 4.32Å
130	L	92	Very high	90.6	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-64.1	-48.3	178.9	-178.6	61.1	0	0	0	112	L93 V126 L127 D132 R133 L134 S150 T151 M153 L155	L93-L130 HydrophobicContact CD2-CD2 3.87Å; V126-L130 PolarHBondContact O-N 3.12Å; L127-L130 PolarHBondContact O-N 3.13Å; L130-D132 VanDerWaalsContact C-N 3.28Å; L130-D132 PolarHBondContact O-N 3.13Å; L130-R133 PolarHBondContact O-N 2.73Å; L130-L134 HydrophobicContact CD1-CD1 4.08Å; L130-L134 HydrophobicContact CD1-CG 4.14Å; L130-L134 HydrophobicContact CG-CD1 3.9Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 WeakPolarHBondContact O-CB 3.29Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.23Å; L130-L134 PolarHBondContact O-N 2.89Å; L130-S150 WeakPolarHBondContact CD2-O 3.43Å; L130-T151 HydrophobicContact CD2-CG2 4.46Å; L130-M153 HydrophobicContact CD1-CE 4.27Å; L130-L155 HydrophobicContact CD1-CB 4.48Å
131	L	92.3	Very high	90.6	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	12%	0.124	C	C	.	.	H	α-helix	trans	-58.3	-41.2	177.4	-75.5	170.9	0	0	0	111.9	L38 L91 L93 L127 S135	L38-L131 HydrophobicContact CD2-CD1 4.02Å; L38-L131 HydrophobicContact CD2-CD2 4.16Å; L38-L131 HydrophobicContact CG-CD1 4.46Å; L91-L131 HydrophobicContact CD2-CD2 3.64Å; L93-L131 HydrophobicContact CD1-CD2 4.16Å; L127-L131 HydrophobicContact CD1-CD1 4.11Å; L127-L131 HydrophobicContact CD1-CG 4.19Å; L127-L131 HydrophobicContact CG-CD1 3.93Å; L127-L131 HydrophobicContact CG-CG 4.42Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 VanDerWaalsContact O-CG 3.3Å; L127-L131 WeakPolarHBondContact O-CG 3.49Å; L127-L131 PolarHBondContact O-N 2.84Å; L131-S135 VanDerWaalsContact O-CB 3.23Å; L131-S135 WeakPolarHBondContact O-CB 3.14Å; L131-S135 PolarHBondContact O-N 3.36Å; L131-S135 PolarHBondContact O-OG 3.15Å
132	D	89.8	Confident	90.8	Very high	58 Å²	58	19.1 Å²	19.1	31%	0.31	12%	0.122	S	C	.	.	H	α-helix	trans	-62.8	-48	177.8	-171.4	95.5	0	0	0	111.5	K115 D128 V129 L130 S135 S136	K115-D132 IonicContact NZ-OD1 2.74Å; K115-D132 PolarHBondContact NZ-OD1 3.28Å; D128-D132 VanDerWaalsContact O-CB 3.23Å; D128-D132 WeakPolarHBondContact O-CB 3.44Å; D128-D132 PolarHBondContact O-N 3.05Å; V129-D132 PolarHBondContact O-N 2.82Å; L130-D132 VanDerWaalsContact C-N 3.28Å; L130-D132 PolarHBondContact O-N 3.13Å; D132-S135 PolarHBondContact O-N 3.37Å; D132-S136 VanDerWaalsContact O-CB 3.24Å; D132-S136 WeakPolarHBondContact O-CB 3.3Å; D132-S136 PolarHBondContact O-N 2.92Å; D132-S136 PolarHBondContact O-OG 3.22Å
133	R	90.1	Very high	91.1	Very high	73 Å²	73	20.8 Å²	20.8	28%	0.275	13%	0.132	S	C	.	.	H	α-helix	trans	-64.3	-44	177.5	-65.8	-67.9	176.7	-89.2	-0.9	112.3	V129 L130 Q137 I138	V129-R133 VanDerWaalsContact O-CG 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.73Å; L130-R133 PolarHBondContact O-N 2.73Å; R133-Q137 WeakPolarHBondContact O-CB 3.38Å; R133-Q137 PolarHBondContact O-N 2.86Å; R133-Q137 VanDerWaalsContact O-N 3.07Å; R133-I138 PolarHBondContact O-N 2.92Å
134	L	91.8	Very high	91.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-61	-50.8	177	-71.2	174.2	0	0	0	110.9	W9 L91 L130 S136 I138 C139 C149 P225	W9-L134 HydrophobicContact CZ2-CB 4.25Å; L91-L134 HydrophobicContact CD1-CD1 3.9Å; L91-L134 HydrophobicContact CD2-CD1 4.09Å; L130-L134 HydrophobicContact CD1-CD1 4.08Å; L130-L134 HydrophobicContact CD1-CG 4.14Å; L130-L134 HydrophobicContact CG-CD1 3.9Å; L130-L134 HydrophobicContact CG-CG 4.38Å; L130-L134 WeakPolarHBondContact O-CB 3.29Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.23Å; L130-L134 PolarHBondContact O-N 2.89Å; L134-S136 PolarHBondContact O-N 3.43Å; L134-I138 HydrophobicContact CD2-CB 4.32Å; L134-I138 HydrophobicContact CD2-CD1 4.02Å; L134-I138 HydrophobicContact CD2-CG2 4.22Å; L134-I138 PolarHBondContact O-N 2.94Å; L134-C139 VanDerWaalsContact O-CB 3.22Å; L134-C139 WeakPolarHBondContact O-CB 3.49Å; L134-C139 PolarHBondContact O-N 2.99Å; L134-C139 PolarHBondContact O-SG 3.5Å; L134-C139 VanDerWaalsContact O-SG 3.35Å; L134-C149 HydrophobicContact CD1-CB 4.44Å; L134-P225 HydrophobicContact CD2-CB 4.03Å; L134-P225 HydrophobicContact CD2-CG 3.73Å
135	S	90.6	Very high	91.6	Very high	17 Å²	17	22.2 Å²	22.2	12%	0.119	14%	0.141	C	C	.	.	I	π-helix	trans	-75.5	-26.2	-172.7	-49.9	0	0	0	0	113.7	F7 W9 L131 D132 P140	F7-S135 WeakPolarHBondContact CB-O 3.27Å; W9-S135 PolarHBondContact NE1-OG 3.43Å; L131-S135 VanDerWaalsContact O-CB 3.23Å; L131-S135 WeakPolarHBondContact O-CB 3.14Å; L131-S135 PolarHBondContact O-N 3.36Å; L131-S135 PolarHBondContact O-OG 3.15Å; D132-S135 PolarHBondContact O-N 3.37Å; S135-P140 VanDerWaalsContact O-CG 3.31Å; S135-P140 WeakPolarHBondContact O-CG 3.39Å
136	S	87.3	Confident	91.8	Very high	50 Å²	50	22.2 Å²	22.2	35%	0.35	14%	0.141	S	C	.	.	I	π-helix	trans	-105	-21	-173.9	70.1	0	0	0	0	115.1	D132 L134	D132-S136 VanDerWaalsContact O-CB 3.24Å; D132-S136 WeakPolarHBondContact O-CB 3.3Å; D132-S136 PolarHBondContact O-N 2.92Å; D132-S136 PolarHBondContact O-OG 3.22Å; L134-S136 PolarHBondContact O-N 3.43Å
137	Q	87.4	Confident	92.1	Very high	32 Å²	32	22.1 Å²	22.1	15%	0.15	14%	0.141	C	C	.	.	I	π-helix	trans	-129.1	-42.9	-173.3	-66.1	178	-47.1	0	0	113.9	R133	R133-Q137 WeakPolarHBondContact O-CB 3.38Å; R133-Q137 PolarHBondContact O-N 2.86Å; R133-Q137 VanDerWaalsContact O-N 3.07Å
138	I	90.2	Very high	92.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-91	-52.6	-169.7	-66.1	169.9	0	0	0	112.9	R133 L134 P140 W147 L155 V157 L174 P225	R133-I138 PolarHBondContact O-N 2.92Å; L134-I138 HydrophobicContact CD2-CB 4.32Å; L134-I138 HydrophobicContact CD2-CD1 4.02Å; L134-I138 HydrophobicContact CD2-CG2 4.22Å; L134-I138 PolarHBondContact O-N 2.94Å; I138-P140 VanDerWaalsContact C-CD 3.5Å; I138-W147 HydrophobicContact CG2-CH2 3.62Å; I138-W147 HydrophobicContact CG2-CZ2 4.42Å; I138-W147 HydrophobicContact CG2-CZ3 3.82Å; I138-L155 HydrophobicContact CD1-CD2 3.64Å; I138-V157 HydrophobicContact CD1-CG2 4.05Å; I138-V157 HydrophobicContact CG1-CG2 4.35Å; I138-L174 HydrophobicContact CB-CD2 4.46Å; I138-L174 HydrophobicContact CD1-CD2 4.14Å; I138-L174 HydrophobicContact CG1-CD2 4.21Å; I138-L174 HydrophobicContact CG2-CD2 3.47Å; I138-L174 VanDerWaalsContact CG2-CD2 3.47Å; I138-P225 HydrophobicContact CD1-CG 4.25Å
139	C	92	Very high	92.3	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-81.9	-24.8	-172.2	-55.5	0	0	0	0	115.5	F7 W9 L134 G141 S142 W147	F7-C139 HydrophobicContact CD1-CB 4.08Å; F7-C139 HydrophobicContact CD2-CB 4.24Å; F7-C139 HydrophobicContact CE1-CB 3.97Å; F7-C139 HydrophobicContact CE2-CB 4.16Å; F7-C139 WeakPolarHBondContact CE2-O 3.35Å; F7-C139 HydrophobicContact CG-CB 4.2Å; F7-C139 HydrophobicContact CZ-CB 4Å; W9-C139 HydrophobicContact CH2-CB 4.01Å; W9-C139 VanDerWaalsContact CH2-SG 3.51Å; W9-C139 HydrophobicContact CZ2-CB 4.04Å; L134-C139 VanDerWaalsContact O-CB 3.22Å; L134-C139 WeakPolarHBondContact O-CB 3.49Å; L134-C139 PolarHBondContact O-N 2.99Å; L134-C139 PolarHBondContact O-SG 3.5Å; L134-C139 VanDerWaalsContact O-SG 3.35Å; C139-G141 PolarHBondContact O-N 3.09Å; C139-S142 VanDerWaalsContact O-CB 3.28Å; C139-S142 WeakPolarHBondContact O-CB 3.43Å; C139-S142 PolarHBondContact O-N 3.18Å; C139-S142 PolarHBondContact O-OG 2.93Å; C139-W147 HydrophobicContact CB-CZ2 4.21Å; C139-W147 VanDerWaalsContact SG-CE2 3.51Å
140	P	91.1	Very high	92.3	Very high	53 Å²	53	22.7 Å²	22.7	34%	0.344	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	129.8	176.4	-31.6	37.8	0	0	0	113.2	S135 I138	S135-P140 VanDerWaalsContact O-CG 3.31Å; S135-P140 WeakPolarHBondContact O-CG 3.39Å; I138-P140 VanDerWaalsContact C-CD 3.5Å
141	G	89.3	Confident	92.2	Very high	63 Å²	63	22.6 Å²	22.6	65%	0.649	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-6.9	-177.5	0	0	0	0	0	115.6	C139 W165	C139-G141 PolarHBondContact O-N 3.09Å; G141-W165 WeakPolarHBondContact O-CB 3.16Å
142	S	92.8	Very high	92.1	Very high	8 Å²	8	23.6 Å²	23.6	6%	0.056	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-67.2	142.5	177.7	61.1	0	0	0	0	113	F7 H89 C139 W147	F7-S142 WeakPolarHBondContact CZ-OG 3.45Å; H89-S142 PolarHBondContact NE2-O 3.28Å; H89-S142 VanDerWaalsContact NE2-O 3.15Å; C139-S142 VanDerWaalsContact O-CB 3.28Å; C139-S142 WeakPolarHBondContact O-CB 3.43Å; C139-S142 PolarHBondContact O-N 3.18Å; C139-S142 PolarHBondContact O-OG 2.93Å; S142-W147 PolarHBondContact OG-NE1 2.97Å
143	P	93.6	Very high	92.1	Very high	42 Å²	42	21 Å²	21	27%	0.273	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-68.8	167.2	173.6	29.9	-33.5	0	0	0	111.2	W165 F168 F227	P143-W165 HydrophobicContact CG-CE3 4.49Å; P143-F168 HydrophobicContact CG-CD1 4.48Å; P143-F227 HydrophobicContact CG-CE1 3.89Å; P143-F227 HydrophobicContact CG-CZ 3.89Å; P143-F227 VanDerWaalsContact O-CZ 3.25Å; P143-F227 WeakPolarHBondContact O-CZ 3.23Å
144	P	94.9	Very high	92.1	Very high	36 Å²	36	18.4 Å²	18.4	23%	0.234	13%	0.129	C	C	.	.	S	Bend	trans	-52.9	140	170.6	-28.3	38	0	0	0	112.4	D86 A88 R230	D86-P144 WeakPolarHBondContact O-CB 3.11Å; D86-P144 WeakPolarHBondContact O-CG 3.36Å; A88-P144 CarbonylContact O-C 3.58Å; A88-P144 WeakPolarHBondContact O-CA 3.28Å; P144-R230 PolarHBondContact O-N 3.19Å
145	G	95.7	Very high	92	Very high	3 Å²	3	18.6 Å²	18.6	3%	0.031	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.7	-167.5	-171.6	0	0	0	0	0	113.3	A88 I90 F228	A88-G145 PolarHBondContact O-N 2.72Å; I90-G145 PolarHBondContact N-O 2.7Å; G145-F228 CarbonylContact C-O 3.57Å; G145-F228 WeakPolarHBondContact CA-O 3.5Å
146	V	97.9	Very high	91.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.5	-172.1	-177.6	0	0	0	0	110	L64 I90 I92 V148 F227 F228 S233	L64-V146 HydrophobicContact CD1-CG2 3.59Å; I90-V146 HydrophobicContact CB-CG2 4.17Å; I90-V146 HydrophobicContact CD1-CG2 4.3Å; I90-V146 HydrophobicContact CG2-CG1 4.38Å; I90-V146 CarbonylContact O-C 3.47Å; I90-V146 WeakPolarHBondContact O-CA 3.44Å; I92-V146 HydrophobicContact CD1-CG1 3.63Å; I92-V146 HydrophobicContact CG1-CG1 4.12Å; V146-V148 HydrophobicContact CG1-CG2 4.02Å; V146-F227 WeakPolarHBondContact O-CA 3.42Å; V146-F228 HydrophobicContact CB-CB 4.44Å; V146-F228 PolarHBondContact N-O 3.01Å; V146-F228 PolarHBondContact O-N 3.27Å; V146-S233 VanDerWaalsContact CG2-OG 3.26Å; V146-S233 WeakPolarHBondContact CG2-OG 3.25Å
147	W	97.4	Very high	92	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.5	166.3	-75.4	91.9	0	0	0	110	W9 I90 L91 I92 I138 C139 S142 W165 L174 P225 V226 F227	W9-W147 HydrophobicContact CH2-CB 4.09Å; W9-W147 AromaticContact CH2-CD1 3.64Å; W9-W147 AromaticContact CH2-CG 3.87Å; W9-W147 HydrophobicContact CH2-CG 3.87Å; W9-W147 HydrophobicContact CZ3-CB 4.21Å; W9-W147 AromaticContact CZ3-CD1 3.64Å; W9-W147 HydrophobicContact CZ3-CG 4.13Å; I90-W147 PolarHBondContact O-N 2.86Å; L91-W147 CarbonylContact C-O 3.39Å; L91-W147 WeakPolarHBondContact CA-O 3.36Å; L91-W147 HydrophobicContact CD1-CB 3.71Å; I92-W147 PolarHBondContact N-O 3.03Å; I138-W147 HydrophobicContact CG2-CH2 3.62Å; I138-W147 HydrophobicContact CG2-CZ2 4.42Å; I138-W147 HydrophobicContact CG2-CZ3 3.82Å; C139-W147 HydrophobicContact CB-CZ2 4.21Å; C139-W147 VanDerWaalsContact SG-CE2 3.51Å; S142-W147 PolarHBondContact OG-NE1 2.97Å; W147-W165 AromaticContact CH2-CH2 3.74Å; W147-W165 HydrophobicContact CH2-CH2 3.74Å; W147-W165 AromaticContact CH2-CZ2 3.57Å; W147-W165 HydrophobicContact CH2-CZ2 3.57Å; W147-W165 AromaticContact CZ2-CH2 3.59Å; W147-W165 HydrophobicContact CZ2-CH2 3.59Å; W147-W165 AromaticContact CZ2-CZ2 3.35Å; W147-W165 HydrophobicContact CZ2-CZ2 3.35Å; W147-L174 HydrophobicContact CH2-CD1 4.37Å; W147-L174 HydrophobicContact CZ3-CD1 4.17Å; W147-P225 HydrophobicContact CE3-CB 3.94Å; W147-P225 HydrophobicContact CZ3-CB 3.86Å; W147-V226 CarbonylContact C-O 3.4Å; W147-V226 WeakPolarHBondContact CA-O 3.3Å; W147-F227 AromaticContact CD1-CD2 3.55Å; W147-F227 AromaticContact CD1-CE2 3.95Å; W147-F227 HydrophobicContact CD2-CB 3.96Å; W147-F227 AromaticContact CD2-CD2 3.77Å; W147-F227 HydrophobicContact CD2-CD2 3.77Å; W147-F227 HydrophobicContact CD2-CG 4.29Å; W147-F227 AromaticContact CE2-CD2 3.42Å; W147-F227 VanDerWaalsContact CE2-CD2 3.42Å; W147-F227 AromaticContact CE2-CG 3.94Å; W147-F227 HydrophobicContact CE3-CB 3.89Å; W147-F227 AromaticContact CG-CD2 3.88Å; W147-F227 HydrophobicContact CG-CD2 3.88Å; W147-F227 HydrophobicContact CH2-CB 3.91Å; W147-F227 HydrophobicContact CZ2-CB 3.96Å; W147-F227 AromaticContact CZ2-CD2 3.99Å; W147-F227 HydrophobicContact CZ2-CD2 3.99Å; W147-F227 HydrophobicContact CZ2-CG 4.09Å; W147-F227 HydrophobicContact CZ3-CB 3.85Å; W147-F227 AromaticContact NE1-CD2 3.27Å; W147-F227 VanDerWaalsContact NE1-CD2 3.27Å; W147-F227 AromaticContact NE1-CE2 3.65Å
148	V	96.6	Very high	92.1	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128	174.5	-171.9	0	0	0	0	108.5	T60 I92 V146 V226 F228 L264	T60-V148 HydrophobicContact CG2-CG1 4.38Å; T60-V148 HydrophobicContact CG2-CG2 3.71Å; I92-V148 HydrophobicContact CB-CG2 4.36Å; I92-V148 HydrophobicContact CD1-CG2 4.47Å; I92-V148 CarbonylContact O-C 3.59Å; I92-V148 WeakPolarHBondContact O-CA 3.3Å; V146-V148 HydrophobicContact CG1-CG2 4.02Å; V148-V226 PolarHBondContact N-O 2.99Å; V148-V226 PolarHBondContact O-N 3.45Å; V148-F228 HydrophobicContact CB-CE2 4.36Å; V148-F228 HydrophobicContact CG2-CD2 4Å; V148-F228 HydrophobicContact CG2-CE2 3.73Å; V148-L264 HydrophobicContact CB-CD2 4.29Å; V148-L264 HydrophobicContact CG1-CD2 3.64Å
149	C	94.1	Very high	91.9	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.034	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154.3	-177.5	-161.3	0	0	0	0	110.7	I92 L93 H94 L134 M153	I92-C149 PolarHBondContact O-N 3.08Å; L93-C149 CarbonylContact C-O 3.52Å; L93-C149 VanDerWaalsContact CA-O 3.32Å; L93-C149 WeakPolarHBondContact CA-O 3.4Å; L93-C149 HydrophobicContact CD2-CB 3.93Å; H94-C149 PolarHBondContact N-O 3.21Å; L134-C149 HydrophobicContact CD1-CB 4.44Å; C149-M153 WeakPolarHBondContact SG-CE 3.44Å
150	S	90.4	Very high	91.5	Very high	30 Å²	30	31.1 Å²	31.1	21%	0.21	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	153.4	174.5	-166.3	0	0	0	0	110.6	L130 D152 M153	L130-S150 WeakPolarHBondContact CD2-O 3.43Å; S150-D152 WeakPolarHBondContact CB-OD1 3.48Å; S150-D152 PolarHBondContact OG-OD1 3.16Å; S150-D152 PolarHBondContact OG-OD2 2.89Å; S150-D152 VanDerWaalsContact OG-OD2 3.1Å; S150-M153 WeakPolarHBondContact O-CE 3.38Å
151	T	91.4	Very high	91.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-101.8	12.5	174.6	70.2	0	0	0	0	112.4	L14 L93 H94 T95 R106 A107 L127 L130 M153	L14-T151 HydrophobicContact CD1-CG2 4.26Å; L93-T151 HydrophobicContact CB-CG2 4.04Å; L93-T151 HydrophobicContact CD2-CG2 4.49Å; H94-T151 PolarHBondContact O-N 3.47Å; H94-T151 PolarHBondContact O-OG1 2.79Å; T95-T151 WeakPolarHBondContact CA-OG1 3.25Å; R106-T151 WeakPolarHBondContact CB-O 3.3Å; A107-T151 HydrophobicContact CB-CG2 4.08Å; L127-T151 HydrophobicContact CD1-CG2 4.24Å; L130-T151 HydrophobicContact CD2-CG2 4.46Å; T151-M153 VanDerWaalsContact C-N 3.31Å
152	D	89.9	Confident	91	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.134	20%	0.2	C	C	.	.	S	Bend	trans	-91.9	12.3	-176.8	59.7	1.9	0	0	0	114	S150 Y328 L329	S150-D152 WeakPolarHBondContact CB-OD1 3.48Å; S150-D152 PolarHBondContact OG-OD1 3.16Å; S150-D152 PolarHBondContact OG-OD2 2.89Å; S150-D152 VanDerWaalsContact OG-OD2 3.1Å; D152-Y328 HydrophobicContact CB-CD2 4.39Å; D152-Y328 HydrophobicContact CB-CE2 3.9Å; D152-Y328 VanDerWaalsContact CG-CE2 3.5Å; D152-Y328 WeakPolarHBondContact O-CD2 3.4Å; D152-Y328 WeakPolarHBondContact OD2-CE2 3.33Å; D152-L329 VanDerWaalsContact O-CD1 3.27Å; D152-L329 WeakPolarHBondContact O-CD1 3.46Å; D152-L329 PolarHBondContact O-N 2.99Å
153	M	89.4	Confident	90.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.3	176.1	69.7	-83.9	-177.9	0	0	113.4	V126 L130 C149 S150 T151 Y326 D327	V126-M153 VanDerWaalsContact CG1-O 3.25Å; V126-M153 WeakPolarHBondContact CG1-O 3.29Å; L130-M153 HydrophobicContact CD1-CE 4.27Å; C149-M153 WeakPolarHBondContact SG-CE 3.44Å; S150-M153 WeakPolarHBondContact O-CE 3.38Å; T151-M153 VanDerWaalsContact C-N 3.31Å; M153-Y326 HydrophobicContact CB-CD2 3.71Å; M153-Y326 HydrophobicContact CB-CE2 3.24Å; M153-Y326 HydrophobicContact CB-CG 4.5Å; M153-Y326 HydrophobicContact CG-CD2 3.69Å; M153-Y326 HydrophobicContact CG-CE2 3.27Å; M153-Y326 HydrophobicContact SD-CE2 3.81Å; M153-D327 CarbonylContact C-O 3.13Å; M153-D327 VanDerWaalsContact CA-O 3.25Å; M153-D327 WeakPolarHBondContact CA-O 3.36Å
154	I	90.1	Very high	90.5	Very high	19 Å²	19	35 Å²	35	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.6	159.3	-58.2	177.5	0	0	0	107.9	L111 V126 V129 D327 L329 R339	L111-I154 HydrophobicContact CD1-CD1 4.32Å; L111-I154 HydrophobicContact CD2-CD1 4.03Å; V126-I154 HydrophobicContact CG1-CG1 4.35Å; V126-I154 HydrophobicContact CG2-CD1 4.46Å; V126-I154 HydrophobicContact CG2-CG1 4.2Å; V129-I154 HydrophobicContact CG1-CG2 4.32Å; I154-D327 HydrophobicContact CB-CB 4.38Å; I154-D327 PolarHBondContact N-O 3.12Å; I154-D327 PolarHBondContact O-N 2.96Å; I154-D327 VanDerWaalsContact O-N 3.07Å; I154-L329 HydrophobicContact CG1-CD1 4.21Å; I154-R339 HydrophobicContact CD1-CG 4.47Å
155	L	89.6	Confident	90.2	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125	-179.9	-177	65.8	0	0	0	110.7	L130 I138 V157 V176 P225	L130-L155 HydrophobicContact CD1-CB 4.48Å; I138-L155 HydrophobicContact CD1-CD2 3.64Å; L155-V157 HydrophobicContact CD2-CG2 4.36Å; L155-V157 HydrophobicContact CG-CG2 4.18Å; L155-V176 HydrophobicContact CD1-CG1 3.95Å; L155-P225 HydrophobicContact CD2-CG 4.06Å
156	S	88.8	Confident	89.7	Confident	51 Å²	51	41.2 Å²	41.2	36%	0.357	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.4	172.7	-60.6	0	0	0	0	110.9	G324 R325	S156-G324 CarbonylContact O-C 3.55Å; S156-G324 VanDerWaalsContact O-CA 3.25Å; S156-G324 WeakPolarHBondContact O-CA 3.15Å; S156-R325 PolarHBondContact N-O 2.88Å; S156-R325 PolarHBondContact O-N 3.49Å
157	V	89.3	Confident	89	Confident	13 Å²	13	45.5 Å²	45.5	8%	0.079	28%	0.284	C	S	.	.			trans	-124.8	135.5	179.8	-179.6	0	0	0	0	108.8	I138 L155 F161 I321	I138-V157 HydrophobicContact CD1-CG2 4.05Å; I138-V157 HydrophobicContact CG1-CG2 4.35Å; L155-V157 HydrophobicContact CD2-CG2 4.36Å; L155-V157 HydrophobicContact CG-CG2 4.18Å; V157-F161 HydrophobicContact CG1-CB 3.79Å; V157-F161 HydrophobicContact CG1-CD1 3.7Å; V157-F161 HydrophobicContact CG1-CG 3.97Å; V157-I321 HydrophobicContact CG1-CG2 4.13Å; V157-I321 HydrophobicContact CG2-CD1 4.46Å
158	P	90.3	Very high	88.6	Confident	33 Å²	33	47 Å²	47	21%	0.214	29%	0.29	C	S	.	.			trans	-54.5	144	174.6	-23.5	32.6	0	0	0	112	D160 F161 P322	P158-D160 VanDerWaalsContact CB-OD1 3.26Å; P158-D160 WeakPolarHBondContact CB-OD1 3.16Å; P158-D160 PolarHBondContact O-N 2.92Å; P158-F161 HydrophobicContact CB-CB 4.38Å; P158-F161 WeakPolarHBondContact O-CB 3.48Å; P158-F161 PolarHBondContact O-N 2.93Å; P158-P322 VanDerWaalsContact CG-O 3.28Å; P158-P322 WeakPolarHBondContact CG-O 3.38Å
159	T	85.3	Confident	88.3	Confident	132 Å²	132	50.1 Å²	50.1	81%	0.81	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22	-172.9	48.6	0	0	0	0	113.9
160	D	84.7	Confident	88.3	Confident	133 Å²	133	50 Å²	50	71%	0.711	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-6	178.6	61.7	-39.8	0	0	0	113.7	P158 V162	P158-D160 VanDerWaalsContact CB-OD1 3.26Å; P158-D160 WeakPolarHBondContact CB-OD1 3.16Å; P158-D160 PolarHBondContact O-N 2.92Å; D160-V162 PolarHBondContact O-N 2.86Å
161	F	87.1	Confident	88.6	Confident	39 Å²	39	48.5 Å²	48.5	17%	0.171	30%	0.302	C	S	.	.			trans	-69	126.8	177.7	-178.3	-97.4	0	0	0	111.1	V157 P158 L163 V319 I321	V157-F161 HydrophobicContact CG1-CB 3.79Å; V157-F161 HydrophobicContact CG1-CD1 3.7Å; V157-F161 HydrophobicContact CG1-CG 3.97Å; P158-F161 HydrophobicContact CB-CB 4.38Å; P158-F161 WeakPolarHBondContact O-CB 3.48Å; P158-F161 PolarHBondContact O-N 2.93Å; F161-L163 HydrophobicContact CE1-CB 4.12Å; F161-L163 HydrophobicContact CZ-CB 4.48Å; F161-V319 HydrophobicContact CZ-CG1 3.84Å; F161-I321 HydrophobicContact CD1-CG2 4.43Å; F161-I321 HydrophobicContact CD2-CG2 3.92Å; F161-I321 HydrophobicContact CE1-CD1 4.02Å; F161-I321 HydrophobicContact CE1-CG1 4.13Å; F161-I321 HydrophobicContact CE2-CB 4.33Å; F161-I321 HydrophobicContact CE2-CG1 3.98Å; F161-I321 HydrophobicContact CE2-CG2 4.1Å; F161-I321 HydrophobicContact CG-CG2 4.1Å; F161-I321 HydrophobicContact CZ-CD1 4.11Å; F161-I321 HydrophobicContact CZ-CG1 3.71Å; F161-I321 HydrophobicContact CZ-CG2 4.44Å
162	V	82.6	Confident	88.8	Confident	124 Å²	124	50.4 Å²	50.4	75%	0.752	31%	0.309	S	S	*	.			trans	-130.4	129.4	175	-179.5	0	0	0	0	108.8	D160	D160-V162 PolarHBondContact O-N 2.86Å
163	L	87.6	Confident	89.1	Confident	17 Å²	17	49.2 Å²	49.2	9%	0.089	30%	0.302	C	S	.	.			trans	-94.1	121.2	178.4	-178.7	52.7	0	0	0	110.8	F161 W165 V319	F161-L163 HydrophobicContact CE1-CB 4.12Å; F161-L163 HydrophobicContact CZ-CB 4.48Å; L163-W165 HydrophobicContact CD2-CH2 4.19Å; L163-W165 HydrophobicContact CD2-CZ2 3.34Å; L163-W165 HydrophobicContact CG-CZ2 4Å; L163-V319 HydrophobicContact CD1-CB 4.47Å; L163-V319 HydrophobicContact CD1-CG1 3.96Å; L163-V319 HydrophobicContact CD1-CG2 3.8Å
164	S	86.7	Confident	89.3	Confident	68 Å²	68	49.1 Å²	49.1	48%	0.476	30%	0.302	S	S	.	.			trans	-85.2	138.5	173	171.2	0	0	0	0	111.8	D166 R172	S164-D166 PolarHBondContact OG-N 2.81Å; S164-D166 PolarHBondContact OG-OD2 3.22Å; S164-R172 PolarHBondContact O-NH1 2.98Å
165	W	90.2	Very high	89.5	Confident	21 Å²	21	48.2 Å²	48.2	8%	0.08	30%	0.297	C	S	.	.			trans	-116.6	9	179.6	-66.6	97.2	0	0	0	112.9	G141 P143 W147 L163 G167 F168 F227	G141-W165 WeakPolarHBondContact O-CB 3.16Å; P143-W165 HydrophobicContact CG-CE3 4.49Å; W147-W165 AromaticContact CH2-CH2 3.74Å; W147-W165 HydrophobicContact CH2-CH2 3.74Å; W147-W165 AromaticContact CH2-CZ2 3.57Å; W147-W165 HydrophobicContact CH2-CZ2 3.57Å; W147-W165 AromaticContact CZ2-CH2 3.59Å; W147-W165 HydrophobicContact CZ2-CH2 3.59Å; W147-W165 AromaticContact CZ2-CZ2 3.35Å; W147-W165 HydrophobicContact CZ2-CZ2 3.35Å; L163-W165 HydrophobicContact CD2-CH2 4.19Å; L163-W165 HydrophobicContact CD2-CZ2 3.34Å; L163-W165 HydrophobicContact CG-CZ2 4Å; W165-G167 PolarHBondContact O-N 3.36Å; W165-G167 VanDerWaalsContact O-N 3.17Å; W165-F168 HydrophobicContact CE3-CB 4.12Å; W165-F168 AromaticContact CE3-CD1 3.56Å; W165-F168 HydrophobicContact CE3-CD1 3.56Å; W165-F168 HydrophobicContact CE3-CE1 4.25Å; W165-F168 AromaticContact CE3-CG 3.88Å; W165-F168 HydrophobicContact CE3-CG 3.88Å; W165-F168 AromaticContact CZ3-CD1 3.55Å; W165-F168 HydrophobicContact CZ3-CD1 3.55Å; W165-F168 AromaticContact CZ3-CE1 3.74Å; W165-F168 HydrophobicContact CZ3-CE1 3.74Å; W165-F168 HydrophobicContact CZ3-CG 4.12Å; W165-F168 HydrophobicContact CZ3-CZ 4.43Å; W165-F168 WeakPolarHBondContact O-CB 3.42Å; W165-F168 PolarHBondContact O-N 2.68Å; W165-F168 VanDerWaalsContact O-N 3.08Å; W165-F227 HydrophobicContact CE3-CD1 4.47Å; W165-F227 HydrophobicContact CE3-CE1 4.46Å; W165-F227 HydrophobicContact CH2-CB 3.94Å; W165-F227 AromaticContact CH2-CD1 3.61Å; W165-F227 HydrophobicContact CH2-CD1 3.61Å; W165-F227 HydrophobicContact CH2-CE1 4.25Å; W165-F227 AromaticContact CH2-CG 3.78Å; W165-F227 HydrophobicContact CH2-CG 3.78Å; W165-F227 AromaticContact CZ3-CD1 3.37Å; W165-F227 HydrophobicContact CZ3-CD1 3.37Å; W165-F227 AromaticContact CZ3-CE1 3.72Å; W165-F227 HydrophobicContact CZ3-CE1 3.72Å; W165-F227 HydrophobicContact CZ3-CG 4.05Å
166	D	84.6	Confident	89.6	Confident	149 Å²	149	48.2 Å²	48.2	80%	0.797	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	119.2	-174.1	-62.4	-43.3	0	0	0	111.2	S164 F168	S164-D166 PolarHBondContact OG-N 2.81Å; S164-D166 PolarHBondContact OG-OD2 3.22Å; D166-F168 PolarHBondContact O-N 3.13Å
167	G	82.1	Confident	89.8	Confident	89 Å²	89	47 Å²	47	92%	0.918	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	16.1	-179.7	0	0	0	0	0	115	W165	W165-G167 PolarHBondContact O-N 3.36Å; W165-G167 VanDerWaalsContact O-N 3.17Å
168	F	90.5	Very high	89.8	Confident	31 Å²	31	46.5 Å²	46.5	14%	0.136	29%	0.286	C	S	.	.			trans	-71.6	137.2	-176.9	177.5	-100.4	0	0	0	113	P143 W165 D166 R172 F227 C229 S317	P143-F168 HydrophobicContact CG-CD1 4.48Å; W165-F168 HydrophobicContact CE3-CB 4.12Å; W165-F168 AromaticContact CE3-CD1 3.56Å; W165-F168 HydrophobicContact CE3-CD1 3.56Å; W165-F168 HydrophobicContact CE3-CE1 4.25Å; W165-F168 AromaticContact CE3-CG 3.88Å; W165-F168 HydrophobicContact CE3-CG 3.88Å; W165-F168 AromaticContact CZ3-CD1 3.55Å; W165-F168 HydrophobicContact CZ3-CD1 3.55Å; W165-F168 AromaticContact CZ3-CE1 3.74Å; W165-F168 HydrophobicContact CZ3-CE1 3.74Å; W165-F168 HydrophobicContact CZ3-CG 4.12Å; W165-F168 HydrophobicContact CZ3-CZ 4.43Å; W165-F168 WeakPolarHBondContact O-CB 3.42Å; W165-F168 PolarHBondContact O-N 2.68Å; W165-F168 VanDerWaalsContact O-N 3.08Å; D166-F168 PolarHBondContact O-N 3.13Å; F168-R172 HydrophobicContact CE1-CB 4.35Å; F168-R172 HydrophobicContact CE2-CB 3.92Å; F168-R172 HydrophobicContact CZ-CB 3.58Å; F168-F227 HydrophobicContact CD1-CD1 4.36Å; F168-F227 HydrophobicContact CD1-CE1 4.14Å; F168-F227 AromaticContact CE1-CD1 3.65Å; F168-F227 HydrophobicContact CE1-CD1 3.65Å; F168-F227 AromaticContact CE1-CE1 3.74Å; F168-F227 HydrophobicContact CE1-CE1 3.74Å; F168-F227 HydrophobicContact CZ-CD1 4.47Å; F168-C229 HydrophobicContact CE1-CB 4.49Å; F168-S317 WeakPolarHBondContact CE2-OG 3.42Å
169	S	89.3	Confident	89.9	Confident	68 Å²	68	48.9 Å²	48.9	48%	0.476	30%	0.297	S	S	.	.			trans	-147.5	149.5	168.3	177.4	0	0	0	0	109.7
170	G	94.9	Very high	90	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	27%	0.265	C	S	.	.	S	Bend	trans	105.9	-142.4	179.7	0	0	0	0	0	113.1	C229	G170-C229 PolarHBondContact N-SG 3.28Å; G170-C229 WeakPolarHBondContact O-CB 3.49Å; G170-C229 PolarHBondContact O-N 3.18Å; G170-C229 PolarHBondContact O-SG 2.99Å; G170-C229 VanDerWaalsContact O-SG 3.34Å
171	V	97.1	Very high	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.9	-178.6	-173.6	0	0	0	0	109.9	V226 F227 F228 V232 L269 L272 P315 L316 S317	V171-V226 HydrophobicContact CG1-CG1 4Å; V171-F227 CarbonylContact C-O 3.59Å; V171-F227 VanDerWaalsContact CA-O 3.31Å; V171-F227 WeakPolarHBondContact CA-O 3.36Å; V171-F227 WeakPolarHBondContact CG1-O 3.42Å; V171-F228 HydrophobicContact CB-CD1 4.35Å; V171-F228 HydrophobicContact CG1-CD1 3.83Å; V171-F228 HydrophobicContact CG1-CE1 3.75Å; V171-F228 HydrophobicContact CG1-CG 4.47Å; V171-F228 HydrophobicContact CG1-CZ 4.35Å; V171-F228 HydrophobicContact CG2-CD1 3.56Å; V171-F228 HydrophobicContact CG2-CE1 3.99Å; V171-F228 HydrophobicContact CG2-CG 4.49Å; V171-V232 HydrophobicContact CG2-CB 4.22Å; V171-V232 HydrophobicContact CG2-CG1 3.75Å; V171-V232 HydrophobicContact CG2-CG2 4.02Å; V171-L269 HydrophobicContact CG1-CD2 3.68Å; V171-L272 HydrophobicContact CB-CD1 3.96Å; V171-L272 HydrophobicContact CG1-CD1 4.35Å; V171-L272 HydrophobicContact CG2-CD1 3.52Å; V171-P315 PolarHBondContact N-O 3.28Å; V171-L316 HydrophobicContact CB-CD1 3.76Å; V171-L316 HydrophobicContact CG1-CD1 3.58Å; V171-L316 WeakPolarHBondContact O-CA 3.43Å; V171-S317 PolarHBondContact O-N 3.35Å; V171-S317 PolarHBondContact O-OG 3.3Å
172	R	95.4	Very high	89.9	Confident	39 Å²	39	43.5 Å²	43.5	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125	178.4	-176.6	166	-80.1	-179.7	-7.6	110.4	S164 F168 L174 F227 S317 V319	S164-R172 PolarHBondContact O-NH1 2.98Å; F168-R172 HydrophobicContact CE1-CB 4.35Å; F168-R172 HydrophobicContact CE2-CB 3.92Å; F168-R172 HydrophobicContact CZ-CB 3.58Å; R172-L174 HydrophobicContact CG-CD1 4.41Å; R172-F227 PolarHBondContact N-O 3.49Å; R172-F227 PolarHBondContact O-N 3.41Å; R172-S317 WeakPolarHBondContact CA-O 3.28Å; R172-S317 PolarHBondContact NE-OG 3.05Å; R172-V319 HydrophobicContact CG-CG2 3.8Å
173	V	95.3	Very high	90.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	140.5	174.5	-66.4	0	0	0	0	109.4	Y189 V197 V226 L269 L316 S317 L318 V319	V173-Y189 HydrophobicContact CB-CE1 4.2Å; V173-Y189 HydrophobicContact CB-CE2 4.27Å; V173-Y189 HydrophobicContact CG1-CE1 4.21Å; V173-Y189 HydrophobicContact CG2-CD1 4.15Å; V173-Y189 HydrophobicContact CG2-CD2 4.47Å; V173-Y189 HydrophobicContact CG2-CE1 3.86Å; V173-Y189 HydrophobicContact CG2-CE2 4.15Å; V173-Y189 HydrophobicContact CG2-CG 4.45Å; V173-V197 HydrophobicContact CG2-CG2 4.03Å; V173-V226 HydrophobicContact CG1-CG1 4.06Å; V173-V226 HydrophobicContact CG1-CG2 4.2Å; V173-L269 HydrophobicContact CG1-CD1 3.74Å; V173-L269 HydrophobicContact CG1-CD2 4.17Å; V173-L316 HydrophobicContact CG1-CD1 3.86Å; V173-L316 HydrophobicContact CG2-CD1 4.43Å; V173-S317 WeakPolarHBondContact CG2-O 3.34Å; V173-S317 PolarHBondContact N-O 2.96Å; V173-L318 HydrophobicContact CG2-CB 4.34Å; V173-L318 HydrophobicContact CG2-CD1 3.81Å; V173-V319 PolarHBondContact O-N 3.46Å
174	L	93.8	Very high	89.8	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.3	171.3	-81.4	64.3	0	0	0	109.2	I138 W147 R172 G224 P225 V319 I321	I138-L174 HydrophobicContact CB-CD2 4.46Å; I138-L174 HydrophobicContact CD1-CD2 4.14Å; I138-L174 HydrophobicContact CG1-CD2 4.21Å; I138-L174 HydrophobicContact CG2-CD2 3.47Å; I138-L174 VanDerWaalsContact CG2-CD2 3.47Å; W147-L174 HydrophobicContact CH2-CD1 4.37Å; W147-L174 HydrophobicContact CZ3-CD1 4.17Å; R172-L174 HydrophobicContact CG-CD1 4.41Å; L174-G224 VanDerWaalsContact O-CA 3.25Å; L174-G224 WeakPolarHBondContact O-CA 3.49Å; L174-G224 PolarHBondContact O-N 2.94Å; L174-P225 HydrophobicContact CD2-CB 4.42Å; L174-P225 HydrophobicContact CD2-CG 4.28Å; L174-P225 PolarHBondContact N-O 3.33Å; L174-V319 WeakPolarHBondContact CA-O 3.48Å; L174-V319 HydrophobicContact CG-CB 4.46Å; L174-I321 HydrophobicContact CD2-CD1 3.98Å; L174-I321 HydrophobicContact CG-CD1 4.34Å
175	A	93.4	Very high	89.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.4	172.5	0	0	0	0	0	110.8	Y189 P220 L221 L318 V319 Y320 I321	A175-Y189 HydrophobicContact CB-CD2 3.89Å; A175-Y189 HydrophobicContact CB-CE2 4.19Å; A175-P220 HydrophobicContact CB-CB 3.71Å; A175-L221 VanDerWaalsContact CB-O 3.31Å; A175-L221 WeakPolarHBondContact CB-O 3.25Å; A175-L318 HydrophobicContact CB-CD1 3.56Å; A175-V319 PolarHBondContact N-O 2.98Å; A175-Y320 HydrophobicContact CB-CD2 4.46Å; A175-Y320 WeakPolarHBondContact O-CA 3.27Å; A175-I321 PolarHBondContact O-N 2.81Å
176	V	92.7	Very high	88.8	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	25%	0.248	C	C	.	.			trans	-109.8	159.5	172.1	-61.8	0	0	0	0	110.7	L155 G178 L221 S223 Y326	L155-V176 HydrophobicContact CD1-CG1 3.95Å; V176-G178 PolarHBondContact O-N 3.03Å; V176-L221 HydrophobicContact CG2-CD1 4.29Å; V176-L221 PolarHBondContact O-N 3.39Å; V176-L221 VanDerWaalsContact O-N 3.09Å; V176-S223 WeakPolarHBondContact CG2-OG 3.42Å; V176-Y326 HydrophobicContact CG2-CG 4.38Å
177	P	92.4	Very high	89	Confident	25 Å²	25	33.2 Å²	33.2	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	129.1	174.5	-20.4	26.1	0	0	0	112.3	K218 Y320 I321	P177-K218 HydrophobicContact CB-CB 3.82Å; P177-K218 HydrophobicContact CB-CG 3.94Å; P177-Y320 WeakPolarHBondContact CA-OH 3.46Å; P177-Y320 HydrophobicContact CB-CE2 4.38Å; P177-Y320 WeakPolarHBondContact CB-OH 3.49Å; P177-Y320 HydrophobicContact CG-CE1 4.38Å; P177-Y320 HydrophobicContact CG-CE2 4.13Å; P177-Y320 VanDerWaalsContact CG-OH 3.3Å; P177-Y320 WeakPolarHBondContact CG-OH 3.34Å; P177-I321 WeakPolarHBondContact CD-O 3.43Å
178	G	90.9	Very high	89.5	Confident	4 Å²	4	29 Å²	29	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.6	170.2	0	0	0	0	0	113	V176 K218 V219	V176-G178 PolarHBondContact O-N 3.03Å; G178-K218 WeakPolarHBondContact O-CB 3.39Å; G178-V219 PolarHBondContact N-O 2.8Å; G178-V219 WeakPolarHBondContact O-CG2 3.38Å; G178-V219 PolarHBondContact O-N 2.89Å
179	D	90.5	Very high	89.7	Confident	83 Å²	83	27.5 Å²	27.5	44%	0.444	16%	0.159	S	C	.	.			trans	-74.9	145.9	166.2	-77.3	-62.3	0	0	0	110.9	S181 Y182 A183 K218	D179-S181 PolarHBondContact O-N 3.37Å; D179-S181 VanDerWaalsContact O-N 3.17Å; D179-Y182 PolarHBondContact O-N 3.35Å; D179-A183 WeakPolarHBondContact O-CB 3.28Å; D179-A183 PolarHBondContact O-N 2.98Å; D179-K218 IonicContact OD1-NZ 2.86Å; D179-K218 PolarHBondContact OD1-NZ 3.43Å; D179-K218 IonicContact OD2-NZ 3.33Å; D179-K218 PolarHBondContact OD2-NZ 3.49Å
180	V	88.6	Confident	89.9	Confident	23 Å²	23	25.4 Å²	25.4	14%	0.139	14%	0.143	C	C	.	.	H	α-helix	trans	-54.8	-37.7	-179.1	175.4	0	0	0	0	112	A184 R206 I209 Q210 V219	V180-A184 PolarHBondContact O-N 3.07Å; V180-R206 HydrophobicContact CG1-CG 3.78Å; V180-I209 HydrophobicContact CB-CG2 4.39Å; V180-I209 HydrophobicContact CG1-CB 4.32Å; V180-I209 HydrophobicContact CG1-CG2 3.87Å; V180-I209 HydrophobicContact CG2-CG2 4.46Å; V180-Q210 HydrophobicContact CG1-CG 4.32Å; V180-Q210 HydrophobicContact CG2-CG 4.39Å; V180-V219 HydrophobicContact CG2-CG1 4.13Å
181	S	86.1	Confident	89.8	Confident	96 Å²	96	26.9 Å²	26.9	67%	0.671	15%	0.153	S	C	*	.	H	α-helix	trans	-67.8	-42.1	177	49.7	0	0	0	0	112.7	D179 A184	D179-S181 PolarHBondContact O-N 3.37Å; D179-S181 VanDerWaalsContact O-N 3.17Å; S181-A184 WeakPolarHBondContact O-CB 3.27Å; S181-A184 PolarHBondContact O-N 3.3Å
182	Y	84	Confident	89.5	Confident	72 Å²	72	29.3 Å²	29.3	28%	0.282	17%	0.166	S	C	.	.	H	α-helix	trans	-70.9	-35.4	178	-174.6	-99.1	0	0	0	111.9	D179 A184 D185 H186 L221 Y326 Y328	D179-Y182 PolarHBondContact O-N 3.35Å; Y182-A184 PolarHBondContact O-N 3.32Å; Y182-D185 PolarHBondContact O-N 2.95Å; Y182-H186 AromaticContact CD1-ND1 3.91Å; Y182-H186 AromaticContact CE1-CE1 3.57Å; Y182-H186 AromaticContact CE1-ND1 3.67Å; Y182-H186 AromaticContact CE2-CE1 3.69Å; Y182-H186 AromaticContact CZ-CE1 3.31Å; Y182-H186 AromaticContact CZ-ND1 3.89Å; Y182-H186 AromaticContact CZ-NE2 3.75Å; Y182-H186 PolarHBondContact O-ND1 2.96Å; Y182-H186 PolarHBondContact OH-NE2 3.46Å; Y182-L221 HydrophobicContact CD1-CD1 3.86Å; Y182-L221 HydrophobicContact CD1-CD2 4.32Å; Y182-L221 HydrophobicContact CE1-CD1 3.94Å; Y182-Y326 HydrophobicContact CE1-CD1 4.22Å; Y182-Y328 WeakPolarHBondContact OH-CB 3.36Å
183	A	85.6	Confident	89	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-24.3	177.7	0	0	0	0	0	113.4	D179 D185 H186 G187 V188 I209 V219 L221	D179-A183 WeakPolarHBondContact O-CB 3.28Å; D179-A183 PolarHBondContact O-N 2.98Å; A183-D185 PolarHBondContact O-N 3.15Å; A183-H186 PolarHBondContact O-N 3.27Å; A183-H186 VanDerWaalsContact O-N 3.14Å; A183-G187 PolarHBondContact O-N 2.92Å; A183-V188 HydrophobicContact CB-CG1 3.65Å; A183-I209 HydrophobicContact CB-CG2 4.06Å; A183-V219 HydrophobicContact CB-CG2 3.52Å; A183-L221 HydrophobicContact CB-CD2 3.45Å; A183-L221 VanDerWaalsContact CB-CD2 3.45Å
184	A	82.6	Confident	88.5	Confident	35 Å²	35	40.9 Å²	40.9	29%	0.289	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30	175.8	0	0	0	0	0	112.6	V180 S181 Y182 R203 I209	V180-A184 PolarHBondContact O-N 3.07Å; S181-A184 WeakPolarHBondContact O-CB 3.27Å; S181-A184 PolarHBondContact O-N 3.3Å; Y182-A184 PolarHBondContact O-N 3.32Å; A184-R203 WeakPolarHBondContact O-CA 3.44Å; A184-I209 HydrophobicContact CB-CD1 4.03Å
185	D	76.6	Confident	88.3	Confident	104 Å²	104	41.6 Å²	41.6	56%	0.556	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-13.5	180	-66.2	-45.5	0	0	0	114.2	Y182 A183	Y182-D185 PolarHBondContact O-N 2.95Å; A183-D185 PolarHBondContact O-N 3.15Å
186	H	78.9	Confident	88.3	Confident	23 Å²	23	46.3 Å²	46.3	11%	0.106	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-29.4	-170.1	-63.4	81	0	0	0	114	Y182 A183 Y202 L221 Y326 Y328	Y182-H186 AromaticContact CD1-ND1 3.91Å; Y182-H186 AromaticContact CE1-CE1 3.57Å; Y182-H186 AromaticContact CE1-ND1 3.67Å; Y182-H186 AromaticContact CE2-CE1 3.69Å; Y182-H186 AromaticContact CZ-CE1 3.31Å; Y182-H186 AromaticContact CZ-ND1 3.89Å; Y182-H186 AromaticContact CZ-NE2 3.75Å; Y182-H186 PolarHBondContact O-ND1 2.96Å; Y182-H186 PolarHBondContact OH-NE2 3.46Å; A183-H186 PolarHBondContact O-N 3.27Å; A183-H186 VanDerWaalsContact O-N 3.14Å; H186-Y202 WeakPolarHBondContact O-CD2 3.44Å; H186-Y202 VanDerWaalsContact O-CE2 3.29Å; H186-Y202 WeakPolarHBondContact O-CE2 3.35Å; H186-L221 HydrophobicContact CB-CD2 4.45Å; H186-Y326 AromaticContact CD2-CE1 3.74Å; H186-Y326 AromaticContact NE2-CE1 3.97Å; H186-Y328 AromaticContact NE2-CD1 3.8Å; H186-Y328 AromaticContact NE2-CG 3.67Å
187	G	87.9	Confident	88.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.262	C	S	.	.			trans	91.9	165.7	-174.2	0	0	0	0	0	114.3	A183 I201 V222	A183-G187 PolarHBondContact O-N 2.92Å; G187-I201 CarbonylContact C-O 3.55Å; G187-I201 WeakPolarHBondContact CA-O 3.46Å; G187-V222 PolarHBondContact O-N 3.38Å
188	V	93.1	Very high	88.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.5	-179.6	-61	0	0	0	0	112.7	A183 I201 I209 A212 V219 P220	A183-V188 HydrophobicContact CB-CG1 3.65Å; V188-I201 HydrophobicContact CG2-CB 3.9Å; V188-I201 HydrophobicContact CG2-CD1 4.41Å; V188-I201 PolarHBondContact N-O 3.49Å; V188-I201 PolarHBondContact O-N 3.45Å; V188-I209 HydrophobicContact CG1-CG2 3.93Å; V188-I209 HydrophobicContact CG2-CG1 4.39Å; V188-I209 HydrophobicContact CG2-CG2 4.35Å; V188-A212 HydrophobicContact CB-CB 4.14Å; V188-A212 HydrophobicContact CG2-CB 3.79Å; V188-V219 HydrophobicContact CG1-CB 3.81Å; V188-V219 HydrophobicContact CG1-CG2 3.58Å; V188-P220 VanDerWaalsContact CA-O 3.3Å; V188-P220 WeakPolarHBondContact CA-O 3.36Å
189	Y	94.3	Very high	88.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.5	169.6	-65.1	-72.1	0	0	0	110.5	V173 A175 V197 I200 P220 L221 V222 L318	V173-Y189 HydrophobicContact CB-CE1 4.2Å; V173-Y189 HydrophobicContact CB-CE2 4.27Å; V173-Y189 HydrophobicContact CG1-CE1 4.21Å; V173-Y189 HydrophobicContact CG2-CD1 4.15Å; V173-Y189 HydrophobicContact CG2-CD2 4.47Å; V173-Y189 HydrophobicContact CG2-CE1 3.86Å; V173-Y189 HydrophobicContact CG2-CE2 4.15Å; V173-Y189 HydrophobicContact CG2-CG 4.45Å; A175-Y189 HydrophobicContact CB-CD2 3.89Å; A175-Y189 HydrophobicContact CB-CE2 4.19Å; Y189-V197 HydrophobicContact CD1-CG1 4.11Å; Y189-I200 HydrophobicContact CD1-CD1 4.35Å; Y189-I200 HydrophobicContact CD1-CG1 3.91Å; Y189-I200 HydrophobicContact CE1-CD1 4Å; Y189-I200 HydrophobicContact CE1-CG1 4.06Å; Y189-P220 PolarHBondContact N-O 2.94Å; Y189-P220 WeakPolarHBondContact O-CG 3.11Å; Y189-L221 WeakPolarHBondContact CE2-O 3.39Å; Y189-V222 HydrophobicContact CD1-CG2 4.2Å; Y189-V222 HydrophobicContact CD2-CG2 4.03Å; Y189-V222 HydrophobicContact CE1-CG2 4.07Å; Y189-V222 HydrophobicContact CE2-CB 4.23Å; Y189-V222 HydrophobicContact CE2-CG2 3.96Å; Y189-V222 HydrophobicContact CG-CG2 4.17Å; Y189-L318 HydrophobicContact CD2-CD1 3.78Å; Y189-L318 HydrophobicContact CE2-CD1 4.4Å; Y189-L318 HydrophobicContact CG-CD1 4.07Å
190	L	93.8	Very high	88.6	Confident	24 Å²	24	47.7 Å²	47.7	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.4	166.3	-171.8	66.2	0	0	0	108.1	V197 R198 D199 R211 A212	L190-V197 CarbonylContact O-C 3.55Å; L190-R198 HydrophobicContact CD2-CB 4.49Å; L190-R198 HydrophobicContact CG-CB 4.41Å; L190-R198 PolarHBondContact O-N 3.46Å; L190-D199 HydrophobicContact CB-CB 4.39Å; L190-D199 HydrophobicContact CD2-CB 4.46Å; L190-D199 PolarHBondContact N-O 3.48Å; L190-D199 PolarHBondContact O-N 3.06Å; L190-R211 HydrophobicContact CD1-CB 4.39Å; L190-A212 HydrophobicContact CD1-CB 4.32Å
191	S	93.1	Very high	88.6	Confident	32 Å²	32	47.2 Å²	47.2	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	158.5	179.6	60.5	0	0	0	0	112.2	W196	S191-W196 CarbonylContact C-O 3.39Å; S191-W196 WeakPolarHBondContact CA-O 3.17Å; S191-W196 WeakPolarHBondContact CB-O 3.5Å
192	D	90.7	Very high	88.5	Confident	52 Å²	52	46.9 Å²	46.9	28%	0.278	24%	0.24	S	C	.	.			trans	-84.6	-179.8	170	73.1	11.8	0	0	0	112.2	Q194 G195 W196 R198	D192-Q194 PolarHBondContact O-N 3.31Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.41Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.29Å; D192-Q194 PolarHBondContact OD1-N 3.48Å; D192-G195 PolarHBondContact O-N 3.36Å; D192-G195 PolarHBondContact OD1-N 2.95Å; D192-W196 PolarHBondContact N-O 3.47Å; D192-W196 PolarHBondContact OD1-N 3.3Å; D192-R198 HydrophobicContact CB-CG 4.21Å
193	S	85.4	Confident	88	Confident	131 Å²	131	50.7 Å²	50.7	92%	0.916	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-14.1	-179.7	55.5	0	0	0	0	114.5
194	Q	84.8	Confident	87.8	Confident	151 Å²	151	51.4 Å²	51.4	71%	0.706	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-2.8	176	-62.1	-176.8	-5.8	0	0	112	D192 W196	D192-Q194 PolarHBondContact O-N 3.31Å; D192-Q194 WeakPolarHBondContact OD1-CA 3.41Å; D192-Q194 WeakPolarHBondContact OD1-CB 3.29Å; D192-Q194 PolarHBondContact OD1-N 3.48Å; Q194-W196 VanDerWaalsContact OE1-NE1 3.14Å
195	G	88.6	Confident	87.9	Confident	17 Å²	17	53.1 Å²	53.1	18%	0.175	27%	0.268	C	S	.	.	S	Bend	trans	83.6	13.2	-178.2	0	0	0	0	0	113.9	D192 S317 L318	D192-G195 PolarHBondContact O-N 3.36Å; D192-G195 PolarHBondContact OD1-N 2.95Å; G195-S317 CarbonylContact O-C 3.55Å; G195-S317 WeakPolarHBondContact O-CA 3.49Å; G195-L318 PolarHBondContact O-N 3.49Å
196	W	93.7	Very high	88.4	Confident	99 Å²	99	56.2 Å²	56.2	38%	0.375	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-77.2	135	171.3	-57.9	112.8	0	0	0	110.3	S191 D192 Q194 R198 P315	S191-W196 CarbonylContact C-O 3.39Å; S191-W196 WeakPolarHBondContact CA-O 3.17Å; S191-W196 WeakPolarHBondContact CB-O 3.5Å; D192-W196 PolarHBondContact N-O 3.47Å; D192-W196 PolarHBondContact OD1-N 3.3Å; Q194-W196 VanDerWaalsContact OE1-NE1 3.14Å; W196-R198 PolarHBondContact O-N 2.98Å; W196-P315 HydrophobicContact CE3-CB 4.14Å; W196-P315 HydrophobicContact CH2-CB 3.91Å; W196-P315 HydrophobicContact CZ3-CB 3.47Å; W196-P315 VanDerWaalsContact CZ3-CB 3.47Å; W196-P315 HydrophobicContact CZ3-CG 4.45Å
197	V	94.8	Very high	88.8	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	117.3	-178	-176.5	0	0	0	0	109.9	V173 Y189 L190 I200 C273 S274 L316 L318	V173-V197 HydrophobicContact CG2-CG2 4.03Å; Y189-V197 HydrophobicContact CD1-CG1 4.11Å; L190-V197 CarbonylContact O-C 3.55Å; V197-I200 HydrophobicContact CG1-CG1 4.38Å; V197-C273 WeakPolarHBondContact O-CA 3.39Å; V197-S274 PolarHBondContact O-N 2.84Å; V197-L316 HydrophobicContact CB-CB 4.45Å; V197-L316 HydrophobicContact CB-CD2 3.7Å; V197-L316 HydrophobicContact CB-CG 3.76Å; V197-L316 HydrophobicContact CG1-CD2 3.96Å; V197-L316 HydrophobicContact CG2-CD2 4.1Å; V197-L316 HydrophobicContact CG2-CG 3.79Å; V197-L316 PolarHBondContact N-O 2.69Å; V197-L318 HydrophobicContact CG2-CB 3.89Å
198	R	94.1	Very high	88.8	Confident	104 Å²	104	64.5 Å²	64.5	39%	0.392	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-41.8	-180	-71	-172	61.6	-177.7	-5.7	113.2	L190 D192 W196 C273 S274 D275	L190-R198 HydrophobicContact CD2-CB 4.49Å; L190-R198 HydrophobicContact CG-CB 4.41Å; L190-R198 PolarHBondContact O-N 3.46Å; D192-R198 HydrophobicContact CB-CG 4.21Å; W196-R198 PolarHBondContact O-N 2.98Å; R198-C273 WeakPolarHBondContact O-CB 3.36Å; R198-S274 WeakPolarHBondContact CA-OG 3.12Å; R198-S274 PolarHBondContact O-N 3.31Å; R198-D275 IonicContact CZ-OD1 3.92Å; R198-D275 IonicContact CZ-OD2 2.68Å; R198-D275 VanDerWaalsContact NE-CG 3.29Å; R198-D275 IonicContact NE-OD1 3.39Å; R198-D275 PolarHBondContact NE-OD1 3.43Å; R198-D275 IonicContact NE-OD2 3.84Å; R198-D275 PolarHBondContact NE-OD2 2.94Å; R198-D275 IonicContact NH2-OD1 2.64Å; R198-D275 IonicContact NH2-OD2 3.34Å; R198-D275 PolarHBondContact NH2-OD2 3.48Å; R198-D275 VanDerWaalsContact O-CB 3.32Å; R198-D275 WeakPolarHBondContact O-CB 3.49Å; R198-D275 PolarHBondContact O-N 3.2Å
199	D	92.2	Very high	88.7	Confident	35 Å²	35	64.5 Å²	64.5	19%	0.187	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	166.7	178.9	-165	15.4	0	0	0	111.3	L190 K270	L190-D199 HydrophobicContact CB-CB 4.39Å; L190-D199 HydrophobicContact CD2-CB 4.46Å; L190-D199 PolarHBondContact N-O 3.48Å; L190-D199 PolarHBondContact O-N 3.06Å; D199-K270 VanDerWaalsContact OD1-CE 3.27Å; D199-K270 WeakPolarHBondContact OD1-CE 3.38Å; D199-K270 IonicContact OD1-NZ 2.91Å
200	I	91.8	Very high	88.5	Confident	2 Å²	2	69 Å²	69	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.5	174	-59.3	173.2	0	0	0	108.5	Y189 V197 V222 F265 L269 K270	Y189-I200 HydrophobicContact CD1-CD1 4.35Å; Y189-I200 HydrophobicContact CD1-CG1 3.91Å; Y189-I200 HydrophobicContact CE1-CD1 4Å; Y189-I200 HydrophobicContact CE1-CG1 4.06Å; V197-I200 HydrophobicContact CG1-CG1 4.38Å; I200-V222 HydrophobicContact CG2-CG2 3.83Å; I200-F265 WeakPolarHBondContact CD1-O 3.46Å; I200-L269 HydrophobicContact CD1-CB 3.81Å; I200-K270 HydrophobicContact CD1-CB 4.42Å
201	I	88.6	Confident	88.4	Confident	12 Å²	12	74.9 Å²	74.9	6%	0.062	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.5	179.8	-58.7	172.2	0	0	0	108	G187 V188 E208 I209	G187-I201 CarbonylContact C-O 3.55Å; G187-I201 WeakPolarHBondContact CA-O 3.46Å; V188-I201 HydrophobicContact CG2-CB 3.9Å; V188-I201 HydrophobicContact CG2-CD1 4.41Å; V188-I201 PolarHBondContact N-O 3.49Å; V188-I201 PolarHBondContact O-N 3.45Å; I201-E208 HydrophobicContact CD1-CB 4.46Å; I201-E208 WeakPolarHBondContact CD1-O 3.46Å; I201-E208 HydrophobicContact CG2-CB 4.15Å; I201-I209 HydrophobicContact CG2-CG1 4.45Å
202	Y	83.6	Confident	88.3	Confident	89 Å²	89	73.8 Å²	73.8	35%	0.349	35%	0.345	S	S	.	.	S	Bend	trans	-111.6	122.7	-179	-170.8	-98.7	0	0	0	110.8	H186 G204 L266	H186-Y202 WeakPolarHBondContact O-CD2 3.44Å; H186-Y202 VanDerWaalsContact O-CE2 3.29Å; H186-Y202 WeakPolarHBondContact O-CE2 3.35Å; Y202-G204 PolarHBondContact O-N 3.1Å; Y202-L266 HydrophobicContact CD1-CD1 4.27Å; Y202-L266 HydrophobicContact CD2-CD2 4.5Å; Y202-L266 HydrophobicContact CG-CD2 4.03Å
203	R	75	Confident	88.4	Confident	152 Å²	152	75.8 Å²	75.8	57%	0.574	36%	0.356	S	S	*	.	S	Bend	trans	51.2	35.7	-172.6	-62.7	-177.2	170.7	-161.8	-7.3	113.9	A184	A184-R203 WeakPolarHBondContact O-CA 3.44Å
204	G	79.8	Confident	88.6	Confident	15 Å²	15	71.7 Å²	71.7	16%	0.155	32%	0.323	C	S	.	.			trans	-70.3	167.6	176.6	0	0	0	0	0	112.6	Y202 E208 I209	Y202-G204 PolarHBondContact O-N 3.1Å; G204-E208 WeakPolarHBondContact CA-OE2 3.44Å; G204-I209 WeakPolarHBondContact O-CD1 3.47Å
205	T	85.4	Confident	88.7	Confident	71 Å²	71	71.1 Å²	71.1	44%	0.436	33%	0.332	S	S	.	.			trans	-66.2	163.8	173.8	82.5	0	0	0	0	110.9	E207 E208 I209	T205-E207 VanDerWaalsContact CB-OE2 3.27Å; T205-E207 WeakPolarHBondContact CB-OE2 3.28Å; T205-E207 PolarHBondContact O-N 3.22Å; T205-E207 PolarHBondContact OG1-N 3.44Å; T205-E207 PolarHBondContact OG1-OE2 2.78Å; T205-E208 PolarHBondContact N-OE2 3.48Å; T205-E208 PolarHBondContact O-N 3.27Å; T205-E208 VanDerWaalsContact O-N 3.07Å; T205-E208 PolarHBondContact OG1-N 2.92Å; T205-I209 WeakPolarHBondContact O-CG1 3.19Å; T205-I209 PolarHBondContact O-N 2.68Å
206	R	86.6	Confident	88.6	Confident	169 Å²	169	74 Å²	74	64%	0.638	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-39.8	178.1	-171.3	178.7	-176.2	176.1	0.9	111.5	V180 I209 Q210	V180-R206 HydrophobicContact CG1-CG 3.78Å; R206-I209 PolarHBondContact O-N 2.8Å; R206-Q210 WeakPolarHBondContact O-CB 3.28Å; R206-Q210 VanDerWaalsContact O-CG 3.25Å; R206-Q210 WeakPolarHBondContact O-CG 3.34Å; R206-Q210 PolarHBondContact O-N 2.72Å
207	E	87	Confident	88.5	Confident	122 Å²	122	71.2 Å²	71.2	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-65.4	-39.9	178.3	-58.9	71.1	-150.4	0	0	111.1	T205	T205-E207 VanDerWaalsContact CB-OE2 3.27Å; T205-E207 WeakPolarHBondContact CB-OE2 3.28Å; T205-E207 PolarHBondContact O-N 3.22Å; T205-E207 PolarHBondContact OG1-N 3.44Å; T205-E207 PolarHBondContact OG1-OE2 2.78Å
208	E	88	Confident	88.4	Confident	75 Å²	75	74.2 Å²	74.2	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-44	178.2	-67	177.7	138.6	0	0	111.8	I201 G204 T205 Q210 R211	I201-E208 HydrophobicContact CD1-CB 4.46Å; I201-E208 WeakPolarHBondContact CD1-O 3.46Å; I201-E208 HydrophobicContact CG2-CB 4.15Å; G204-E208 WeakPolarHBondContact CA-OE2 3.44Å; T205-E208 PolarHBondContact N-OE2 3.48Å; T205-E208 PolarHBondContact O-N 3.27Å; T205-E208 VanDerWaalsContact O-N 3.07Å; T205-E208 PolarHBondContact OG1-N 2.92Å; E208-Q210 VanDerWaalsContact C-N 3.34Å; E208-R211 WeakPolarHBondContact O-CB 3.44Å; E208-R211 PolarHBondContact O-N 2.88Å; E208-R211 PolarHBondContact O-NE 2.94Å
209	I	90.6	Very high	88.4	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-37.5	178.9	-67.3	169.8	0	0	0	111.2	V180 A183 A184 V188 I201 G204 T205 R206 R211 A212 V219	V180-I209 HydrophobicContact CB-CG2 4.39Å; V180-I209 HydrophobicContact CG1-CB 4.32Å; V180-I209 HydrophobicContact CG1-CG2 3.87Å; V180-I209 HydrophobicContact CG2-CG2 4.46Å; A183-I209 HydrophobicContact CB-CG2 4.06Å; A184-I209 HydrophobicContact CB-CD1 4.03Å; V188-I209 HydrophobicContact CG1-CG2 3.93Å; V188-I209 HydrophobicContact CG2-CG1 4.39Å; V188-I209 HydrophobicContact CG2-CG2 4.35Å; I201-I209 HydrophobicContact CG2-CG1 4.45Å; G204-I209 WeakPolarHBondContact O-CD1 3.47Å; T205-I209 WeakPolarHBondContact O-CG1 3.19Å; T205-I209 PolarHBondContact O-N 2.68Å; R206-I209 PolarHBondContact O-N 2.8Å; I209-R211 PolarHBondContact O-N 2.99Å; I209-R211 VanDerWaalsContact O-N 3.15Å; I209-A212 PolarHBondContact O-N 3.07Å; I209-V219 HydrophobicContact CG2-CG1 4.14Å; I209-V219 HydrophobicContact CG2-CG2 4.18Å
210	Q	91.3	Very high	88.4	Confident	94 Å²	94	67.7 Å²	67.7	44%	0.439	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-20.7	177	-81.3	176.3	-16.7	0	0	113.6	V180 R206 E208 A212 L213	V180-Q210 HydrophobicContact CG1-CG 4.32Å; V180-Q210 HydrophobicContact CG2-CG 4.39Å; R206-Q210 WeakPolarHBondContact O-CB 3.28Å; R206-Q210 VanDerWaalsContact O-CG 3.25Å; R206-Q210 WeakPolarHBondContact O-CG 3.34Å; R206-Q210 PolarHBondContact O-N 2.72Å; E208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-A212 PolarHBondContact O-N 3.09Å; Q210-L213 WeakPolarHBondContact O-CB 3.29Å; Q210-L213 PolarHBondContact O-N 3.27Å
211	R	90.6	Very high	88.5	Confident	148 Å²	148	67.7 Å²	67.7	56%	0.558	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.8	173.4	-63.5	-176.2	-68.9	168.1	-8.2	113.2	L190 E208 I209	L190-R211 HydrophobicContact CD1-CB 4.39Å; E208-R211 WeakPolarHBondContact O-CB 3.44Å; E208-R211 PolarHBondContact O-N 2.88Å; E208-R211 PolarHBondContact O-NE 2.94Å; I209-R211 PolarHBondContact O-N 2.99Å; I209-R211 VanDerWaalsContact O-N 3.15Å
212	A	91.9	Very high	88.4	Confident	8 Å²	8	67.6 Å²	67.6	7%	0.066	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	17	178.4	0	0	0	0	0	113.1	V188 L190 I209 Q210 M214 P220	V188-A212 HydrophobicContact CB-CB 4.14Å; V188-A212 HydrophobicContact CG2-CB 3.79Å; L190-A212 HydrophobicContact CD1-CB 4.32Å; I209-A212 PolarHBondContact O-N 3.07Å; Q210-A212 PolarHBondContact O-N 3.09Å; A212-M214 PolarHBondContact O-N 3.14Å; A212-P220 WeakPolarHBondContact O-CD 3.46Å
213	L	92.1	Very high	87.6	Confident	95 Å²	95	63.6 Å²	63.6	50%	0.497	32%	0.316	S	S	.	.			trans	-63.5	126.5	-178.9	-154.3	92.4	0	0	0	111.1	Q210 V219	Q210-L213 WeakPolarHBondContact O-CB 3.29Å; Q210-L213 PolarHBondContact O-N 3.27Å; L213-V219 HydrophobicContact CD1-CG1 4.36Å
214	M	89.8	Confident	87.6	Confident	45 Å²	45	56.6 Å²	56.6	22%	0.222	29%	0.292	C	S	.	.			trans	-88.9	164.9	174.9	-60.9	-61.7	-73.3	0	0	110.4	A212 D216 G217 K218 P220 Y320	A212-M214 PolarHBondContact O-N 3.14Å; M214-D216 WeakPolarHBondContact CB-OD1 3.44Å; M214-D216 PolarHBondContact O-N 3.39Å; M214-G217 PolarHBondContact O-N 3.04Å; M214-K218 WeakPolarHBondContact CB-O 3.46Å; M214-K218 PolarHBondContact N-O 3.11Å; M214-P220 HydrophobicContact CG-CG 4.43Å; M214-P220 HydrophobicContact SD-CG 4.43Å; M214-Y320 HydrophobicContact CB-CE1 4.31Å; M214-Y320 HydrophobicContact CE-CD1 4.01Å; M214-Y320 HydrophobicContact CE-CE1 4.5Å; M214-Y320 HydrophobicContact CE-CG 4.05Å; M214-Y320 HydrophobicContact CG-CE1 4.33Å; M214-Y320 HydrophobicContact CG-CE2 4.23Å
215	P	87	Confident	88.2	Confident	138 Å²	138	56 Å²	56	90%	0.896	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.1	-178.5	-27.1	36.1	0	0	0	115.5	G217	P215-G217 VanDerWaalsContact C-N 3.28Å
216	D	87.6	Confident	88.7	Confident	77 Å²	77	52.6 Å²	52.6	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.6	176.3	64.8	-4.4	0	0	0	113.5	M214 K218 Y320	M214-D216 WeakPolarHBondContact CB-OD1 3.44Å; M214-D216 PolarHBondContact O-N 3.39Å; D216-K218 VanDerWaalsContact C-N 3.25Å; D216-K218 PolarHBondContact O-N 2.76Å; D216-K218 WeakPolarHBondContact OD1-CB 3.42Å; D216-K218 PolarHBondContact OD1-N 2.54Å; D216-Y320 VanDerWaalsContact CG-OH 3.3Å; D216-Y320 PolarHBondContact OD1-OH 3.45Å; D216-Y320 VanDerWaalsContact OD2-CE1 3.29Å; D216-Y320 WeakPolarHBondContact OD2-CE1 3.3Å; D216-Y320 PolarHBondContact OD2-OH 3.17Å
217	G	89.7	Confident	89.2	Confident	41 Å²	41	44.6 Å²	44.6	42%	0.423	23%	0.234	S	C	.	.	S	Bend	trans	76.8	7.8	-179.1	0	0	0	0	0	114.3	M214 P215	M214-G217 PolarHBondContact O-N 3.04Å; P215-G217 VanDerWaalsContact C-N 3.28Å
218	K	93.3	Very high	89.7	Confident	66 Å²	66	38.9 Å²	38.9	29%	0.287	21%	0.207	S	C	.	.			trans	-105.5	171.2	176.2	-60.8	-68.6	-176	175.2	0	110.3	P177 G178 D179 M214 D216 Y320	P177-K218 HydrophobicContact CB-CB 3.82Å; P177-K218 HydrophobicContact CB-CG 3.94Å; G178-K218 WeakPolarHBondContact O-CB 3.39Å; D179-K218 IonicContact OD1-NZ 2.86Å; D179-K218 PolarHBondContact OD1-NZ 3.43Å; D179-K218 IonicContact OD2-NZ 3.33Å; D179-K218 PolarHBondContact OD2-NZ 3.49Å; M214-K218 WeakPolarHBondContact CB-O 3.46Å; M214-K218 PolarHBondContact N-O 3.11Å; D216-K218 VanDerWaalsContact C-N 3.25Å; D216-K218 PolarHBondContact O-N 2.76Å; D216-K218 WeakPolarHBondContact OD1-CB 3.42Å; D216-K218 PolarHBondContact OD1-N 2.54Å; K218-Y320 WeakPolarHBondContact CB-OH 3.48Å
219	V	93.8	Very high	90.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.1	176.5	-64.6	0	0	0	0	110.7	G178 V180 A183 V188 I209 L213 L221	G178-V219 PolarHBondContact N-O 2.8Å; G178-V219 WeakPolarHBondContact O-CG2 3.38Å; G178-V219 PolarHBondContact O-N 2.89Å; V180-V219 HydrophobicContact CG2-CG1 4.13Å; A183-V219 HydrophobicContact CB-CG2 3.52Å; V188-V219 HydrophobicContact CG1-CB 3.81Å; V188-V219 HydrophobicContact CG1-CG2 3.58Å; I209-V219 HydrophobicContact CG2-CG1 4.14Å; I209-V219 HydrophobicContact CG2-CG2 4.18Å; L213-V219 HydrophobicContact CD1-CG1 4.36Å; V219-L221 PolarHBondContact O-N 3.06Å
220	P	93.9	Very high	90.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	101.6	-179.3	32.5	-34.3	0	0	0	110	A175 V188 Y189 A212 M214 L318 Y320	A175-P220 HydrophobicContact CB-CB 3.71Å; V188-P220 VanDerWaalsContact CA-O 3.3Å; V188-P220 WeakPolarHBondContact CA-O 3.36Å; Y189-P220 PolarHBondContact N-O 2.94Å; Y189-P220 WeakPolarHBondContact O-CG 3.11Å; A212-P220 WeakPolarHBondContact O-CD 3.46Å; M214-P220 HydrophobicContact CG-CG 4.43Å; M214-P220 HydrophobicContact SD-CG 4.43Å; P220-L318 HydrophobicContact CB-CD2 4.01Å; P220-L318 HydrophobicContact CG-CD2 4.21Å; P220-Y320 HydrophobicContact CB-CD2 3.84Å; P220-Y320 HydrophobicContact CB-CE2 4.11Å
221	L	91.9	Very high	90.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-64.7	142.3	-176.8	-70	174.6	0	0	0	112.6	A175 V176 Y182 A183 H186 Y189 V219 S223	A175-L221 VanDerWaalsContact CB-O 3.31Å; A175-L221 WeakPolarHBondContact CB-O 3.25Å; V176-L221 HydrophobicContact CG2-CD1 4.29Å; V176-L221 PolarHBondContact O-N 3.39Å; V176-L221 VanDerWaalsContact O-N 3.09Å; Y182-L221 HydrophobicContact CD1-CD1 3.86Å; Y182-L221 HydrophobicContact CD1-CD2 4.32Å; Y182-L221 HydrophobicContact CE1-CD1 3.94Å; A183-L221 HydrophobicContact CB-CD2 3.45Å; A183-L221 VanDerWaalsContact CB-CD2 3.45Å; H186-L221 HydrophobicContact CB-CD2 4.45Å; Y189-L221 WeakPolarHBondContact CE2-O 3.39Å; V219-L221 PolarHBondContact O-N 3.06Å; L221-S223 WeakPolarHBondContact CB-OG 3.49Å; L221-S223 PolarHBondContact O-N 2.98Å; L221-S223 PolarHBondContact O-OG 3.33Å
222	V	86.4	Confident	90.6	Very high	10 Å²	10	30.5 Å²	30.5	6%	0.061	18%	0.178	C	C	.	.	S	Bend	trans	-76.7	80	166.4	179.9	0	0	0	0	107.9	G187 Y189 I200 F265	G187-V222 PolarHBondContact O-N 3.38Å; Y189-V222 HydrophobicContact CD1-CG2 4.2Å; Y189-V222 HydrophobicContact CD2-CG2 4.03Å; Y189-V222 HydrophobicContact CE1-CG2 4.07Å; Y189-V222 HydrophobicContact CE2-CB 4.23Å; Y189-V222 HydrophobicContact CE2-CG2 3.96Å; Y189-V222 HydrophobicContact CG-CG2 4.17Å; I200-V222 HydrophobicContact CG2-CG2 3.83Å; V222-F265 HydrophobicContact CG1-CB 4.23Å; V222-F265 HydrophobicContact CG1-CD1 3.39Å; V222-F265 HydrophobicContact CG1-CD2 4.41Å; V222-F265 HydrophobicContact CG1-CE1 3.79Å; V222-F265 HydrophobicContact CG1-CG 3.75Å; V222-F265 HydrophobicContact CG1-CZ 4.44Å
223	S	68.1	Low	90.8	Very high	5 Å²	5	30.2 Å²	30.2	4%	0.035	18%	0.175	C	C	.	.			trans	-150.6	7.3	-165.8	68.2	0	0	0	0	114.9	V176 L221 Y326	V176-S223 WeakPolarHBondContact CG2-OG 3.42Å; L221-S223 WeakPolarHBondContact CB-OG 3.49Å; L221-S223 PolarHBondContact O-N 2.98Å; L221-S223 PolarHBondContact O-OG 3.33Å; S223-Y326 VanDerWaalsContact CB-CD2 3.49Å; S223-Y326 VanDerWaalsContact CB-CE2 3.47Å; S223-Y326 WeakPolarHBondContact O-CD2 3.37Å; S223-Y326 WeakPolarHBondContact O-CE2 3.29Å
224	G	74.9	Confident	91	Very high	6 Å²	6	28.1 Å²	28.1	6%	0.062	16%	0.163	C	C	.	.	S	Bend	trans	-116.6	172.5	-168.5	0	0	0	0	0	116.8	L174	L174-G224 VanDerWaalsContact O-CA 3.25Å; L174-G224 WeakPolarHBondContact O-CA 3.49Å; L174-G224 PolarHBondContact O-N 2.94Å
225	P	92	Very high	91.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	17%	0.167	C	C	.	.			trans	-56.3	144.3	167	-22.3	31.9	0	0	0	112.2	L134 I138 W147 L155 L174	L134-P225 HydrophobicContact CD2-CB 4.03Å; L134-P225 HydrophobicContact CD2-CG 3.73Å; I138-P225 HydrophobicContact CD1-CG 4.25Å; W147-P225 HydrophobicContact CE3-CB 3.94Å; W147-P225 HydrophobicContact CZ3-CB 3.86Å; L155-P225 HydrophobicContact CD2-CG 4.06Å; L174-P225 HydrophobicContact CD2-CB 4.42Å; L174-P225 HydrophobicContact CD2-CG 4.28Å; L174-P225 PolarHBondContact N-O 3.33Å
226	V	96.1	Very high	91.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.8	178.5	-174.2	0	0	0	0	108.6	W147 V148 V171 V173 F228 L264 F265 L269	W147-V226 CarbonylContact C-O 3.4Å; W147-V226 WeakPolarHBondContact CA-O 3.3Å; V148-V226 PolarHBondContact N-O 2.99Å; V148-V226 PolarHBondContact O-N 3.45Å; V171-V226 HydrophobicContact CG1-CG1 4Å; V173-V226 HydrophobicContact CG1-CG1 4.06Å; V173-V226 HydrophobicContact CG1-CG2 4.2Å; V226-F228 HydrophobicContact CB-CE2 4.13Å; V226-F228 HydrophobicContact CG1-CD2 4.14Å; V226-F228 HydrophobicContact CG1-CE1 4.37Å; V226-F228 HydrophobicContact CG1-CE2 3.44Å; V226-F228 VanDerWaalsContact CG1-CE2 3.44Å; V226-F228 HydrophobicContact CG1-CZ 3.58Å; V226-L264 HydrophobicContact CG2-CD2 4.44Å; V226-F265 HydrophobicContact CG2-CE1 4.21Å; V226-L269 HydrophobicContact CG1-CD1 4.17Å; V226-L269 HydrophobicContact CG1-CD2 3.89Å; V226-L269 HydrophobicContact CG2-CD1 4.02Å
227	F	97.3	Very high	92	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.5	174.5	178.8	-106.6	0	0	0	111	P143 V146 W147 W165 F168 V171 R172 C229	P143-F227 HydrophobicContact CG-CE1 3.89Å; P143-F227 HydrophobicContact CG-CZ 3.89Å; P143-F227 VanDerWaalsContact O-CZ 3.25Å; P143-F227 WeakPolarHBondContact O-CZ 3.23Å; V146-F227 WeakPolarHBondContact O-CA 3.42Å; W147-F227 AromaticContact CD1-CD2 3.55Å; W147-F227 AromaticContact CD1-CE2 3.95Å; W147-F227 HydrophobicContact CD2-CB 3.96Å; W147-F227 AromaticContact CD2-CD2 3.77Å; W147-F227 HydrophobicContact CD2-CD2 3.77Å; W147-F227 HydrophobicContact CD2-CG 4.29Å; W147-F227 AromaticContact CE2-CD2 3.42Å; W147-F227 VanDerWaalsContact CE2-CD2 3.42Å; W147-F227 AromaticContact CE2-CG 3.94Å; W147-F227 HydrophobicContact CE3-CB 3.89Å; W147-F227 AromaticContact CG-CD2 3.88Å; W147-F227 HydrophobicContact CG-CD2 3.88Å; W147-F227 HydrophobicContact CH2-CB 3.91Å; W147-F227 HydrophobicContact CZ2-CB 3.96Å; W147-F227 AromaticContact CZ2-CD2 3.99Å; W147-F227 HydrophobicContact CZ2-CD2 3.99Å; W147-F227 HydrophobicContact CZ2-CG 4.09Å; W147-F227 HydrophobicContact CZ3-CB 3.85Å; W147-F227 AromaticContact NE1-CD2 3.27Å; W147-F227 VanDerWaalsContact NE1-CD2 3.27Å; W147-F227 AromaticContact NE1-CE2 3.65Å; W165-F227 HydrophobicContact CE3-CD1 4.47Å; W165-F227 HydrophobicContact CE3-CE1 4.46Å; W165-F227 HydrophobicContact CH2-CB 3.94Å; W165-F227 AromaticContact CH2-CD1 3.61Å; W165-F227 HydrophobicContact CH2-CD1 3.61Å; W165-F227 HydrophobicContact CH2-CE1 4.25Å; W165-F227 AromaticContact CH2-CG 3.78Å; W165-F227 HydrophobicContact CH2-CG 3.78Å; W165-F227 AromaticContact CZ3-CD1 3.37Å; W165-F227 HydrophobicContact CZ3-CD1 3.37Å; W165-F227 AromaticContact CZ3-CE1 3.72Å; W165-F227 HydrophobicContact CZ3-CE1 3.72Å; W165-F227 HydrophobicContact CZ3-CG 4.05Å; F168-F227 HydrophobicContact CD1-CD1 4.36Å; F168-F227 HydrophobicContact CD1-CE1 4.14Å; F168-F227 AromaticContact CE1-CD1 3.65Å; F168-F227 HydrophobicContact CE1-CD1 3.65Å; F168-F227 AromaticContact CE1-CE1 3.74Å; F168-F227 HydrophobicContact CE1-CE1 3.74Å; F168-F227 HydrophobicContact CZ-CD1 4.47Å; V171-F227 CarbonylContact C-O 3.59Å; V171-F227 VanDerWaalsContact CA-O 3.31Å; V171-F227 WeakPolarHBondContact CA-O 3.36Å; V171-F227 WeakPolarHBondContact CG1-O 3.42Å; R172-F227 PolarHBondContact N-O 3.49Å; R172-F227 PolarHBondContact O-N 3.41Å; F227-C229 HydrophobicContact CE1-CB 4.05Å
228	F	97.5	Very high	92.1	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.7	171.4	-59.4	-90.7	0	0	0	108.3	G145 V146 V148 V171 V226 V232 S233 M236 L264 L269	G145-F228 CarbonylContact C-O 3.57Å; G145-F228 WeakPolarHBondContact CA-O 3.5Å; V146-F228 HydrophobicContact CB-CB 4.44Å; V146-F228 PolarHBondContact N-O 3.01Å; V146-F228 PolarHBondContact O-N 3.27Å; V148-F228 HydrophobicContact CB-CE2 4.36Å; V148-F228 HydrophobicContact CG2-CD2 4Å; V148-F228 HydrophobicContact CG2-CE2 3.73Å; V171-F228 HydrophobicContact CB-CD1 4.35Å; V171-F228 HydrophobicContact CG1-CD1 3.83Å; V171-F228 HydrophobicContact CG1-CE1 3.75Å; V171-F228 HydrophobicContact CG1-CG 4.47Å; V171-F228 HydrophobicContact CG1-CZ 4.35Å; V171-F228 HydrophobicContact CG2-CD1 3.56Å; V171-F228 HydrophobicContact CG2-CE1 3.99Å; V171-F228 HydrophobicContact CG2-CG 4.49Å; V226-F228 HydrophobicContact CB-CE2 4.13Å; V226-F228 HydrophobicContact CG1-CD2 4.14Å; V226-F228 HydrophobicContact CG1-CE1 4.37Å; V226-F228 HydrophobicContact CG1-CE2 3.44Å; V226-F228 VanDerWaalsContact CG1-CE2 3.44Å; V226-F228 HydrophobicContact CG1-CZ 3.58Å; F228-V232 HydrophobicContact CD1-CG1 3.86Å; F228-S233 PolarHBondContact O-OG 3.19Å; F228-M236 HydrophobicContact CB-SD 4.33Å; F228-M236 HydrophobicContact CD1-SD 3.47Å; F228-M236 WeakPolarHBondContact CD1-SD 3.31Å; F228-M236 HydrophobicContact CD2-SD 4.31Å; F228-M236 HydrophobicContact CE1-CE 4.41Å; F228-M236 HydrophobicContact CE1-SD 3.76Å; F228-M236 HydrophobicContact CE2-CE 4.45Å; F228-M236 HydrophobicContact CG-SD 3.78Å; F228-M236 HydrophobicContact CZ-CE 4.38Å; F228-M236 HydrophobicContact CZ-SD 4.29Å; F228-L264 HydrophobicContact CE2-CD1 4.17Å; F228-L264 HydrophobicContact CZ-CD1 3.86Å; F228-L269 HydrophobicContact CE1-CD2 4.09Å; F228-L269 HydrophobicContact CZ-CD2 4Å
229	C	95.9	Very high	92	Very high	9 Å²	9	18.9 Å²	18.9	6%	0.061	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	161.9	174.1	76.7	0	0	0	0	111.3	F168 G170 F227 S231 V232 S233	F168-C229 HydrophobicContact CE1-CB 4.49Å; G170-C229 PolarHBondContact N-SG 3.28Å; G170-C229 WeakPolarHBondContact O-CB 3.49Å; G170-C229 PolarHBondContact O-N 3.18Å; G170-C229 PolarHBondContact O-SG 2.99Å; G170-C229 VanDerWaalsContact O-SG 3.34Å; F227-C229 HydrophobicContact CE1-CB 4.05Å; C229-S231 VanDerWaalsContact C-N 3.29Å; C229-S231 PolarHBondContact O-N 3.22Å; C229-S231 VanDerWaalsContact O-N 3.09Å; C229-S231 PolarHBondContact SG-OG 3.43Å; C229-V232 PolarHBondContact O-N 2.72Å; C229-S233 PolarHBondContact O-N 2.89Å; C229-S233 PolarHBondContact O-OG 2.6Å
230	R	94.1	Very high	91.9	Very high	78 Å²	78	20.3 Å²	20.3	29%	0.294	10%	0.101	S	C	.	.	H	α-helix	trans	-39.1	-51	178.5	-177.3	-82	-164.4	-172.4	3.9	114.6	L85 D86 P144 V232 S233 E234	L85-R230 HydrophobicContact CB-CG 4.31Å; D86-R230 IonicContact OD1-CZ 3.6Å; D86-R230 IonicContact OD1-NE 3.99Å; D86-R230 PolarHBondContact OD1-NE 2.9Å; D86-R230 IonicContact OD1-NH2 3.66Å; D86-R230 PolarHBondContact OD1-NH2 2.99Å; D86-R230 IonicContact OD2-NH2 3.68Å; P144-R230 PolarHBondContact O-N 3.19Å; R230-V232 VanDerWaalsContact C-N 3.31Å; R230-V232 PolarHBondContact O-N 2.81Å; R230-S233 PolarHBondContact O-N 2.81Å; R230-E234 IonicContact CZ-OE2 3.12Å; R230-E234 IonicContact NH1-OE2 2.84Å; R230-E234 PolarHBondContact NH1-OE2 3.35Å; R230-E234 WeakPolarHBondContact O-CB 3.23Å; R230-E234 PolarHBondContact O-N 3.48Å
231	S	93.6	Very high	91.8	Very high	52 Å²	52	24.9 Å²	24.9	36%	0.364	13%	0.128	S	C	.	.	H	α-helix	trans	-67.8	-29.1	-175.4	62.3	0	0	0	0	113.6	C229 K235	C229-S231 VanDerWaalsContact C-N 3.29Å; C229-S231 PolarHBondContact O-N 3.22Å; C229-S231 VanDerWaalsContact O-N 3.09Å; C229-S231 PolarHBondContact SG-OG 3.43Å; S231-K235 WeakPolarHBondContact O-CG 2.98Å
232	V	95.9	Very high	91.8	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	13%	0.133	C	C	.	.	H	α-helix	trans	-80.8	-40	174	-174.8	0	0	0	0	110.4	V171 F228 C229 R230 E234 K235 M236 L311 A314	V171-V232 HydrophobicContact CG2-CB 4.22Å; V171-V232 HydrophobicContact CG2-CG1 3.75Å; V171-V232 HydrophobicContact CG2-CG2 4.02Å; F228-V232 HydrophobicContact CD1-CG1 3.86Å; C229-V232 PolarHBondContact O-N 2.72Å; R230-V232 VanDerWaalsContact C-N 3.31Å; R230-V232 PolarHBondContact O-N 2.81Å; V232-E234 VanDerWaalsContact C-N 3.3Å; V232-E234 PolarHBondContact O-N 3.17Å; V232-K235 WeakPolarHBondContact O-CB 3.03Å; V232-K235 PolarHBondContact O-N 2.94Å; V232-M236 HydrophobicContact CG1-SD 4.36Å; V232-M236 WeakPolarHBondContact O-CG 3.5Å; V232-M236 PolarHBondContact O-N 3Å; V232-L311 HydrophobicContact CG1-CD2 4.28Å; V232-A314 HydrophobicContact CG2-CB 3.81Å
233	S	96.8	Very high	92	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-38.6	175.5	-56.7	0	0	0	0	112.3	L64 V146 F228 C229 R230 M236 L237	L64-S233 WeakPolarHBondContact CD2-O 3.48Å; V146-S233 VanDerWaalsContact CG2-OG 3.26Å; V146-S233 WeakPolarHBondContact CG2-OG 3.25Å; F228-S233 PolarHBondContact O-OG 3.19Å; C229-S233 PolarHBondContact O-N 2.89Å; C229-S233 PolarHBondContact O-OG 2.6Å; R230-S233 PolarHBondContact O-N 2.81Å; S233-M236 WeakPolarHBondContact O-CB 3.46Å; S233-M236 PolarHBondContact O-N 3.22Å; S233-L237 WeakPolarHBondContact O-CB 3.36Å; S233-L237 PolarHBondContact O-N 3.02Å
234	E	94.9	Very high	93.1	Very high	51 Å²	51	30.2 Å²	30.2	24%	0.238	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-46.4	172.9	172.9	177.8	-173.8	0	0	112.1	A82 R230 V232 M236 L237 Q238	A82-E234 HydrophobicContact CB-CB 4.14Å; A82-E234 HydrophobicContact CB-CG 3.64Å; R230-E234 IonicContact CZ-OE2 3.12Å; R230-E234 IonicContact NH1-OE2 2.84Å; R230-E234 PolarHBondContact NH1-OE2 3.35Å; R230-E234 WeakPolarHBondContact O-CB 3.23Å; R230-E234 PolarHBondContact O-N 3.48Å; V232-E234 VanDerWaalsContact C-N 3.3Å; V232-E234 PolarHBondContact O-N 3.17Å; E234-M236 VanDerWaalsContact C-N 3.32Å; E234-M236 PolarHBondContact O-N 3.25Å; E234-L237 WeakPolarHBondContact O-CB 3.44Å; E234-L237 PolarHBondContact O-N 3.36Å; E234-L237 VanDerWaalsContact O-N 3.16Å; E234-Q238 WeakPolarHBondContact O-CG 3.27Å; E234-Q238 PolarHBondContact O-N 3.38Å
235	K	94.8	Very high	93.9	Very high	70 Å²	70	29.9 Å²	29.9	30%	0.304	16%	0.161	S	C	.	.	H	α-helix	trans	-61.5	-41	175.7	-72.4	173.6	166.4	-156.2	0	111.8	S231 V232 L237 Q238 I310 L311	S231-K235 WeakPolarHBondContact O-CG 2.98Å; V232-K235 WeakPolarHBondContact O-CB 3.03Å; V232-K235 PolarHBondContact O-N 2.94Å; K235-L237 VanDerWaalsContact C-N 3.34Å; K235-Q238 PolarHBondContact O-N 3.2Å; K235-I310 HydrophobicContact CB-CG2 3.82Å; K235-I310 WeakPolarHBondContact CD-O 3.39Å; K235-I310 PolarHBondContact NZ-O 3.13Å; K235-I310 WeakPolarHBondContact O-CG2 3.23Å; K235-L311 HydrophobicContact CB-CD2 4.02Å
236	M	95.9	Very high	93.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-42.1	173.8	-70.5	172.7	63.8	0	0	111.3	T60 L61 L64 F228 V232 S233 E234 Q238 T239 L268 L311	T60-M236 HydrophobicContact CG2-CE 3.69Å; L61-M236 HydrophobicContact CD2-CB 3.84Å; L61-M236 HydrophobicContact CD2-CE 3.99Å; L61-M236 HydrophobicContact CD2-CG 4.3Å; L64-M236 HydrophobicContact CD2-CB 3.83Å; F228-M236 HydrophobicContact CB-SD 4.33Å; F228-M236 HydrophobicContact CD1-SD 3.47Å; F228-M236 WeakPolarHBondContact CD1-SD 3.31Å; F228-M236 HydrophobicContact CD2-SD 4.31Å; F228-M236 HydrophobicContact CE1-CE 4.41Å; F228-M236 HydrophobicContact CE1-SD 3.76Å; F228-M236 HydrophobicContact CE2-CE 4.45Å; F228-M236 HydrophobicContact CG-SD 3.78Å; F228-M236 HydrophobicContact CZ-CE 4.38Å; F228-M236 HydrophobicContact CZ-SD 4.29Å; V232-M236 HydrophobicContact CG1-SD 4.36Å; V232-M236 WeakPolarHBondContact O-CG 3.5Å; V232-M236 PolarHBondContact O-N 3Å; S233-M236 WeakPolarHBondContact O-CB 3.46Å; S233-M236 PolarHBondContact O-N 3.22Å; E234-M236 VanDerWaalsContact C-N 3.32Å; E234-M236 PolarHBondContact O-N 3.25Å; M236-Q238 VanDerWaalsContact C-N 3.31Å; M236-Q238 PolarHBondContact O-N 2.96Å; M236-T239 WeakPolarHBondContact O-CB 3.48Å; M236-T239 VanDerWaalsContact O-CG2 3.27Å; M236-T239 WeakPolarHBondContact O-CG2 3.47Å; M236-T239 PolarHBondContact O-N 3.37Å; M236-T239 PolarHBondContact O-OG1 2.92Å; M236-L268 HydrophobicContact CE-CD1 4.24Å; M236-L311 HydrophobicContact CG-CD2 3.92Å
237	L	94.5	Very high	93.6	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-39.1	177.5	-177.1	61.1	0	0	0	111.3	L64 L65 A68 V80 A82 L85 S233 E234 K235 T239 H240	L64-L237 HydrophobicContact CD2-CB 4.38Å; L64-L237 HydrophobicContact CG-CD1 4.49Å; L65-L237 HydrophobicContact CB-CD1 4.34Å; L65-L237 HydrophobicContact CD1-CD1 4.02Å; A68-L237 HydrophobicContact CB-CD1 3.81Å; A68-L237 HydrophobicContact CB-CD2 3.75Å; A68-L237 HydrophobicContact CB-CG 4.47Å; V80-L237 HydrophobicContact CG1-CD1 4.24Å; V80-L237 HydrophobicContact CG1-CD2 4.2Å; A82-L237 HydrophobicContact CB-CD2 4.21Å; L85-L237 HydrophobicContact CD1-CD2 4.35Å; S233-L237 WeakPolarHBondContact O-CB 3.36Å; S233-L237 PolarHBondContact O-N 3.02Å; E234-L237 WeakPolarHBondContact O-CB 3.44Å; E234-L237 PolarHBondContact O-N 3.36Å; E234-L237 VanDerWaalsContact O-N 3.16Å; K235-L237 VanDerWaalsContact C-N 3.34Å; L237-T239 PolarHBondContact O-N 3.07Å; L237-H240 PolarHBondContact O-N 3.26Å; L237-H240 PolarHBondContact O-ND1 3.11Å
238	Q	92.6	Very high	93.2	Very high	91 Å²	91	31.6 Å²	31.6	43%	0.425	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-57.7	-19.6	177.3	-70.1	172.1	6.2	0	0	114.4	E234 K235 M236 H240 V241 S242	E234-Q238 WeakPolarHBondContact O-CG 3.27Å; E234-Q238 PolarHBondContact O-N 3.38Å; K235-Q238 PolarHBondContact O-N 3.2Å; M236-Q238 VanDerWaalsContact C-N 3.31Å; M236-Q238 PolarHBondContact O-N 2.96Å; Q238-H240 PolarHBondContact O-N 3.21Å; Q238-V241 WeakPolarHBondContact O-CG2 3.14Å; Q238-V241 PolarHBondContact O-N 3.01Å; Q238-S242 PolarHBondContact O-OG 3.26Å
239	T	91.6	Very high	92.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.4	-24.5	179.7	63.9	0	0	0	0	113.6	L61 M236 L237 V241 S242 L245 D246 I310	L61-T239 HydrophobicContact CD1-CG2 4.41Å; L61-T239 HydrophobicContact CD2-CG2 4.38Å; M236-T239 WeakPolarHBondContact O-CB 3.48Å; M236-T239 VanDerWaalsContact O-CG2 3.27Å; M236-T239 WeakPolarHBondContact O-CG2 3.47Å; M236-T239 PolarHBondContact O-N 3.37Å; M236-T239 PolarHBondContact O-OG1 2.92Å; L237-T239 PolarHBondContact O-N 3.07Å; T239-V241 PolarHBondContact O-N 2.93Å; T239-V241 VanDerWaalsContact O-N 3.08Å; T239-S242 PolarHBondContact O-N 3.09Å; T239-L245 HydrophobicContact CG2-CD1 3.87Å; T239-L245 CarbonylContact O-C 3.29Å; T239-D246 PolarHBondContact O-N 3.15Å; T239-I310 HydrophobicContact CG2-CD1 4.09Å
240	H	91.2	Very high	92.7	Very high	31 Å²	31	33.1 Å²	33.1	14%	0.144	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-63	-17.3	-179	79.2	-74.8	0	0	0	114.5	L65 L237 Q238 D246 T249	L65-H240 HydrophobicContact CD1-CB 3.98Å; L65-H240 HydrophobicContact CD2-CB 3.87Å; L65-H240 HydrophobicContact CG-CB 4.41Å; L237-H240 PolarHBondContact O-N 3.26Å; L237-H240 PolarHBondContact O-ND1 3.11Å; Q238-H240 PolarHBondContact O-N 3.21Å; H240-D246 VanDerWaalsContact O-CB 3.29Å; H240-D246 WeakPolarHBondContact O-CB 3.37Å; H240-T249 HydrophobicContact CB-CG2 3.89Å
241	V	91.4	Very high	92.5	Very high	96 Å²	96	32.4 Å²	32.4	58%	0.582	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-117.9	14.7	176.1	-65.4	0	0	0	0	113	Q238 T239 P243	Q238-V241 WeakPolarHBondContact O-CG2 3.14Å; Q238-V241 PolarHBondContact O-N 3.01Å; T239-V241 PolarHBondContact O-N 2.93Å; T239-V241 VanDerWaalsContact O-N 3.08Å; V241-P243 WeakPolarHBondContact O-CD 3.42Å
242	S	91.8	Very high	92.4	Very high	16 Å²	16	30.1 Å²	30.1	11%	0.112	16%	0.162	C	C	.	.	S	Bend	trans	-116.3	94.3	-174	-57.7	0	0	0	0	111.4	Q238 T239 L245 D246	Q238-S242 PolarHBondContact O-OG 3.26Å; T239-S242 PolarHBondContact O-N 3.09Å; S242-L245 WeakPolarHBondContact O-CA 3.42Å; S242-L245 VanDerWaalsContact O-CB 3.26Å; S242-L245 WeakPolarHBondContact O-CB 3.3Å; S242-L245 PolarHBondContact O-N 3.22Å; S242-D246 PolarHBondContact O-N 2.89Å
243	P	90.9	Very high	92.1	Very high	90 Å²	90	31.8 Å²	31.8	58%	0.584	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	140.3	-179.7	-23.6	33.6	0	0	0	113.9	V241 D246	V241-P243 WeakPolarHBondContact O-CD 3.42Å; P243-D246 VanDerWaalsContact CA-OD1 3.29Å; P243-D246 WeakPolarHBondContact CA-OD1 3.24Å
244	P	91.6	Very high	91.8	Very high	23 Å²	23	36.8 Å²	36.8	15%	0.149	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.3	12.8	2	37	-36.3	0	0	0	114.8	D246 G247 L260 T299 A302	P244-D246 VanDerWaalsContact C-N 3.33Å; P244-D246 VanDerWaalsContact C-OD1 3.28Å; P244-G247 PolarHBondContact O-N 3.23Å; P244-L260 HydrophobicContact CB-CD2 4.35Å; P244-L260 HydrophobicContact CG-CD2 4.17Å; P244-L260 VanDerWaalsContact O-CD2 3.3Å; P244-L260 WeakPolarHBondContact O-CD2 3.39Å; P244-T299 HydrophobicContact CB-CG2 3.87Å; P244-T299 HydrophobicContact CG-CG2 4.22Å; P244-A302 HydrophobicContact CG-CB 4.05Å
245	L	91.8	Very high	91.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-74.4	-21.4	-178.1	-59.2	172.9	0	0	0	113.7	T239 S242 G247 C248 L260 I262 E306 L307 I310	T239-L245 HydrophobicContact CG2-CD1 3.87Å; T239-L245 CarbonylContact O-C 3.29Å; S242-L245 WeakPolarHBondContact O-CA 3.42Å; S242-L245 VanDerWaalsContact O-CB 3.26Å; S242-L245 WeakPolarHBondContact O-CB 3.3Å; S242-L245 PolarHBondContact O-N 3.22Å; L245-G247 PolarHBondContact O-N 3.4Å; L245-C248 VanDerWaalsContact O-CB 3.28Å; L245-C248 WeakPolarHBondContact O-CB 3.27Å; L245-C248 PolarHBondContact O-N 3.3Å; L245-L260 HydrophobicContact CD2-CD2 3.89Å; L245-I262 HydrophobicContact CD2-CD1 4.46Å; L245-E306 HydrophobicContact CD1-CB 3.92Å; L245-E306 HydrophobicContact CD1-CG 3.67Å; L245-E306 HydrophobicContact CG-CB 4.31Å; L245-E306 HydrophobicContact CG-CG 4.27Å; L245-L307 HydrophobicContact CD1-CD2 3.71Å; L245-L307 HydrophobicContact CD1-CG 3.9Å; L245-L307 HydrophobicContact CD2-CD1 4.18Å; L245-L307 HydrophobicContact CD2-CD2 3.99Å; L245-L307 HydrophobicContact CD2-CG 3.71Å; L245-L307 HydrophobicContact CG-CG 4.47Å; L245-I310 HydrophobicContact CD1-CD1 4.04Å
246	D	91.4	Very high	91.3	Very high	27 Å²	27	38.7 Å²	38.7	14%	0.144	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-55	-32.8	169.3	61.3	-25	0	0	0	111.7	T239 H240 S242 P243 P244 C248 T249 G252	T239-D246 PolarHBondContact O-N 3.15Å; H240-D246 VanDerWaalsContact O-CB 3.29Å; H240-D246 WeakPolarHBondContact O-CB 3.37Å; S242-D246 PolarHBondContact O-N 2.89Å; P243-D246 VanDerWaalsContact CA-OD1 3.29Å; P243-D246 WeakPolarHBondContact CA-OD1 3.24Å; P244-D246 VanDerWaalsContact C-N 3.33Å; P244-D246 VanDerWaalsContact C-OD1 3.28Å; D246-C248 PolarHBondContact O-N 3.28Å; D246-C248 VanDerWaalsContact O-N 3.08Å; D246-T249 PolarHBondContact O-N 3.33Å; D246-T249 PolarHBondContact O-OG1 3.07Å; D246-G252 WeakPolarHBondContact O-CA 3.36Å
247	G	89.7	Confident	91	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.031	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.1	-7.9	171.6	0	0	0	0	0	116.1	P244 L245 P258 L260	P244-G247 PolarHBondContact O-N 3.23Å; L245-G247 PolarHBondContact O-N 3.4Å; G247-P258 WeakPolarHBondContact CA-O 3.41Å; G247-L260 PolarHBondContact O-N 3.15Å
248	C	89.9	Confident	90.6	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.047	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-85.6	-13.3	169.5	-64.7	0	0	0	0	113.3	L61 L245 D246 L260 I262	L61-C248 HydrophobicContact CD1-CB 4.26Å; L245-C248 VanDerWaalsContact O-CB 3.28Å; L245-C248 WeakPolarHBondContact O-CB 3.27Å; L245-C248 PolarHBondContact O-N 3.3Å; D246-C248 PolarHBondContact O-N 3.28Å; D246-C248 VanDerWaalsContact O-N 3.08Å; C248-L260 PolarHBondContact SG-O 2.91Å; C248-I262 VanDerWaalsContact SG-CG1 3.56Å
249	T	91.4	Very high	90.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	26%	0.264	C	S	.	.	S	Bend	trans	-111.7	154.2	-172.6	69.9	0	0	0	0	112.1	L65 H240 D246 L251 G252 L253	L65-T249 HydrophobicContact CD2-CG2 4.06Å; H240-T249 HydrophobicContact CB-CG2 3.89Å; D246-T249 PolarHBondContact O-N 3.33Å; D246-T249 PolarHBondContact O-OG1 3.07Å; T249-L251 PolarHBondContact O-N 3.02Å; T249-G252 PolarHBondContact O-N 3.16Å; T249-G252 PolarHBondContact OG1-N 3.43Å; T249-L253 WeakPolarHBondContact O-CG 3.3Å; T249-L253 PolarHBondContact O-N 2.85Å; T249-L253 VanDerWaalsContact O-N 3.1Å
250	Y	90.1	Very high	90	Very high	43 Å²	43	41.9 Å²	41.9	17%	0.169	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-37	179.1	91.5	-97.1	0	0	0	112.1	R50 N62 L65 V66 E69 L253 D254	R50-Y250 PolarHBondContact NH1-O 3.36Å; N62-Y250 WeakPolarHBondContact OD1-CB 3.21Å; N62-Y250 PolarHBondContact OD1-N 3Å; L65-Y250 HydrophobicContact CD2-CD1 4.09Å; L65-Y250 HydrophobicContact CD2-CE1 4.01Å; L65-Y250 HydrophobicContact CG-CE1 4.39Å; V66-Y250 HydrophobicContact CG2-CD1 3.77Å; V66-Y250 HydrophobicContact CG2-CE1 3.88Å; E69-Y250 VanDerWaalsContact CD-OH 3.28Å; E69-Y250 PolarHBondContact OE1-OH 3.17Å; E69-Y250 PolarHBondContact OE2-OH 3.01Å; Y250-L253 PolarHBondContact O-N 3.36Å; Y250-D254 WeakPolarHBondContact O-CB 3.43Å; Y250-D254 PolarHBondContact O-N 3.36Å
251	L	90.8	Very high	89.7	Confident	64 Å²	64	42.6 Å²	42.6	34%	0.335	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-42.4	-178.8	-172.1	69.1	0	0	0	112	L65 T249 D254 S255	L65-L251 HydrophobicContact CD2-CB 4.06Å; T249-L251 PolarHBondContact O-N 3.02Å; L251-D254 PolarHBondContact O-N 3.28Å; L251-S255 WeakPolarHBondContact O-CB 3.5Å; L251-S255 PolarHBondContact O-N 3.45Å; L251-S255 PolarHBondContact O-OG 3.37Å
252	G	91.4	Very high	89.5	Confident	3 Å²	3	38 Å²	38	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-42.9	175.7	0	0	0	0	0	111.9	D246 T249 D254 S255 G256 A257	D246-G252 WeakPolarHBondContact O-CA 3.36Å; T249-G252 PolarHBondContact O-N 3.16Å; T249-G252 PolarHBondContact OG1-N 3.43Å; G252-D254 PolarHBondContact O-N 3.14Å; G252-S255 CarbonylContact O-C 3.58Å; G252-S255 WeakPolarHBondContact O-CA 3.36Å; G252-S255 WeakPolarHBondContact O-CB 3.33Å; G252-S255 PolarHBondContact O-N 3.25Å; G252-S255 VanDerWaalsContact O-N 3.09Å; G252-G256 PolarHBondContact O-N 3.13Å; G252-G256 VanDerWaalsContact O-N 3.15Å; G252-A257 VanDerWaalsContact O-CB 3.23Å; G252-A257 WeakPolarHBondContact O-CB 3.13Å; G252-A257 PolarHBondContact O-N 3.49Å
253	L	90	Very high	89.4	Confident	39 Å²	39	38.1 Å²	38.1	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-44.2	175.3	-67	176	0	0	0	112.2	R50 T249 Y250 S255 G256 P259	R50-L253 HydrophobicContact CB-CD1 3.79Å; T249-L253 WeakPolarHBondContact O-CG 3.3Å; T249-L253 PolarHBondContact O-N 2.85Å; T249-L253 VanDerWaalsContact O-N 3.1Å; Y250-L253 PolarHBondContact O-N 3.36Å; L253-S255 PolarHBondContact O-N 3.05Å; L253-G256 PolarHBondContact O-N 2.93Å; L253-P259 HydrophobicContact CD2-CB 4.17Å
254	D	90.1	Very high	89.4	Confident	106 Å²	106	34.1 Å²	34.1	57%	0.567	22%	0.215	S	C	*	.	H	α-helix	trans	-66.2	-24.9	176.4	-73	-11.3	0	0	0	112.3	R50 Y250 L251 G252 G256	R50-D254 IonicContact CZ-OD1 3.45Å; R50-D254 IonicContact CZ-OD2 3.64Å; R50-D254 IonicContact NH1-OD1 3.76Å; R50-D254 PolarHBondContact NH1-OD1 3.06Å; R50-D254 IonicContact NH1-OD2 3.63Å; R50-D254 PolarHBondContact NH1-OD2 3.13Å; R50-D254 IonicContact NH2-OD2 2.76Å; Y250-D254 WeakPolarHBondContact O-CB 3.43Å; Y250-D254 PolarHBondContact O-N 3.36Å; L251-D254 PolarHBondContact O-N 3.28Å; G252-D254 PolarHBondContact O-N 3.14Å; D254-G256 VanDerWaalsContact C-N 3.29Å
255	S	90.5	Very high	89.3	Confident	95 Å²	95	35.5 Å²	35.5	66%	0.664	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.2	174.2	-54.8	0	0	0	0	113.3	L251 G252 L253	L251-S255 WeakPolarHBondContact O-CB 3.5Å; L251-S255 PolarHBondContact O-N 3.45Å; L251-S255 PolarHBondContact O-OG 3.37Å; G252-S255 CarbonylContact O-C 3.58Å; G252-S255 WeakPolarHBondContact O-CA 3.36Å; G252-S255 WeakPolarHBondContact O-CB 3.33Å; G252-S255 PolarHBondContact O-N 3.25Å; G252-S255 VanDerWaalsContact O-N 3.09Å; L253-S255 PolarHBondContact O-N 3.05Å
256	G	89.1	Confident	89.1	Confident	66 Å²	66	36.1 Å²	36.1	68%	0.68	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	11.1	176.7	0	0	0	0	0	115.5	G252 L253 D254	G252-G256 PolarHBondContact O-N 3.13Å; G252-G256 VanDerWaalsContact O-N 3.15Å; L253-G256 PolarHBondContact O-N 2.93Å; D254-G256 VanDerWaalsContact C-N 3.29Å
257	A	88.5	Confident	89.1	Confident	15 Å²	15	34.9 Å²	34.9	12%	0.124	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-64.7	141	173	0	0	0	0	0	110.8	G252	G252-A257 VanDerWaalsContact O-CB 3.23Å; G252-A257 WeakPolarHBondContact O-CB 3.13Å; G252-A257 PolarHBondContact O-N 3.49Å
258	P	86.3	Confident	89.3	Confident	74 Å²	74	34.8 Å²	34.8	48%	0.481	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-68.1	144.6	175.8	29	-33.7	0	0	0	110.5	G247 L260	G247-P258 WeakPolarHBondContact CA-O 3.41Å; P258-L260 PolarHBondContact O-N 3.11Å
259	P	85.6	Confident	89.5	Confident	74 Å²	74	34.5 Å²	34.5	48%	0.481	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-62.7	135.5	178.2	29.1	-37.8	0	0	0	110.9	Q51 L253	Q51-P259 VanDerWaalsContact OE1-CB 3.28Å; Q51-P259 VanDerWaalsContact OE1-CG 3.22Å; L253-P259 HydrophobicContact CD2-CB 4.17Å
260	L	85.9	Confident	89.5	Confident	6 Å²	6	35 Å²	35	3%	0.031	21%	0.214	C	C	.	.			trans	-125.7	123.8	178.6	179.5	62.6	0	0	0	111	P244 L245 G247 C248 P258 I262 T299 V300	P244-L260 HydrophobicContact CB-CD2 4.35Å; P244-L260 HydrophobicContact CG-CD2 4.17Å; P244-L260 VanDerWaalsContact O-CD2 3.3Å; P244-L260 WeakPolarHBondContact O-CD2 3.39Å; L245-L260 HydrophobicContact CD2-CD2 3.89Å; G247-L260 PolarHBondContact O-N 3.15Å; C248-L260 PolarHBondContact SG-O 2.91Å; P258-L260 PolarHBondContact O-N 3.11Å; L260-I262 HydrophobicContact CD1-CD1 4.42Å; L260-I262 HydrophobicContact CD2-CD1 4.04Å; L260-I262 HydrophobicContact CD2-CG1 4.19Å; L260-I262 HydrophobicContact CG-CD1 4.01Å; L260-I262 HydrophobicContact CG-CG1 4.01Å; L260-T299 HydrophobicContact CD1-CG2 4.34Å; L260-V300 HydrophobicContact CD1-CG2 4.03Å
261	Q	85.5	Confident	89.6	Confident	47 Å²	47	33 Å²	33	22%	0.22	21%	0.206	C	C	.	.			trans	-87.7	120	178.4	-174.2	176.2	19.9	0	0	111.3	P53 P54 S290	P53-Q261 WeakPolarHBondContact O-CB 3.38Å; P53-Q261 VanDerWaalsContact O-CD 3.24Å; P53-Q261 WeakPolarHBondContact O-CG 3.32Å; P54-Q261 CarbonylContact O-C 3.59Å; P54-Q261 VanDerWaalsContact O-CA 3.29Å; P54-Q261 WeakPolarHBondContact O-CA 3.34Å; Q261-S290 PolarHBondContact OE1-OG 3.42Å
262	I	87.4	Confident	89.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.194	C	C	.	.			trans	-130.2	133.9	-179.8	-62	-62.9	0	0	0	110.3	P54 G55 S56 G57 G58 L245 C248 L260 D267 L268 L307	P54-I262 PolarHBondContact O-N 2.9Å; G55-I262 CarbonylContact C-O 3.57Å; G55-I262 VanDerWaalsContact CA-O 3.24Å; G55-I262 WeakPolarHBondContact CA-O 3.47Å; S56-I262 PolarHBondContact N-O 3.25Å; G57-I262 VanDerWaalsContact CA-O 3.26Å; G57-I262 WeakPolarHBondContact CA-O 3.28Å; G57-I262 PolarHBondContact N-O 3.23Å; G58-I262 PolarHBondContact N-O 2.88Å; L245-I262 HydrophobicContact CD2-CD1 4.46Å; C248-I262 VanDerWaalsContact SG-CG1 3.56Å; L260-I262 HydrophobicContact CD1-CD1 4.42Å; L260-I262 HydrophobicContact CD2-CD1 4.04Å; L260-I262 HydrophobicContact CD2-CG1 4.19Å; L260-I262 HydrophobicContact CG-CD1 4.01Å; L260-I262 HydrophobicContact CG-CG1 4.01Å; I262-D267 HydrophobicContact CG2-CB 3.64Å; I262-L268 HydrophobicContact CG2-CD2 4.41Å; I262-L268 HydrophobicContact CG2-CG 4.18Å; I262-L307 HydrophobicContact CD1-CD1 4.02Å; I262-L307 HydrophobicContact CG2-CD1 3.98Å
263	S	88.9	Confident	89.8	Confident	18 Å²	18	30.4 Å²	30.4	13%	0.126	19%	0.192	C	C	.	.			trans	-93.2	137.5	177.2	178	0	0	0	0	112.6	L266 D267 L268	S263-L266 WeakPolarHBondContact OG-CB 3.44Å; S263-L266 PolarHBondContact OG-N 2.93Å; S263-L266 VanDerWaalsContact OG-N 3.12Å; S263-D267 WeakPolarHBondContact CB-OD2 3.15Å; S263-D267 PolarHBondContact N-OD2 3.12Å; S263-D267 WeakPolarHBondContact O-CA 3.45Å; S263-D267 WeakPolarHBondContact O-CB 3.3Å; S263-D267 PolarHBondContact O-N 3.39Å; S263-L268 PolarHBondContact O-N 2.51Å
264	L	90.9	Very high	89.8	Confident	6 Å²	6	31.6 Å²	31.6	3%	0.031	20%	0.204	C	C	.	.	I	π-helix	trans	-61	-51	174.9	178.7	64.9	0	0	0	111	S56 G57 V148 V226 F228 L268 L269	S56-L264 WeakPolarHBondContact OG-CB 3.3Å; S56-L264 PolarHBondContact OG-N 3.3Å; G57-L264 VanDerWaalsContact N-N 3.13Å; V148-L264 HydrophobicContact CB-CD2 4.29Å; V148-L264 HydrophobicContact CG1-CD2 3.64Å; V226-L264 HydrophobicContact CG2-CD2 4.44Å; F228-L264 HydrophobicContact CE2-CD1 4.17Å; F228-L264 HydrophobicContact CZ-CD1 3.86Å; L264-L268 HydrophobicContact CD1-CB 4.44Å; L264-L268 HydrophobicContact CD1-CD1 3.9Å; L264-L268 WeakPolarHBondContact O-CB 3.5Å; L264-L268 PolarHBondContact O-N 3.24Å; L264-L269 WeakPolarHBondContact O-CG 3.47Å; L264-L269 PolarHBondContact O-N 2.94Å
265	F	89.9	Confident	89.8	Confident	51 Å²	51	29.7 Å²	29.7	22%	0.224	19%	0.194	C	C	.	.	I	π-helix	trans	-78	-43.6	-177.5	-60.3	-75.3	0	0	0	111.9	I200 V222 V226 L269 K270	I200-F265 WeakPolarHBondContact CD1-O 3.46Å; V222-F265 HydrophobicContact CG1-CB 4.23Å; V222-F265 HydrophobicContact CG1-CD1 3.39Å; V222-F265 HydrophobicContact CG1-CD2 4.41Å; V222-F265 HydrophobicContact CG1-CE1 3.79Å; V222-F265 HydrophobicContact CG1-CG 3.75Å; V222-F265 HydrophobicContact CG1-CZ 4.44Å; V226-F265 HydrophobicContact CG2-CE1 4.21Å; F265-L269 HydrophobicContact CD1-CD1 3.67Å; F265-L269 HydrophobicContact CE1-CD1 4.11Å; F265-K270 PolarHBondContact O-N 2.95Å; F265-K270 VanDerWaalsContact O-N 3.12Å
266	L	88.8	Confident	89.7	Confident	13 Å²	13	25.9 Å²	25.9	7%	0.068	17%	0.166	C	C	.	.	I	π-helix	trans	-88.9	-24.8	-168.5	-56.8	179.9	0	0	0	113.4	Y202 S263 K270 R286	Y202-L266 HydrophobicContact CD1-CD1 4.27Å; Y202-L266 HydrophobicContact CD2-CD2 4.5Å; Y202-L266 HydrophobicContact CG-CD2 4.03Å; S263-L266 WeakPolarHBondContact OG-CB 3.44Å; S263-L266 PolarHBondContact OG-N 2.93Å; S263-L266 VanDerWaalsContact OG-N 3.12Å; L266-K270 WeakPolarHBondContact O-CB 3.31Å; L266-R286 HydrophobicContact CD1-CB 4.42Å; L266-R286 PolarHBondContact O-NH1 2.67Å
267	D	91.1	Very high	89.7	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.011	16%	0.155	C	C	.	.	I	π-helix	trans	-110.2	-54.1	177.5	-62.8	-74.8	0	0	0	111.7	I262 S263 C271 F281 R286 R304 L307	I262-D267 HydrophobicContact CG2-CB 3.64Å; S263-D267 WeakPolarHBondContact CB-OD2 3.15Å; S263-D267 PolarHBondContact N-OD2 3.12Å; S263-D267 WeakPolarHBondContact O-CA 3.45Å; S263-D267 WeakPolarHBondContact O-CB 3.3Å; S263-D267 PolarHBondContact O-N 3.39Å; D267-C271 WeakPolarHBondContact O-CB 3.43Å; D267-C271 PolarHBondContact O-N 3.42Å; D267-F281 WeakPolarHBondContact O-CE2 3.18Å; D267-F281 WeakPolarHBondContact O-CZ 3.42Å; D267-R286 IonicContact OD1-CZ 3.36Å; D267-R286 IonicContact OD1-NH1 3.64Å; D267-R286 PolarHBondContact OD1-NH1 2.86Å; D267-R304 IonicContact OD1-CZ 3.87Å; D267-R304 IonicContact OD1-NE 2.61Å; D267-R304 PolarHBondContact OD1-NE 3.04Å; D267-R304 IonicContact OD1-NH2 2.7Å; D267-L307 HydrophobicContact CB-CD1 4.13Å
268	L	92.8	Very high	89.9	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.169	C	C	.	.	I	π-helix	trans	-70.3	-52.8	-176.2	-66.6	176.3	0	0	0	112.7	M236 I262 S263 L264 C271 L307 L311	M236-L268 HydrophobicContact CE-CD1 4.24Å; I262-L268 HydrophobicContact CG2-CD2 4.41Å; I262-L268 HydrophobicContact CG2-CG 4.18Å; S263-L268 PolarHBondContact O-N 2.51Å; L264-L268 HydrophobicContact CD1-CB 4.44Å; L264-L268 HydrophobicContact CD1-CD1 3.9Å; L264-L268 WeakPolarHBondContact O-CB 3.5Å; L264-L268 PolarHBondContact O-N 3.24Å; L268-C271 WeakPolarHBondContact O-CB 3.12Å; L268-L307 HydrophobicContact CD2-CD1 4.35Å; L268-L307 HydrophobicContact CD2-CD2 3.67Å; L268-L311 HydrophobicContact CD2-CD1 3.72Å
269	L	93.9	Very high	90	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-75.3	-43.1	-178.7	-67.7	178.5	0	0	0	112.3	V171 V173 I200 V226 F228 L264 F265 C271 L272 L316	V171-L269 HydrophobicContact CG1-CD2 3.68Å; V173-L269 HydrophobicContact CG1-CD1 3.74Å; V173-L269 HydrophobicContact CG1-CD2 4.17Å; I200-L269 HydrophobicContact CD1-CB 3.81Å; V226-L269 HydrophobicContact CG1-CD1 4.17Å; V226-L269 HydrophobicContact CG1-CD2 3.89Å; V226-L269 HydrophobicContact CG2-CD1 4.02Å; F228-L269 HydrophobicContact CE1-CD2 4.09Å; F228-L269 HydrophobicContact CZ-CD2 4Å; L264-L269 WeakPolarHBondContact O-CG 3.47Å; L264-L269 PolarHBondContact O-N 2.94Å; F265-L269 HydrophobicContact CD1-CD1 3.67Å; F265-L269 HydrophobicContact CE1-CD1 4.11Å; L269-C271 PolarHBondContact O-N 2.64Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 2.8Å; L269-L316 HydrophobicContact CD2-CD1 4.05Å
270	K	91.4	Very high	90.2	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.052	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-59.9	-29.7	178.4	-162.4	166.8	-173.2	-177.8	0	112.6	D199 I200 F265 L266 L272 C273 L276 F281 E284	D199-K270 VanDerWaalsContact OD1-CE 3.27Å; D199-K270 WeakPolarHBondContact OD1-CE 3.38Å; D199-K270 IonicContact OD1-NZ 2.91Å; I200-K270 HydrophobicContact CD1-CB 4.42Å; F265-K270 PolarHBondContact O-N 2.95Å; F265-K270 VanDerWaalsContact O-N 3.12Å; L266-K270 WeakPolarHBondContact O-CB 3.31Å; K270-L272 PolarHBondContact O-N 2.77Å; K270-C273 WeakPolarHBondContact O-CB 3.45Å; K270-C273 PolarHBondContact O-N 3.33Å; K270-L276 HydrophobicContact CD-CD1 4.13Å; K270-L276 HydrophobicContact CG-CD1 3.37Å; K270-L276 VanDerWaalsContact O-CD1 3.26Å; K270-L276 WeakPolarHBondContact O-CD1 3.45Å; K270-F281 HydrophobicContact CB-CE2 4.41Å; K270-E284 WeakPolarHBondContact CE-OE2 3.39Å; K270-E284 VanDerWaalsContact NZ-CD 3.27Å; K270-E284 IonicContact NZ-OE1 2.79Å; K270-E284 PolarHBondContact NZ-OE1 2.86Å; K270-E284 IonicContact NZ-OE2 2.72Å; K270-E284 PolarHBondContact NZ-OE2 3.47Å
271	C	92.3	Very high	90.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-57.2	-31.8	172.3	178.1	0	0	0	0	113.3	D267 L268 L269 F281 W308 R312	D267-C271 WeakPolarHBondContact O-CB 3.43Å; D267-C271 PolarHBondContact O-N 3.42Å; L268-C271 WeakPolarHBondContact O-CB 3.12Å; L269-C271 PolarHBondContact O-N 2.64Å; C271-F281 HydrophobicContact CB-CE1 4.3Å; C271-F281 HydrophobicContact CB-CE2 3.88Å; C271-F281 HydrophobicContact CB-CZ 3.72Å; C271-W308 VanDerWaalsContact SG-CA 3.57Å; C271-R312 PolarHBondContact O-NH1 3.14Å
272	L	94.3	Very high	90.5	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.068	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-86.1	-12.5	-176	-54.9	177.9	0	0	0	113.5	V171 L269 K270 L311 A314 L316	V171-L272 HydrophobicContact CB-CD1 3.96Å; V171-L272 HydrophobicContact CG1-CD1 4.35Å; V171-L272 HydrophobicContact CG2-CD1 3.52Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 2.8Å; K270-L272 PolarHBondContact O-N 2.77Å; L272-L311 HydrophobicContact CD2-CB 3.9Å; L272-L311 WeakPolarHBondContact CD2-O 3.3Å; L272-A314 HydrophobicContact CD2-CB 3.97Å; L272-L316 HydrophobicContact CB-CB 3.83Å; L272-L316 HydrophobicContact CB-CD2 4.06Å; L272-L316 HydrophobicContact CD1-CB 4.44Å
273	C	93.7	Very high	90.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.			trans	-67.5	135.6	-176.2	-69.8	0	0	0	0	112.8	V197 R198 K270 D275 L276 R312	V197-C273 WeakPolarHBondContact O-CA 3.39Å; R198-C273 WeakPolarHBondContact O-CB 3.36Å; K270-C273 WeakPolarHBondContact O-CB 3.45Å; K270-C273 PolarHBondContact O-N 3.33Å; C273-D275 PolarHBondContact O-N 3.08Å; C273-L276 HydrophobicContact CB-CD1 4.06Å; C273-R312 PolarHBondContact O-NH1 2.88Å
274	S	89.2	Confident	89.9	Confident	64 Å²	64	36.9 Å²	36.9	45%	0.448	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-32.4	-169.9	60.8	0	0	0	0	114.9	V197 R198 L276 R312	V197-S274 PolarHBondContact O-N 2.84Å; R198-S274 WeakPolarHBondContact CA-OG 3.12Å; R198-S274 PolarHBondContact O-N 3.31Å; S274-L276 PolarHBondContact O-N 3.16Å; S274-R312 PolarHBondContact O-NH2 3.2Å
275	D	89.3	Confident	88.8	Confident	67 Å²	67	39.3 Å²	39.3	36%	0.358	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11.8	-168	-70.8	13.5	0	0	0	114.1	R198 C273	R198-D275 IonicContact CZ-OD1 3.92Å; R198-D275 IonicContact CZ-OD2 2.68Å; R198-D275 VanDerWaalsContact NE-CG 3.29Å; R198-D275 IonicContact NE-OD1 3.39Å; R198-D275 PolarHBondContact NE-OD1 3.43Å; R198-D275 IonicContact NE-OD2 3.84Å; R198-D275 PolarHBondContact NE-OD2 2.94Å; R198-D275 IonicContact NH2-OD1 2.64Å; R198-D275 IonicContact NH2-OD2 3.34Å; R198-D275 PolarHBondContact NH2-OD2 3.48Å; R198-D275 VanDerWaalsContact O-CB 3.32Å; R198-D275 WeakPolarHBondContact O-CB 3.49Å; R198-D275 PolarHBondContact O-N 3.2Å; C273-D275 PolarHBondContact O-N 3.08Å
276	L	88.6	Confident	88.1	Confident	15 Å²	15	38 Å²	38	8%	0.079	21%	0.214	C	C	.	.			trans	-83	138.7	-178	-69.5	163.2	0	0	0	111.2	K270 C273 S274 Q280 W308 R312	K270-L276 HydrophobicContact CD-CD1 4.13Å; K270-L276 HydrophobicContact CG-CD1 3.37Å; K270-L276 VanDerWaalsContact O-CD1 3.26Å; K270-L276 WeakPolarHBondContact O-CD1 3.45Å; C273-L276 HydrophobicContact CB-CD1 4.06Å; S274-L276 PolarHBondContact O-N 3.16Å; L276-Q280 HydrophobicContact CD2-CB 4.34Å; L276-W308 HydrophobicContact CB-CH2 4.35Å; L276-W308 HydrophobicContact CB-CZ3 4.43Å; L276-W308 WeakPolarHBondContact O-CH2 3.22Å; L276-R312 PolarHBondContact O-NH2 3.21Å
277	T	90.2	Very high	86.6	Confident	73 Å²	73	40.5 Å²	40.5	45%	0.448	24%	0.236	S	C	.	.			trans	-87.6	158.2	162.6	63.1	0	0	0	0	110.3	D279 Q280 F281	T277-D279 VanDerWaalsContact C-N 3.26Å; T277-D279 PolarHBondContact O-N 3.04Å; T277-Q280 PolarHBondContact O-N 3.17Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.4Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.41Å; T277-Q280 PolarHBondContact OG1-N 3.19Å; T277-Q280 PolarHBondContact OG1-OE1 3.35Å; T277-F281 PolarHBondContact O-N 3.25Å
278	Q	91.4	Very high	85	Confident	90 Å²	90	44 Å²	44	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-57.6	-41.6	177.2	-174.3	176.7	2.8	0	0	111.7	F281 V282 W308	Q278-F281 PolarHBondContact O-N 3.32Å; Q278-V282 HydrophobicContact CG-CG2 4.29Å; Q278-V282 WeakPolarHBondContact O-CB 3.36Å; Q278-V282 WeakPolarHBondContact O-CG2 3.44Å; Q278-V282 PolarHBondContact O-N 2.87Å; Q278-W308 HydrophobicContact CB-CD2 4.17Å; Q278-W308 HydrophobicContact CB-CG 4.38Å; Q278-W308 HydrophobicContact CB-CZ2 4.05Å; Q278-W308 HydrophobicContact CG-CD2 4.12Å; Q278-W308 HydrophobicContact CG-CG 3.87Å
279	D	89.4	Confident	83.6	Confident	112 Å²	112	45.2 Å²	45.2	60%	0.599	28%	0.281	S	S	*	.	H	α-helix	trans	-63.6	-45.2	-179.7	-171.2	72.7	0	0	0	111.9	T277 V282 N283	T277-D279 VanDerWaalsContact C-N 3.26Å; T277-D279 PolarHBondContact O-N 3.04Å; D279-V282 PolarHBondContact O-N 3.27Å; D279-N283 WeakPolarHBondContact O-CB 3.39Å; D279-N283 PolarHBondContact O-N 3.02Å; D279-N283 PolarHBondContact O-ND2 3.31Å; D279-N283 VanDerWaalsContact O-ND2 3.11Å; D279-N283 PolarHBondContact OD1-ND2 3.19Å
280	Q	88.6	Confident	82	Confident	98 Å²	98	46.4 Å²	46.4	46%	0.458	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-47.5	173.9	-73.3	165.6	-31.6	0	0	111.5	L276 T277 V282 E284	L276-Q280 HydrophobicContact CD2-CB 4.34Å; T277-Q280 PolarHBondContact O-N 3.17Å; T277-Q280 WeakPolarHBondContact OG1-CB 3.4Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.41Å; T277-Q280 PolarHBondContact OG1-N 3.19Å; T277-Q280 PolarHBondContact OG1-OE1 3.35Å; Q280-V282 VanDerWaalsContact C-N 3.33Å; Q280-V282 PolarHBondContact O-N 3.49Å; Q280-E284 WeakPolarHBondContact O-CB 3.18Å; Q280-E284 PolarHBondContact O-N 3.38Å
281	F	89.9	Confident	80.6	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-41	-179.7	175.3	-103.5	0	0	0	112.5	D267 K270 C271 T277 Q278 R286 R304 W308	D267-F281 WeakPolarHBondContact O-CE2 3.18Å; D267-F281 WeakPolarHBondContact O-CZ 3.42Å; K270-F281 HydrophobicContact CB-CE2 4.41Å; C271-F281 HydrophobicContact CB-CE1 4.3Å; C271-F281 HydrophobicContact CB-CE2 3.88Å; C271-F281 HydrophobicContact CB-CZ 3.72Å; T277-F281 PolarHBondContact O-N 3.25Å; Q278-F281 PolarHBondContact O-N 3.32Å; F281-R286 PolarHBondContact O-NH2 3.45Å; F281-R304 HydrophobicContact CD1-CB 4.11Å; F281-R304 HydrophobicContact CE1-CB 3.63Å; F281-R304 HydrophobicContact CE1-CG 3.95Å; F281-R304 WeakPolarHBondContact CE1-O 3.46Å; F281-R304 HydrophobicContact CZ-CB 4.37Å; F281-R304 HydrophobicContact CZ-CG 4.2Å; F281-R304 WeakPolarHBondContact O-CD 3.32Å; F281-W308 HydrophobicContact CB-CE3 3.83Å; F281-W308 HydrophobicContact CB-CZ3 3.64Å; F281-W308 HydrophobicContact CD1-CB 4.44Å; F281-W308 HydrophobicContact CD1-CD2 4.45Å; F281-W308 AromaticContact CD1-CE3 3.57Å; F281-W308 HydrophobicContact CD1-CE3 3.57Å; F281-W308 HydrophobicContact CD1-CZ3 4.22Å; F281-W308 HydrophobicContact CD2-CE3 4.47Å; F281-W308 HydrophobicContact CD2-CZ3 4.44Å; F281-W308 HydrophobicContact CE1-CE3 4.26Å; F281-W308 AromaticContact CG-CE3 3.69Å; F281-W308 HydrophobicContact CG-CE3 3.69Å; F281-W308 AromaticContact CG-CZ3 3.85Å; F281-W308 HydrophobicContact CG-CZ3 3.85Å
282	V	89.3	Confident	79.1	Confident	12 Å²	12	50.7 Å²	50.7	7%	0.073	32%	0.318	C	S	.	.	H	α-helix	trans	-72.6	-45.1	-177.2	171.7	0	0	0	0	111.3	Q278 D279 Q280 R301 R304 V305	Q278-V282 HydrophobicContact CG-CG2 4.29Å; Q278-V282 WeakPolarHBondContact O-CB 3.36Å; Q278-V282 WeakPolarHBondContact O-CG2 3.44Å; Q278-V282 PolarHBondContact O-N 2.87Å; D279-V282 PolarHBondContact O-N 3.27Å; Q280-V282 VanDerWaalsContact C-N 3.33Å; Q280-V282 PolarHBondContact O-N 3.49Å; V282-R301 HydrophobicContact CG1-CB 3.76Å; V282-R301 HydrophobicContact CG1-CG 3.77Å; V282-R304 HydrophobicContact CG2-CB 4.19Å; V282-R304 PolarHBondContact O-NH1 2.84Å; V282-R304 VanDerWaalsContact O-NH1 3.17Å; V282-V305 HydrophobicContact CG1-CG2 4.07Å; V282-V305 HydrophobicContact CG2-CG2 3.63Å
283	N	83.6	Confident	77.3	Confident	74 Å²	74	56.2 Å²	56.2	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-93.8	-14.6	-168.1	-63.3	-47.3	0	0	0	115.1	D279 G285 R301	D279-N283 WeakPolarHBondContact O-CB 3.39Å; D279-N283 PolarHBondContact O-N 3.02Å; D279-N283 PolarHBondContact O-ND2 3.31Å; D279-N283 VanDerWaalsContact O-ND2 3.11Å; D279-N283 PolarHBondContact OD1-ND2 3.19Å; N283-G285 PolarHBondContact O-N 2.94Å; N283-R301 WeakPolarHBondContact OD1-CD 3.46Å
284	E	80.1	Confident	75.9	Confident	72 Å²	72	58.6 Å²	58.6	34%	0.336	37%	0.373	S	S	.	.			trans	-63.5	126.8	-178.8	-176.1	-170.7	-148.9	0	0	112.1	K270 Q280 R286 R304	K270-E284 WeakPolarHBondContact CE-OE2 3.39Å; K270-E284 VanDerWaalsContact NZ-CD 3.27Å; K270-E284 IonicContact NZ-OE1 2.79Å; K270-E284 PolarHBondContact NZ-OE1 2.86Å; K270-E284 IonicContact NZ-OE2 2.72Å; K270-E284 PolarHBondContact NZ-OE2 3.47Å; Q280-E284 WeakPolarHBondContact O-CB 3.18Å; Q280-E284 PolarHBondContact O-N 3.38Å; E284-R286 IonicContact OE2-NE 3.77Å; E284-R286 PolarHBondContact OE2-NE 3.21Å; E284-R286 IonicContact OE2-NH2 3.06Å; E284-R304 PolarHBondContact O-NH1 2.9Å
285	G	68.1	Low	74.5	Confident	57 Å²	57	61.3 Å²	61.3	59%	0.588	39%	0.389	S	S	*	.			trans	-73.1	131.4	170.2	0	0	0	0	0	110.6	N283	N283-G285 PolarHBondContact O-N 2.94Å
286	R	73.6	Confident	73.4	Confident	24 Å²	24	65 Å²	65	9%	0.091	40%	0.403	C	S	.	.			trans	-122.2	121.5	-175.1	-56.1	-169	-173.4	134.8	-0.1	110.8	L266 D267 F281 E284 G288 C289 R304	L266-R286 HydrophobicContact CD1-CB 4.42Å; L266-R286 PolarHBondContact O-NH1 2.67Å; D267-R286 IonicContact OD1-CZ 3.36Å; D267-R286 IonicContact OD1-NH1 3.64Å; D267-R286 PolarHBondContact OD1-NH1 2.86Å; F281-R286 PolarHBondContact O-NH2 3.45Å; E284-R286 IonicContact OE2-NE 3.77Å; E284-R286 PolarHBondContact OE2-NE 3.21Å; E284-R286 IonicContact OE2-NH2 3.06Å; R286-G288 PolarHBondContact O-N 2.8Å; R286-C289 HydrophobicContact CB-CB 4.1Å; R286-C289 PolarHBondContact O-N 3.47Å; R286-C289 VanDerWaalsContact O-N 3.11Å; R286-R304 VanDerWaalsContact NH1-CZ 3.28Å
287	A	58.4	Low	72.8	Confident	65 Å²	65	64.2 Å²	64.2	54%	0.537	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	122.9	178.3	0	0	0	0	0	110.6
288	G	56.8	Low	72.3	Confident	75 Å²	75	63 Å²	63	77%	0.773	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	3.6	-178.1	0	0	0	0	0	115.6	R286	R286-G288 PolarHBondContact O-N 2.8Å
289	C	63.3	Low	72	Confident	26 Å²	26	60.9 Å²	60.9	18%	0.176	39%	0.39	C	S	.	.	S	Bend	trans	-107.6	166.8	167.8	-62.2	0	0	0	0	110.6	R286	R286-C289 HydrophobicContact CB-CB 4.1Å; R286-C289 PolarHBondContact O-N 3.47Å; R286-C289 VanDerWaalsContact O-N 3.11Å
290	S	60.9	Low	71.7	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.182	36%	0.364	C	S	.	.			trans	-57.5	138.4	174.3	-45.6	0	0	0	0	110.7	Q261	Q261-S290 PolarHBondContact OE1-OG 3.42Å
291	P	61.8	Low	71.7	Confident	86 Å²	86	55 Å²	55	56%	0.558	36%	0.356	S	S	*	.			trans	-61.4	143.6	179.5	23.4	-31.2	0	0	0	111	D293 G297	P291-D293 PolarHBondContact O-N 2.96Å; P291-G297 WeakPolarHBondContact O-CA 3.46Å
292	T	61.1	Low	71.7	Confident	16 Å²	16	57.2 Å²	57.2	10%	0.098	37%	0.374	C	S	.	.	S	Bend	trans	-77.1	-4.5	176	46.8	0	0	0	0	112.4	G297 R301	T292-G297 WeakPolarHBondContact O-CA 3.38Å; T292-R301 PolarHBondContact O-NH1 2.91Å
293	D	56.9	Low	71.8	Confident	129 Å²	129	56.6 Å²	56.6	69%	0.69	37%	0.371	S	S	*	.	S	Bend	trans	-96.6	149	-179	-58.9	-37	0	0	0	111.9	P291	P291-D293 PolarHBondContact O-N 2.96Å
294	G	62.7	Low	72.2	Confident	50 Å²	50	53.1 Å²	53.1	52%	0.515	35%	0.352	S	S	.	.	H	α-helix	trans	81.4	-172.9	-178.5	0	0	0	0	0	115.2	Q296 G297 A298	G294-Q296 PolarHBondContact O-N 2.97Å; G294-G297 PolarHBondContact O-N 3.33Å; G294-G297 VanDerWaalsContact O-N 3.14Å; G294-A298 PolarHBondContact O-N 3.22Å
295	P	60.6	Low	72.9	Confident	121 Å²	121	52.6 Å²	52.6	79%	0.786	35%	0.353	S	S	*	.	H	α-helix	trans	-61.7	-37.9	-173.9	-22.5	32.5	0	0	0	113.9	G297 A298	P295-G297 VanDerWaalsContact C-N 3.34Å; P295-A298 PolarHBondContact O-N 3.01Å
296	Q	66.3	Low	74.2	Confident	143 Å²	143	51.5 Å²	51.5	67%	0.668	33%	0.333	S	S	*	.	H	α-helix	trans	-69.2	-33	175.8	-72	179.9	-10.6	0	0	112.1	G294 A298 T299 V300	G294-Q296 PolarHBondContact O-N 2.97Å; Q296-A298 VanDerWaalsContact C-N 3.29Å; Q296-A298 PolarHBondContact O-N 3.03Å; Q296-T299 PolarHBondContact O-N 2.93Å; Q296-V300 WeakPolarHBondContact O-CG2 3.31Å; Q296-V300 PolarHBondContact O-N 2.69Å; Q296-V300 VanDerWaalsContact O-N 3.09Å
297	G	75.8	Confident	75.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-30.1	177.3	0	0	0	0	0	114.1	P291 T292 G294 P295 R301	P291-G297 WeakPolarHBondContact O-CA 3.46Å; T292-G297 WeakPolarHBondContact O-CA 3.38Å; G294-G297 PolarHBondContact O-N 3.33Å; G294-G297 VanDerWaalsContact O-N 3.14Å; P295-G297 VanDerWaalsContact C-N 3.34Å; G297-R301 WeakPolarHBondContact O-CG 3.46Å; G297-R301 PolarHBondContact O-N 3.26Å
298	A	80.4	Confident	76.9	Confident	46 Å²	46	48.6 Å²	48.6	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-42.7	173.1	0	0	0	0	0	112.1	G294 P295 Q296 R301 A302	G294-A298 PolarHBondContact O-N 3.22Å; P295-A298 PolarHBondContact O-N 3.01Å; Q296-A298 VanDerWaalsContact C-N 3.29Å; Q296-A298 PolarHBondContact O-N 3.03Å; A298-R301 PolarHBondContact O-N 2.94Å; A298-A302 PolarHBondContact O-N 2.87Å
299	T	83.8	Confident	78.7	Confident	47 Å²	47	52.5 Å²	52.5	29%	0.288	30%	0.3	S	S	.	.	H	α-helix	trans	-65.9	-40.2	177.1	-50.1	0	0	0	0	111.6	P244 L260 Q296 A302 G303	P244-T299 HydrophobicContact CB-CG2 3.87Å; P244-T299 HydrophobicContact CG-CG2 4.22Å; L260-T299 HydrophobicContact CD1-CG2 4.34Å; Q296-T299 PolarHBondContact O-N 2.93Å; T299-A302 PolarHBondContact O-N 3.4Å; T299-G303 PolarHBondContact O-N 2.99Å
300	V	83.8	Confident	80.1	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-45.1	174.7	173.9	0	0	0	0	111.5	L260 Q296 G303 R304	L260-V300 HydrophobicContact CD1-CG2 4.03Å; Q296-V300 WeakPolarHBondContact O-CG2 3.31Å; Q296-V300 PolarHBondContact O-N 2.69Å; Q296-V300 VanDerWaalsContact O-N 3.09Å; V300-G303 PolarHBondContact O-N 3.11Å; V300-R304 WeakPolarHBondContact O-CG 3.16Å; V300-R304 PolarHBondContact O-N 3.43Å
301	R	88.3	Confident	81.6	Confident	78 Å²	78	50.6 Å²	50.6	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-44.7	175.2	-76.9	-167.1	-62	-83.1	-5.3	112	V282 N283 T292 G297 A298 G303 R304 V305	V282-R301 HydrophobicContact CG1-CB 3.76Å; V282-R301 HydrophobicContact CG1-CG 3.77Å; N283-R301 WeakPolarHBondContact OD1-CD 3.46Å; T292-R301 PolarHBondContact O-NH1 2.91Å; G297-R301 WeakPolarHBondContact O-CG 3.46Å; G297-R301 PolarHBondContact O-N 3.26Å; A298-R301 PolarHBondContact O-N 2.94Å; R301-G303 VanDerWaalsContact C-N 3.34Å; R301-G303 PolarHBondContact O-N 3.48Å; R301-R304 PolarHBondContact O-N 2.94Å; R301-V305 WeakPolarHBondContact O-CG2 3.25Å; R301-V305 PolarHBondContact O-N 2.74Å
302	A	89.8	Confident	83.1	Confident	47 Å²	47	50.2 Å²	50.2	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176.8	0	0	0	0	0	111.7	P244 A298 T299 R304 V305 E306	P244-A302 HydrophobicContact CG-CB 4.05Å; A298-A302 PolarHBondContact O-N 2.87Å; T299-A302 PolarHBondContact O-N 3.4Å; A302-R304 PolarHBondContact O-N 3.22Å; A302-V305 PolarHBondContact O-N 3.48Å; A302-E306 PolarHBondContact O-N 2.91Å
303	G	91.2	Very high	84.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-43.2	173.3	0	0	0	0	0	112.8	T299 V300 R301 E306 L307	T299-G303 PolarHBondContact O-N 2.99Å; V300-G303 PolarHBondContact O-N 3.11Å; R301-G303 VanDerWaalsContact C-N 3.34Å; R301-G303 PolarHBondContact O-N 3.48Å; G303-E306 PolarHBondContact O-N 3.41Å; G303-L307 WeakPolarHBondContact O-CG 2.94Å; G303-L307 PolarHBondContact O-N 2.92Å
304	R	92.4	Very high	86.1	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-39.8	175.8	-74.4	177.7	178.2	174.6	3.2	112.8	D267 F281 V282 E284 R286 V300 R301 A302 E306 L307 W308	D267-R304 IonicContact OD1-CZ 3.87Å; D267-R304 IonicContact OD1-NE 2.61Å; D267-R304 PolarHBondContact OD1-NE 3.04Å; D267-R304 IonicContact OD1-NH2 2.7Å; F281-R304 HydrophobicContact CD1-CB 4.11Å; F281-R304 HydrophobicContact CE1-CB 3.63Å; F281-R304 HydrophobicContact CE1-CG 3.95Å; F281-R304 WeakPolarHBondContact CE1-O 3.46Å; F281-R304 HydrophobicContact CZ-CB 4.37Å; F281-R304 HydrophobicContact CZ-CG 4.2Å; F281-R304 WeakPolarHBondContact O-CD 3.32Å; V282-R304 HydrophobicContact CG2-CB 4.19Å; V282-R304 PolarHBondContact O-NH1 2.84Å; V282-R304 VanDerWaalsContact O-NH1 3.17Å; E284-R304 PolarHBondContact O-NH1 2.9Å; R286-R304 VanDerWaalsContact NH1-CZ 3.28Å; V300-R304 WeakPolarHBondContact O-CG 3.16Å; V300-R304 PolarHBondContact O-N 3.43Å; R301-R304 PolarHBondContact O-N 2.94Å; A302-R304 PolarHBondContact O-N 3.22Å; R304-E306 VanDerWaalsContact C-N 3.26Å; R304-E306 PolarHBondContact O-N 2.91Å; R304-L307 PolarHBondContact O-N 2.84Å; R304-W308 WeakPolarHBondContact O-CB 3.45Å; R304-W308 PolarHBondContact O-N 3.24Å
305	V	94.7	Very high	87.5	Confident	60 Å²	60	47.3 Å²	47.3	36%	0.364	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-44	173.4	169.1	0	0	0	0	110.3	V282 R301 A302 W308 R309	V282-V305 HydrophobicContact CG1-CG2 4.07Å; V282-V305 HydrophobicContact CG2-CG2 3.63Å; R301-V305 WeakPolarHBondContact O-CG2 3.25Å; R301-V305 PolarHBondContact O-N 2.74Å; A302-V305 PolarHBondContact O-N 3.48Å; V305-W308 WeakPolarHBondContact O-CB 3.43Å; V305-W308 PolarHBondContact O-N 2.94Å; V305-R309 PolarHBondContact O-N 3.15Å
306	E	95.1	Very high	89.2	Confident	35 Å²	35	41.8 Å²	41.8	16%	0.164	23%	0.23	C	C	.	.	H	α-helix	trans	-70.3	-40.4	-179.3	-169.6	60.2	-169.6	0	0	112.5	L245 A302 G303 R304 W308 R309 I310	L245-E306 HydrophobicContact CD1-CB 3.92Å; L245-E306 HydrophobicContact CD1-CG 3.67Å; L245-E306 HydrophobicContact CG-CB 4.31Å; L245-E306 HydrophobicContact CG-CG 4.27Å; A302-E306 PolarHBondContact O-N 2.91Å; G303-E306 PolarHBondContact O-N 3.41Å; R304-E306 VanDerWaalsContact C-N 3.26Å; R304-E306 PolarHBondContact O-N 2.91Å; E306-W308 VanDerWaalsContact C-N 3.3Å; E306-W308 PolarHBondContact O-N 3.01Å; E306-R309 VanDerWaalsContact CD-NE 3.3Å; E306-R309 WeakPolarHBondContact O-CB 3.35Å; E306-R309 PolarHBondContact O-N 3.26Å; E306-R309 IonicContact OE1-CZ 2.74Å; E306-R309 IonicContact OE1-NE 3.47Å; E306-R309 PolarHBondContact OE1-NE 3Å; E306-R309 IonicContact OE1-NH2 3.41Å; E306-R309 PolarHBondContact OE1-NH2 3.04Å; E306-R309 IonicContact OE2-CZ 3.64Å; E306-R309 IonicContact OE2-NE 3.8Å; E306-R309 PolarHBondContact OE2-NE 2.83Å; E306-I310 HydrophobicContact CG-CD1 3.94Å; E306-I310 WeakPolarHBondContact O-CG1 3.31Å; E306-I310 PolarHBondContact O-N 2.68Å
307	L	93.8	Very high	90.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-42	171.4	-76.4	175.7	0	0	0	112	L245 I262 D267 L268 G303 R304 R309 I310 L311	L245-L307 HydrophobicContact CD1-CD2 3.71Å; L245-L307 HydrophobicContact CD1-CG 3.9Å; L245-L307 HydrophobicContact CD2-CD1 4.18Å; L245-L307 HydrophobicContact CD2-CD2 3.99Å; L245-L307 HydrophobicContact CD2-CG 3.71Å; L245-L307 HydrophobicContact CG-CG 4.47Å; I262-L307 HydrophobicContact CD1-CD1 4.02Å; I262-L307 HydrophobicContact CG2-CD1 3.98Å; D267-L307 HydrophobicContact CB-CD1 4.13Å; L268-L307 HydrophobicContact CD2-CD1 4.35Å; L268-L307 HydrophobicContact CD2-CD2 3.67Å; G303-L307 WeakPolarHBondContact O-CG 2.94Å; G303-L307 PolarHBondContact O-N 2.92Å; R304-L307 PolarHBondContact O-N 2.84Å; L307-R309 VanDerWaalsContact C-N 3.35Å; L307-I310 PolarHBondContact O-N 3.26Å; L307-L311 HydrophobicContact CD2-CD1 4.08Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 PolarHBondContact O-N 3.36Å
308	W	94.8	Very high	91.4	Very high	28 Å²	28	36.5 Å²	36.5	11%	0.106	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-46	175.3	-169.3	-88.6	0	0	0	111.1	C271 L276 Q278 F281 R304 V305 E306 I310 R312	C271-W308 VanDerWaalsContact SG-CA 3.57Å; L276-W308 HydrophobicContact CB-CH2 4.35Å; L276-W308 HydrophobicContact CB-CZ3 4.43Å; L276-W308 WeakPolarHBondContact O-CH2 3.22Å; Q278-W308 HydrophobicContact CB-CD2 4.17Å; Q278-W308 HydrophobicContact CB-CG 4.38Å; Q278-W308 HydrophobicContact CB-CZ2 4.05Å; Q278-W308 HydrophobicContact CG-CD2 4.12Å; Q278-W308 HydrophobicContact CG-CG 3.87Å; F281-W308 HydrophobicContact CB-CE3 3.83Å; F281-W308 HydrophobicContact CB-CZ3 3.64Å; F281-W308 HydrophobicContact CD1-CB 4.44Å; F281-W308 HydrophobicContact CD1-CD2 4.45Å; F281-W308 AromaticContact CD1-CE3 3.57Å; F281-W308 HydrophobicContact CD1-CE3 3.57Å; F281-W308 HydrophobicContact CD1-CZ3 4.22Å; F281-W308 HydrophobicContact CD2-CE3 4.47Å; F281-W308 HydrophobicContact CD2-CZ3 4.44Å; F281-W308 HydrophobicContact CE1-CE3 4.26Å; F281-W308 AromaticContact CG-CE3 3.69Å; F281-W308 HydrophobicContact CG-CE3 3.69Å; F281-W308 AromaticContact CG-CZ3 3.85Å; F281-W308 HydrophobicContact CG-CZ3 3.85Å; R304-W308 WeakPolarHBondContact O-CB 3.45Å; R304-W308 PolarHBondContact O-N 3.24Å; V305-W308 WeakPolarHBondContact O-CB 3.43Å; V305-W308 PolarHBondContact O-N 2.94Å; E306-W308 VanDerWaalsContact C-N 3.3Å; E306-W308 PolarHBondContact O-N 3.01Å; W308-I310 VanDerWaalsContact C-N 3.34Å; W308-I310 PolarHBondContact O-N 3.12Å; W308-R312 HydrophobicContact CD2-CB 4.34Å; W308-R312 HydrophobicContact CD2-CG 4.34Å; W308-R312 HydrophobicContact CG-CB 4.35Å; W308-R312 HydrophobicContact CZ2-CG 4.05Å; W308-R312 WeakPolarHBondContact O-CB 3.34Å; W308-R312 PolarHBondContact O-N 2.93Å; W308-R312 VanDerWaalsContact O-N 3.12Å
309	R	94.7	Very high	92	Very high	157 Å²	157	35.3 Å²	35.3	59%	0.592	20%	0.195	S	C	*	.	H	α-helix	trans	-60	-41.8	177.8	-168.6	-167.7	69.5	73.1	-1.3	112.5	V305 E306 L307	V305-R309 PolarHBondContact O-N 3.15Å; E306-R309 VanDerWaalsContact CD-NE 3.3Å; E306-R309 WeakPolarHBondContact O-CB 3.35Å; E306-R309 PolarHBondContact O-N 3.26Å; E306-R309 IonicContact OE1-CZ 2.74Å; E306-R309 IonicContact OE1-NE 3.47Å; E306-R309 PolarHBondContact OE1-NE 3Å; E306-R309 IonicContact OE1-NH2 3.41Å; E306-R309 PolarHBondContact OE1-NH2 3.04Å; E306-R309 IonicContact OE2-CZ 3.64Å; E306-R309 IonicContact OE2-NE 3.8Å; E306-R309 PolarHBondContact OE2-NE 2.83Å; L307-R309 VanDerWaalsContact C-N 3.35Å
310	I	93.5	Very high	92.4	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-79.1	-48.7	-174.1	-68	171.1	0	0	0	111.7	K235 T239 L245 E306 L307 W308	K235-I310 HydrophobicContact CB-CG2 3.82Å; K235-I310 WeakPolarHBondContact CD-O 3.39Å; K235-I310 PolarHBondContact NZ-O 3.13Å; K235-I310 WeakPolarHBondContact O-CG2 3.23Å; T239-I310 HydrophobicContact CG2-CD1 4.09Å; L245-I310 HydrophobicContact CD1-CD1 4.04Å; E306-I310 HydrophobicContact CG-CD1 3.94Å; E306-I310 WeakPolarHBondContact O-CG1 3.31Å; E306-I310 PolarHBondContact O-N 2.68Å; L307-I310 PolarHBondContact O-N 3.26Å; W308-I310 VanDerWaalsContact C-N 3.34Å; W308-I310 PolarHBondContact O-N 3.12Å
311	L	93.3	Very high	92.8	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-97.7	-27.1	-166.3	-63.2	178	0	0	0	114.2	V232 K235 M236 L268 L272 L307 G313 A314	V232-L311 HydrophobicContact CG1-CD2 4.28Å; K235-L311 HydrophobicContact CB-CD2 4.02Å; M236-L311 HydrophobicContact CG-CD2 3.92Å; L268-L311 HydrophobicContact CD2-CD1 3.72Å; L272-L311 HydrophobicContact CD2-CB 3.9Å; L272-L311 WeakPolarHBondContact CD2-O 3.3Å; L307-L311 HydrophobicContact CD2-CD1 4.08Å; L307-L311 WeakPolarHBondContact O-CB 3.47Å; L307-L311 PolarHBondContact O-N 3.36Å; L311-G313 PolarHBondContact O-N 2.94Å; L311-A314 PolarHBondContact O-N 3.12Å
312	R	93	Very high	92.8	Very high	78 Å²	78	34.6 Å²	34.6	29%	0.294	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	140.7	-176.3	-174.4	66	179.4	-171.6	-0.4	111.3	C271 C273 S274 L276 W308	C271-R312 PolarHBondContact O-NH1 3.14Å; C273-R312 PolarHBondContact O-NH1 2.88Å; S274-R312 PolarHBondContact O-NH2 3.2Å; L276-R312 PolarHBondContact O-NH2 3.21Å; W308-R312 HydrophobicContact CD2-CB 4.34Å; W308-R312 HydrophobicContact CD2-CG 4.34Å; W308-R312 HydrophobicContact CG-CB 4.35Å; W308-R312 HydrophobicContact CZ2-CG 4.05Å; W308-R312 WeakPolarHBondContact O-CB 3.34Å; W308-R312 PolarHBondContact O-N 2.93Å; W308-R312 VanDerWaalsContact O-N 3.12Å
313	G	85.9	Confident	92.7	Very high	70 Å²	70	35.2 Å²	35.2	72%	0.722	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.4	-8.3	-178.3	0	0	0	0	0	114.4	L311	L311-G313 PolarHBondContact O-N 2.94Å
314	A	93.4	Very high	92.6	Very high	11 Å²	11	35.4 Å²	35.4	9%	0.091	21%	0.21	C	C	.	.	S	Bend	trans	-74.2	131.5	164.5	0	0	0	0	0	110.1	V232 L272 L311	V232-A314 HydrophobicContact CG2-CB 3.81Å; L272-A314 HydrophobicContact CD2-CB 3.97Å; L311-A314 PolarHBondContact O-N 3.12Å
315	P	93.3	Very high	92.5	Very high	53 Å²	53	43.9 Å²	43.9	34%	0.344	24%	0.242	S	C	.	.			trans	-74.6	137.4	-177.5	29.1	-32.5	0	0	0	111.1	V171 W196	V171-P315 PolarHBondContact N-O 3.28Å; W196-P315 HydrophobicContact CE3-CB 4.14Å; W196-P315 HydrophobicContact CH2-CB 3.91Å; W196-P315 HydrophobicContact CZ3-CB 3.47Å; W196-P315 VanDerWaalsContact CZ3-CB 3.47Å; W196-P315 HydrophobicContact CZ3-CG 4.45Å
316	L	96	Very high	92.1	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.8	178.2	176	62.6	0	0	0	110	V171 V173 V197 L269 L272	V171-L316 HydrophobicContact CB-CD1 3.76Å; V171-L316 HydrophobicContact CG1-CD1 3.58Å; V171-L316 WeakPolarHBondContact O-CA 3.43Å; V173-L316 HydrophobicContact CG1-CD1 3.86Å; V173-L316 HydrophobicContact CG2-CD1 4.43Å; V197-L316 HydrophobicContact CB-CB 4.45Å; V197-L316 HydrophobicContact CB-CD2 3.7Å; V197-L316 HydrophobicContact CB-CG 3.76Å; V197-L316 HydrophobicContact CG1-CD2 3.96Å; V197-L316 HydrophobicContact CG2-CD2 4.1Å; V197-L316 HydrophobicContact CG2-CG 3.79Å; V197-L316 PolarHBondContact N-O 2.69Å; L269-L316 HydrophobicContact CD2-CD1 4.05Å; L272-L316 HydrophobicContact CB-CB 3.83Å; L272-L316 HydrophobicContact CB-CD2 4.06Å; L272-L316 HydrophobicContact CD1-CB 4.44Å
317	S	95.1	Very high	91.8	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.084	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.2	-179	63.2	0	0	0	0	112.4	F168 V171 R172 V173 G195	F168-S317 WeakPolarHBondContact CE2-OG 3.42Å; V171-S317 PolarHBondContact O-N 3.35Å; V171-S317 PolarHBondContact O-OG 3.3Å; R172-S317 WeakPolarHBondContact CA-O 3.28Å; R172-S317 PolarHBondContact NE-OG 3.05Å; V173-S317 WeakPolarHBondContact CG2-O 3.34Å; V173-S317 PolarHBondContact N-O 2.96Å; G195-S317 CarbonylContact O-C 3.55Å; G195-S317 WeakPolarHBondContact O-CA 3.49Å
318	L	94.1	Very high	91.6	Very high	19 Å²	19	46 Å²	46	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.9	175.6	176.5	64.9	0	0	0	110.6	V173 A175 Y189 G195 V197 P220	V173-L318 HydrophobicContact CG2-CB 4.34Å; V173-L318 HydrophobicContact CG2-CD1 3.81Å; A175-L318 HydrophobicContact CB-CD1 3.56Å; Y189-L318 HydrophobicContact CD2-CD1 3.78Å; Y189-L318 HydrophobicContact CE2-CD1 4.4Å; Y189-L318 HydrophobicContact CG-CD1 4.07Å; G195-L318 PolarHBondContact O-N 3.49Å; V197-L318 HydrophobicContact CG2-CB 3.89Å; P220-L318 HydrophobicContact CB-CD2 4.01Å; P220-L318 HydrophobicContact CG-CD2 4.21Å
319	V	92.9	Very high	91.4	Very high	21 Å²	21	44.7 Å²	44.7	13%	0.127	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.1	163.8	174.8	0	0	0	0	108.7	F161 L163 R172 V173 L174 A175 I321	F161-V319 HydrophobicContact CZ-CG1 3.84Å; L163-V319 HydrophobicContact CD1-CB 4.47Å; L163-V319 HydrophobicContact CD1-CG1 3.96Å; L163-V319 HydrophobicContact CD1-CG2 3.8Å; R172-V319 HydrophobicContact CG-CG2 3.8Å; V173-V319 PolarHBondContact O-N 3.46Å; L174-V319 WeakPolarHBondContact CA-O 3.48Å; L174-V319 HydrophobicContact CG-CB 4.46Å; A175-V319 PolarHBondContact N-O 2.98Å; V319-I321 HydrophobicContact CG1-CG1 4.41Å
320	Y	91.9	Very high	91.2	Very high	36 Å²	36	38.7 Å²	38.7	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.6	172.3	-172.6	-116.2	0	0	0	109.7	A175 P177 M214 D216 K218 P220 P322	A175-Y320 HydrophobicContact CB-CD2 4.46Å; A175-Y320 WeakPolarHBondContact O-CA 3.27Å; P177-Y320 WeakPolarHBondContact CA-OH 3.46Å; P177-Y320 HydrophobicContact CB-CE2 4.38Å; P177-Y320 WeakPolarHBondContact CB-OH 3.49Å; P177-Y320 HydrophobicContact CG-CE1 4.38Å; P177-Y320 HydrophobicContact CG-CE2 4.13Å; P177-Y320 VanDerWaalsContact CG-OH 3.3Å; P177-Y320 WeakPolarHBondContact CG-OH 3.34Å; M214-Y320 HydrophobicContact CB-CE1 4.31Å; M214-Y320 HydrophobicContact CE-CD1 4.01Å; M214-Y320 HydrophobicContact CE-CE1 4.5Å; M214-Y320 HydrophobicContact CE-CG 4.05Å; M214-Y320 HydrophobicContact CG-CE1 4.33Å; M214-Y320 HydrophobicContact CG-CE2 4.23Å; D216-Y320 VanDerWaalsContact CG-OH 3.3Å; D216-Y320 PolarHBondContact OD1-OH 3.45Å; D216-Y320 VanDerWaalsContact OD2-CE1 3.29Å; D216-Y320 WeakPolarHBondContact OD2-CE1 3.3Å; D216-Y320 PolarHBondContact OD2-OH 3.17Å; K218-Y320 WeakPolarHBondContact CB-OH 3.48Å; P220-Y320 HydrophobicContact CB-CD2 3.84Å; P220-Y320 HydrophobicContact CB-CE2 4.11Å; Y320-P322 HydrophobicContact CD1-CG 4.17Å; Y320-P322 HydrophobicContact CE1-CG 4.42Å; Y320-P322 VanDerWaalsContact O-CD 3.28Å; Y320-P322 WeakPolarHBondContact O-CD 2.85Å
321	I	91.7	Very high	91	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.233	C	C	.	.			trans	-109.2	91.1	-178.5	-53.4	-178.1	0	0	0	109.4	V157 F161 L174 A175 P177 V319 G323 G324	V157-I321 HydrophobicContact CG1-CG2 4.13Å; V157-I321 HydrophobicContact CG2-CD1 4.46Å; F161-I321 HydrophobicContact CD1-CG2 4.43Å; F161-I321 HydrophobicContact CD2-CG2 3.92Å; F161-I321 HydrophobicContact CE1-CD1 4.02Å; F161-I321 HydrophobicContact CE1-CG1 4.13Å; F161-I321 HydrophobicContact CE2-CB 4.33Å; F161-I321 HydrophobicContact CE2-CG1 3.98Å; F161-I321 HydrophobicContact CE2-CG2 4.1Å; F161-I321 HydrophobicContact CG-CG2 4.1Å; F161-I321 HydrophobicContact CZ-CD1 4.11Å; F161-I321 HydrophobicContact CZ-CG1 3.71Å; F161-I321 HydrophobicContact CZ-CG2 4.44Å; L174-I321 HydrophobicContact CD2-CD1 3.98Å; L174-I321 HydrophobicContact CG-CD1 4.34Å; A175-I321 PolarHBondContact O-N 2.81Å; P177-I321 WeakPolarHBondContact CD-O 3.43Å; V319-I321 HydrophobicContact CG1-CG1 4.41Å; I321-G323 PolarHBondContact O-N 3.13Å; I321-G324 PolarHBondContact O-N 2.96Å
322	P	88.3	Confident	91	Very high	81 Å²	81	42.3 Å²	42.3	53%	0.526	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136	179.1	-22.3	33.3	0	0	0	111.1	P158 Y320 G324	P158-P322 VanDerWaalsContact CG-O 3.28Å; P158-P322 WeakPolarHBondContact CG-O 3.38Å; Y320-P322 HydrophobicContact CD1-CG 4.17Å; Y320-P322 HydrophobicContact CE1-CG 4.42Å; Y320-P322 VanDerWaalsContact O-CD 3.28Å; Y320-P322 WeakPolarHBondContact O-CD 2.85Å; P322-G324 PolarHBondContact O-N 3.09Å
323	G	87.8	Confident	91.1	Very high	59 Å²	59	38.7 Å²	38.7	61%	0.608	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	-2.5	-178.8	0	0	0	0	0	115.7	I321	I321-G323 PolarHBondContact O-N 3.13Å
324	G	89.9	Confident	91.5	Very high	5 Å²	5	39.3 Å²	39.3	5%	0.052	22%	0.215	C	C	.	.			trans	-64.2	154.4	168.7	0	0	0	0	0	112	S156 I321 P322	S156-G324 CarbonylContact O-C 3.55Å; S156-G324 VanDerWaalsContact O-CA 3.25Å; S156-G324 WeakPolarHBondContact O-CA 3.15Å; I321-G324 PolarHBondContact O-N 2.96Å; P322-G324 PolarHBondContact O-N 3.09Å
325	R	88.8	Confident	91.5	Very high	179 Å²	179	43 Å²	43	68%	0.675	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.3	175.4	-57.9	-179	177.6	-176.7	-1.6	110.7	S156	S156-R325 PolarHBondContact N-O 2.88Å; S156-R325 PolarHBondContact O-N 3.49Å
326	Y	87.9	Confident	91.6	Very high	29 Å²	29	40.4 Å²	40.4	11%	0.114	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.3	174	174.6	-93	0	0	0	108.7	M153 V176 Y182 H186 S223 Y328	M153-Y326 HydrophobicContact CB-CD2 3.71Å; M153-Y326 HydrophobicContact CB-CE2 3.24Å; M153-Y326 HydrophobicContact CB-CG 4.5Å; M153-Y326 HydrophobicContact CG-CD2 3.69Å; M153-Y326 HydrophobicContact CG-CE2 3.27Å; M153-Y326 HydrophobicContact SD-CE2 3.81Å; V176-Y326 HydrophobicContact CG2-CG 4.38Å; Y182-Y326 HydrophobicContact CE1-CD1 4.22Å; H186-Y326 AromaticContact CD2-CE1 3.74Å; H186-Y326 AromaticContact NE2-CE1 3.97Å; S223-Y326 VanDerWaalsContact CB-CD2 3.49Å; S223-Y326 VanDerWaalsContact CB-CE2 3.47Å; S223-Y326 WeakPolarHBondContact O-CD2 3.37Å; S223-Y326 WeakPolarHBondContact O-CE2 3.29Å; Y326-Y328 HydrophobicContact CE1-CD2 4.31Å; Y326-Y328 HydrophobicContact CE1-CG 4.36Å; Y326-Y328 WeakPolarHBondContact OH-CD2 3.37Å
327	D	88.3	Confident	91.5	Very high	61 Å²	61	40.4 Å²	40.4	33%	0.326	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	99.9	176.3	175.7	17.9	0	0	0	109.4	M153 I154 R339	M153-D327 CarbonylContact C-O 3.13Å; M153-D327 VanDerWaalsContact CA-O 3.25Å; M153-D327 WeakPolarHBondContact CA-O 3.36Å; I154-D327 HydrophobicContact CB-CB 4.38Å; I154-D327 PolarHBondContact N-O 3.12Å; I154-D327 PolarHBondContact O-N 2.96Å; I154-D327 VanDerWaalsContact O-N 3.07Å; D327-R339 IonicContact OD1-CZ 3.69Å; D327-R339 IonicContact OD1-NE 3.12Å; D327-R339 PolarHBondContact OD1-NE 3.02Å; D327-R339 IonicContact OD1-NH2 3.88Å; D327-R339 PolarHBondContact OD1-NH2 3.2Å; D327-R339 IonicContact OD2-CZ 3.62Å; D327-R339 IonicContact OD2-NE 2.76Å; D327-R339 PolarHBondContact OD2-NE 3.37Å; D327-R339 IonicContact OD2-NH2 3.83Å
328	Y	88.8	Confident	91.5	Very high	49 Å²	49	42.3 Å²	42.3	19%	0.192	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133.1	177.5	-174.8	-113.2	0	0	0	111.9	D152 Y182 H186 Y326 T330 R339	D152-Y328 HydrophobicContact CB-CD2 4.39Å; D152-Y328 HydrophobicContact CB-CE2 3.9Å; D152-Y328 VanDerWaalsContact CG-CE2 3.5Å; D152-Y328 WeakPolarHBondContact O-CD2 3.4Å; D152-Y328 WeakPolarHBondContact OD2-CE2 3.33Å; Y182-Y328 WeakPolarHBondContact OH-CB 3.36Å; H186-Y328 AromaticContact NE2-CD1 3.8Å; H186-Y328 AromaticContact NE2-CG 3.67Å; Y326-Y328 HydrophobicContact CE1-CD2 4.31Å; Y326-Y328 HydrophobicContact CE1-CG 4.36Å; Y326-Y328 WeakPolarHBondContact OH-CD2 3.37Å; Y328-T330 VanDerWaalsContact C-N 3.28Å; Y328-T330 HydrophobicContact CD1-CG2 3.86Å; Y328-T330 PolarHBondContact O-N 3.33Å; Y328-R339 PolarHBondContact O-NH2 3.14Å
329	L	90.6	Very high	91.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.22	C	C	.	.			trans	-77.2	78.8	176.5	-74.8	83.8	0	0	0	110.6	F99 R106 C109 V126 D152 I154	F99-L329 HydrophobicContact CE1-CD2 4Å; F99-L329 HydrophobicContact CE2-CB 4.21Å; F99-L329 HydrophobicContact CZ-CB 4.09Å; F99-L329 HydrophobicContact CZ-CD2 4.06Å; R106-L329 HydrophobicContact CB-CD2 4.05Å; R106-L329 HydrophobicContact CG-CB 4.02Å; R106-L329 HydrophobicContact CG-CD2 4.03Å; R106-L329 PolarHBondContact NE-O 3.09Å; R106-L329 PolarHBondContact NH2-O 2.95Å; R106-L329 VanDerWaalsContact NH2-O 3.16Å; C109-L329 HydrophobicContact CB-CD2 4.47Å; V126-L329 HydrophobicContact CG1-CD1 4.43Å; V126-L329 HydrophobicContact CG2-CD1 4.5Å; V126-L329 HydrophobicContact CG2-CD2 4.05Å; D152-L329 VanDerWaalsContact O-CD1 3.27Å; D152-L329 WeakPolarHBondContact O-CD1 3.46Å; D152-L329 PolarHBondContact O-N 2.99Å; I154-L329 HydrophobicContact CG1-CD1 4.21Å
330	T	90	Very high	91.3	Very high	30 Å²	30	41.5 Å²	41.5	18%	0.184	22%	0.215	C	C	.	.			trans	-61.8	165.1	178.2	67.9	0	0	0	0	113	F99 Y328 S332 Q335	F99-T330 WeakPolarHBondContact CE2-O 3.34Å; Y328-T330 VanDerWaalsContact C-N 3.28Å; Y328-T330 HydrophobicContact CD1-CG2 3.86Å; Y328-T330 PolarHBondContact O-N 3.33Å; T330-S332 PolarHBondContact O-N 3.46Å; T330-S332 PolarHBondContact OG1-N 3.39Å; T330-Q335 PolarHBondContact OG1-OE1 3.27Å
331	L	91	Very high	91.3	Very high	49 Å²	49	40.2 Å²	40.2	26%	0.257	21%	0.211	S	C	.	.	S	Bend	trans	-77.6	8.9	172.4	-58.9	179.8	0	0	0	113.4	P100 W101 L446 Q447	P100-L331 VanDerWaalsContact CD-CD2 3.48Å; P100-L331 HydrophobicContact CG-CD2 3.93Å; W101-L331 WeakPolarHBondContact CZ2-O 3.25Å; W101-L331 PolarHBondContact NE1-O 2.91Å; L331-L446 HydrophobicContact CB-CD1 4.5Å; L331-Q447 HydrophobicContact CD1-CG 4.16Å
332	S	93.3	Very high	90.7	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	23%	0.227	S	C	.	.			trans	-83	121.6	179	175	0	0	0	0	111.1	W101 T330 Q335 H336	W101-S332 PolarHBondContact NE1-O 3.34Å; T330-S332 PolarHBondContact O-N 3.46Å; T330-S332 PolarHBondContact OG1-N 3.39Å; S332-Q335 PolarHBondContact O-N 3.39Å; S332-Q335 PolarHBondContact OG-N 3.21Å; S332-H336 PolarHBondContact O-N 3.07Å; S332-H336 VanDerWaalsContact O-N 3.11Å
333	G	94.3	Very high	90	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-46.1	176.8	0	0	0	0	0	111.7	Q335 H336 V337	G333-Q335 PolarHBondContact O-N 3.06Å; G333-H336 WeakPolarHBondContact O-CB 3.39Å; G333-H336 PolarHBondContact O-N 2.98Å; G333-H336 VanDerWaalsContact O-N 3.12Å; G333-V337 WeakPolarHBondContact O-CG2 3.37Å; G333-V337 PolarHBondContact O-N 3.46Å
334	K	94.6	Very high	89.7	Confident	84 Å²	84	46.1 Å²	46.1	37%	0.365	22%	0.223	S	C	.	.	H	α-helix	trans	-53.4	-50.8	175	-178.9	-176.4	179.1	179.6	0	112.5	H336 V337 E338 T442	K334-H336 VanDerWaalsContact C-N 3.28Å; K334-H336 PolarHBondContact O-N 2.65Å; K334-V337 PolarHBondContact O-N 3.34Å; K334-E338 WeakPolarHBondContact CE-OE1 3.06Å; K334-E338 HydrophobicContact CG-CG 4.48Å; K334-E338 WeakPolarHBondContact O-CB 3.21Å; K334-E338 WeakPolarHBondContact O-CG 3.19Å; K334-E338 PolarHBondContact O-N 2.74Å; K334-T442 VanDerWaalsContact CB-O 3.3Å; K334-T442 WeakPolarHBondContact CB-O 3.34Å; K334-T442 PolarHBondContact N-O 3.46Å
335	Q	93.6	Very high	89.1	Confident	87 Å²	87	52.5 Å²	52.5	41%	0.407	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-33.1	-179.9	-70.9	-178.6	-17.8	0	0	112	T330 S332 G333 R339	T330-Q335 PolarHBondContact OG1-OE1 3.27Å; S332-Q335 PolarHBondContact O-N 3.39Å; S332-Q335 PolarHBondContact OG-N 3.21Å; G333-Q335 PolarHBondContact O-N 3.06Å; Q335-R339 VanDerWaalsContact O-CB 3.24Å; Q335-R339 WeakPolarHBondContact O-CB 3.25Å; Q335-R339 PolarHBondContact O-N 3.45Å
336	H	94.6	Very high	88.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-45.8	174.9	-178.7	71.3	0	0	0	112.4	F99 W101 S332 G333 K334 R339 L340	F99-H336 AromaticContact CZ-ND1 3.75Å; W101-H336 HydrophobicContact CB-CB 4.35Å; W101-H336 VanDerWaalsContact CB-CD2 3.41Å; W101-H336 WeakPolarHBondContact CB-CD2 3.47Å; W101-H336 AromaticContact CD1-CG 3.81Å; W101-H336 HydrophobicContact CG-CB 4.01Å; W101-H336 AromaticContact CG-CD2 3.92Å; W101-H336 AromaticContact CG-CG 3.85Å; S332-H336 PolarHBondContact O-N 3.07Å; S332-H336 VanDerWaalsContact O-N 3.11Å; G333-H336 WeakPolarHBondContact O-CB 3.39Å; G333-H336 PolarHBondContact O-N 2.98Å; G333-H336 VanDerWaalsContact O-N 3.12Å; K334-H336 VanDerWaalsContact C-N 3.28Å; K334-H336 PolarHBondContact O-N 2.65Å; H336-R339 PolarHBondContact O-N 2.74Å; H336-L340 PolarHBondContact O-N 2.71Å; H336-L340 VanDerWaalsContact O-N 3.15Å
337	V	95	Very high	88.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-45.1	174.5	175.4	0	0	0	0	110.9	G333 K334 R339 L340 T341 R380 V382 L399 T442	G333-V337 WeakPolarHBondContact O-CG2 3.37Å; G333-V337 PolarHBondContact O-N 3.46Å; K334-V337 PolarHBondContact O-N 3.34Å; V337-R339 VanDerWaalsContact C-N 3.32Å; V337-R339 PolarHBondContact O-N 3.35Å; V337-L340 PolarHBondContact O-N 3.43Å; V337-T341 HydrophobicContact CG1-CG2 4.41Å; V337-T341 WeakPolarHBondContact O-CB 3.23Å; V337-T341 VanDerWaalsContact O-CG2 3.32Å; V337-T341 WeakPolarHBondContact O-CG2 3.24Å; V337-T341 PolarHBondContact O-N 3.12Å; V337-T341 PolarHBondContact O-OG1 3.22Å; V337-R380 WeakPolarHBondContact CG1-O 3.33Å; V337-V382 HydrophobicContact CG1-CG2 4.27Å; V337-L399 HydrophobicContact CG2-CB 3.95Å; V337-L399 HydrophobicContact CG2-CD2 4.46Å; V337-T442 HydrophobicContact CG2-CG2 4.18Å
338	E	93.5	Very high	88.5	Confident	52 Å²	52	45 Å²	45	24%	0.243	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-43.8	174.7	-81.5	174.1	169.9	0	0	112	K334 L340 T341 S342 R380	K334-E338 WeakPolarHBondContact CE-OE1 3.06Å; K334-E338 HydrophobicContact CG-CG 4.48Å; K334-E338 WeakPolarHBondContact O-CB 3.21Å; K334-E338 WeakPolarHBondContact O-CG 3.19Å; K334-E338 PolarHBondContact O-N 2.74Å; E338-L340 VanDerWaalsContact C-N 3.34Å; E338-L340 PolarHBondContact O-N 3.31Å; E338-T341 WeakPolarHBondContact CA-OG1 3.36Å; E338-T341 PolarHBondContact O-N 3.34Å; E338-T341 PolarHBondContact O-OG1 3.45Å; E338-S342 WeakPolarHBondContact O-CA 3.37Å; E338-S342 WeakPolarHBondContact O-CB 3.24Å; E338-S342 PolarHBondContact O-N 3.26Å; E338-S342 PolarHBondContact O-OG 3.47Å; E338-R380 IonicContact OE1-CZ 3.83Å; E338-R380 IonicContact OE1-NH2 2.79Å; E338-R380 PolarHBondContact OE1-NH2 2.89Å
339	R	92.1	Very high	88.6	Confident	23 Å²	23	42.9 Å²	42.9	9%	0.087	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-38.6	178.5	-178.2	-177.9	-62.9	106.9	0.3	113.1	I154 D327 Y328 Q335 H336 V337 T341 W344	I154-R339 HydrophobicContact CD1-CG 4.47Å; D327-R339 IonicContact OD1-CZ 3.69Å; D327-R339 IonicContact OD1-NE 3.12Å; D327-R339 PolarHBondContact OD1-NE 3.02Å; D327-R339 IonicContact OD1-NH2 3.88Å; D327-R339 PolarHBondContact OD1-NH2 3.2Å; D327-R339 IonicContact OD2-CZ 3.62Å; D327-R339 IonicContact OD2-NE 2.76Å; D327-R339 PolarHBondContact OD2-NE 3.37Å; D327-R339 IonicContact OD2-NH2 3.83Å; Y328-R339 PolarHBondContact O-NH2 3.14Å; Q335-R339 VanDerWaalsContact O-CB 3.24Å; Q335-R339 WeakPolarHBondContact O-CB 3.25Å; Q335-R339 PolarHBondContact O-N 3.45Å; H336-R339 PolarHBondContact O-N 2.74Å; V337-R339 VanDerWaalsContact C-N 3.32Å; V337-R339 PolarHBondContact O-N 3.35Å; R339-T341 VanDerWaalsContact C-N 3.34Å; R339-W344 PolarHBondContact O-NE1 2.77Å
340	L	92.5	Very high	88.7	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-77.2	-24.8	179.1	-65.5	177.9	0	0	0	112	L111 P112 H336 V337 E338 W344 R365 I367 V382	L111-L340 HydrophobicContact CD2-CD2 4.44Å; P112-L340 HydrophobicContact CG-CD2 4.4Å; P112-L340 WeakPolarHBondContact CG-O 3.48Å; H336-L340 PolarHBondContact O-N 2.71Å; H336-L340 VanDerWaalsContact O-N 3.15Å; V337-L340 PolarHBondContact O-N 3.43Å; E338-L340 VanDerWaalsContact C-N 3.34Å; E338-L340 PolarHBondContact O-N 3.31Å; L340-W344 VanDerWaalsContact O-CD1 3.25Å; L340-R365 WeakPolarHBondContact O-CD 3.2Å; L340-R365 VanDerWaalsContact O-CG 3.27Å; L340-R365 WeakPolarHBondContact O-CG 3.41Å; L340-R365 PolarHBondContact O-NE 3.12Å; L340-I367 HydrophobicContact CD2-CD1 4.31Å; L340-V382 HydrophobicContact CB-CG1 4.46Å; L340-V382 HydrophobicContact CB-CG2 4.05Å; L340-V382 HydrophobicContact CD1-CG1 3.9Å
341	T	91.4	Very high	88.9	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.055	23%	0.226	C	C	.	.	H	α-helix	trans	-98.5	-29.8	-174.6	53.7	0	0	0	0	113.6	V337 E338 R339 R365 R380 V382	V337-T341 HydrophobicContact CG1-CG2 4.41Å; V337-T341 WeakPolarHBondContact O-CB 3.23Å; V337-T341 VanDerWaalsContact O-CG2 3.32Å; V337-T341 WeakPolarHBondContact O-CG2 3.24Å; V337-T341 PolarHBondContact O-N 3.12Å; V337-T341 PolarHBondContact O-OG1 3.22Å; E338-T341 WeakPolarHBondContact CA-OG1 3.36Å; E338-T341 PolarHBondContact O-N 3.34Å; E338-T341 PolarHBondContact O-OG1 3.45Å; R339-T341 VanDerWaalsContact C-N 3.34Å; T341-R365 HydrophobicContact CG2-CG 3.98Å; T341-R365 PolarHBondContact O-NH2 3.4Å; T341-R380 HydrophobicContact CG2-CB 4.46Å; T341-V382 HydrophobicContact CG2-CG2 3.43Å; T341-V382 VanDerWaalsContact CG2-CG2 3.43Å
342	S	78.7	Confident	89	Confident	49 Å²	49	39.5 Å²	39.5	34%	0.343	22%	0.216	S	C	.	.	S	Bend	trans	-89.9	148.8	-178.8	-45.8	0	0	0	0	110.4	E338 W344	E338-S342 WeakPolarHBondContact O-CA 3.37Å; E338-S342 WeakPolarHBondContact O-CB 3.24Å; E338-S342 PolarHBondContact O-N 3.26Å; E338-S342 PolarHBondContact O-OG 3.47Å; S342-W344 PolarHBondContact O-N 2.95Å; S342-W344 VanDerWaalsContact O-N 3.07Å; S342-W344 PolarHBondContact O-NE1 3.28Å
343	D	72.6	Confident	88.9	Confident	158 Å²	158	39.1 Å²	39.1	85%	0.845	21%	0.21	S	C	*	.	S	Bend	trans	70.4	-9.1	174.2	-52.9	-27.7	0	0	0	117.9
344	W	82.4	Confident	88.5	Confident	57 Å²	57	44.4 Å²	44.4	22%	0.216	24%	0.235	C	C	.	.			trans	-97	141.6	177.7	-50.4	97.4	0	0	0	112.8	L111 P112 E113 R339 L340 S342 R365	L111-W344 HydrophobicContact CB-CH2 4.14Å; L111-W344 HydrophobicContact CB-CZ2 4.3Å; L111-W344 HydrophobicContact CD1-CH2 3.99Å; L111-W344 HydrophobicContact CD1-CZ2 4.35Å; L111-W344 HydrophobicContact CD2-CZ2 4.25Å; L111-W344 HydrophobicContact CG-CH2 4.49Å; P112-W344 HydrophobicContact CB-CB 4.22Å; P112-W344 HydrophobicContact CB-CG 4.2Å; P112-W344 HydrophobicContact CG-CB 4.11Å; P112-W344 HydrophobicContact CG-CD2 4.05Å; P112-W344 HydrophobicContact CG-CG 3.63Å; E113-W344 HydrophobicContact CB-CE3 4.07Å; E113-W344 HydrophobicContact CB-CZ3 3.82Å; E113-W344 HydrophobicContact CG-CZ3 4.31Å; E113-W344 WeakPolarHBondContact OE2-CZ3 3.3Å; R339-W344 PolarHBondContact O-NE1 2.77Å; L340-W344 VanDerWaalsContact O-CD1 3.25Å; S342-W344 PolarHBondContact O-N 2.95Å; S342-W344 VanDerWaalsContact O-N 3.07Å; S342-W344 PolarHBondContact O-NE1 3.28Å; W344-R365 PolarHBondContact O-NH2 2.94Å
345	T	76.7	Confident	87.1	Confident	139 Å²	139	42.3 Å²	42.3	85%	0.853	23%	0.229	S	C	*	.			trans	-94.8	-19.7	177.4	54.9	0	0	0	0	113.1
346	V	81.8	Confident	85.7	Confident	47 Å²	47	42.5 Å²	42.5	29%	0.285	23%	0.233	S	C	.	.			trans	-89.6	111	-175.7	-174.6	0	0	0	0	110.1	N348 T349	V346-N348 WeakPolarHBondContact CG1-O 3.13Å; V346-T349 WeakPolarHBondContact CG1-OG1 3.27Å
347	G	81.1	Confident	84.1	Confident	19 Å²	19	49.5 Å²	49.5	20%	0.196	27%	0.265	C	S	.	.	S	Bend	trans	-78.2	-30.8	177.6	0	0	0	0	0	114.1	R365 V366	G347-R365 WeakPolarHBondContact O-CA 3.41Å; G347-V366 PolarHBondContact O-N 3.01Å
348	N	89.8	Confident	82.8	Confident	47 Å²	47	57.9 Å²	57.9	25%	0.251	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.7	179.7	173.7	4	0	0	0	109	V346 S351 I353	V346-N348 WeakPolarHBondContact CG1-O 3.13Å; N348-S351 WeakPolarHBondContact OD1-CA 3.04Å; N348-S351 WeakPolarHBondContact OD1-CB 3.39Å; N348-S351 PolarHBondContact OD1-N 3.41Å; N348-I353 HydrophobicContact CB-CD1 4.31Å
349	T	91.6	Very high	82.3	Confident	3 Å²	3	58 Å²	58	2%	0.018	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.8	-178.4	-58.9	0	0	0	0	109.5	P112 E114 V346 S351 V366 I367 N368	P112-T349 VanDerWaalsContact CA-OG1 3.29Å; P112-T349 WeakPolarHBondContact CA-OG1 3.08Å; E114-T349 HydrophobicContact CG-CG2 3.94Å; V346-T349 WeakPolarHBondContact CG1-OG1 3.27Å; T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 PolarHBondContact O-OG 3.39Å; T349-V366 PolarHBondContact N-O 2.97Å; T349-I367 WeakPolarHBondContact O-CA 3.35Å; T349-N368 PolarHBondContact O-N 2.99Å
350	L	92.2	Very high	82.1	Confident	1 Å²	1	59 Å²	59	1%	0.005	31%	0.311	C	S	.	.	S	Bend	trans	51.8	19	178.1	-55.2	-179.6	0	0	0	115.1	W110 E114 Q121 P123 L548 R555	W110-L350 HydrophobicContact CE3-CD1 4.44Å; W110-L350 HydrophobicContact CZ3-CD1 3.99Å; E114-L350 HydrophobicContact CG-CD2 4.32Å; E114-L350 HydrophobicContact CG-CG 4.49Å; E114-L350 PolarHBondContact OE1-N 2.98Å; Q121-L350 VanDerWaalsContact CD-CD2 3.46Å; Q121-L350 HydrophobicContact CG-CD2 3.31Å; P123-L350 HydrophobicContact CB-CD1 4.08Å; L350-L548 HydrophobicContact CB-CD1 3.94Å; L350-L548 HydrophobicContact CD1-CD1 4Å; L350-L548 HydrophobicContact CD2-CD1 4.44Å; L350-L548 HydrophobicContact CG-CD1 4.37Å; L350-R555 PolarHBondContact O-NH1 2.67Å
351	S	93.7	Very high	82	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.007	33%	0.327	C	S	.	.			trans	-105.6	168.8	-176.3	-49.9	0	0	0	0	111.6	N348 T349 V366 I367 N368 S369 R555	N348-S351 WeakPolarHBondContact OD1-CA 3.04Å; N348-S351 WeakPolarHBondContact OD1-CB 3.39Å; N348-S351 PolarHBondContact OD1-N 3.41Å; T349-S351 PolarHBondContact O-N 3.26Å; T349-S351 PolarHBondContact O-OG 3.39Å; S351-V366 PolarHBondContact OG-O 3.09Å; S351-I367 WeakPolarHBondContact OG-CA 3.27Å; S351-I367 PolarHBondContact OG-N 3.27Å; S351-N368 PolarHBondContact OG-N 3.36Å; S351-S369 CarbonylContact C-O 3.57Å; S351-S369 WeakPolarHBondContact CA-O 3.23Å; S351-S369 WeakPolarHBondContact CB-O 3.2Å; S351-S369 PolarHBondContact OG-N 3.18Å; S351-R555 VanDerWaalsContact C-NH1 3.3Å; S351-R555 WeakPolarHBondContact O-CD 3.17Å; S351-R555 PolarHBondContact O-NH1 3.35Å
352	H	94.1	Very high	81.7	Confident	7 Å²	7	69.7 Å²	69.7	3%	0.032	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.9	172	173.6	-94.6	0	0	0	108.9	S369 A370 L371 A551 K554 R555 D558	H352-S369 PolarHBondContact N-O 2.99Å; H352-A370 WeakPolarHBondContact O-CA 3.49Å; H352-L371 PolarHBondContact O-N 3.34Å; H352-A551 HydrophobicContact CB-CB 3.89Å; H352-K554 HydrophobicContact CB-CB 4.12Å; H352-K554 VanDerWaalsContact CD2-CB 3.4Å; H352-K554 WeakPolarHBondContact CD2-CB 3.48Å; H352-K554 VanDerWaalsContact ND1-CD 3.33Å; H352-K554 WeakPolarHBondContact ND1-CD 3.41Å; H352-R555 HydrophobicContact CB-CG 4.36Å; H352-D558 IonicContact CD2-OD2 3.87Å; H352-D558 PolarHBondContact CD2-OD2 3.35Å; H352-D558 IonicContact CE1-OD2 2.73Å; H352-D558 IonicContact NE2-OD1 2.9Å; H352-D558 IonicContact NE2-OD2 3.75Å; H352-D558 PolarHBondContact NE2-OD2 2.93Å
353	I	91.8	Very high	82	Confident	32 Å²	32	68.3 Å²	68.3	16%	0.164	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	109.6	-179.8	-53.5	179.4	0	0	0	106.5	N348 V355 V366 L371	N348-I353 HydrophobicContact CB-CD1 4.31Å; I353-V355 WeakPolarHBondContact CG2-O 3.4Å; I353-V366 HydrophobicContact CD1-CG2 4.26Å; I353-L371 HydrophobicContact CD1-CD1 4.39Å; I353-L371 HydrophobicContact CG1-CD1 4.11Å; I353-L371 HydrophobicContact CG1-CG 4.39Å; I353-L371 HydrophobicContact CG2-CB 4.42Å
354	Q	84.3	Confident	83	Confident	112 Å²	112	60.8 Å²	60.8	52%	0.523	32%	0.319	S	S	.	.			trans	-70.5	-33.5	-173.2	-171.3	-177.6	9.9	0	0	112.9	L371	Q354-L371 WeakPolarHBondContact CB-O 3.23Å; Q354-L371 PolarHBondContact N-O 3.15Å
355	V	66.2	Low	83.6	Confident	41 Å²	41	59 Å²	59	25%	0.248	31%	0.312	C	S	.	.	S	Bend	trans	-117.2	132.4	-172.3	-173.9	0	0	0	0	111.5	I353 L359 G373 D374	I353-V355 WeakPolarHBondContact CG2-O 3.4Å; V355-L359 HydrophobicContact CG1-CD1 4.18Å; V355-G373 VanDerWaalsContact CG2-C 3.42Å; V355-G373 WeakPolarHBondContact CG2-O 3.22Å; V355-D374 WeakPolarHBondContact CG1-OD1 3.15Å
356	N	63.4	Low	84.5	Confident	91 Å²	91	52.4 Å²	52.4	49%	0.487	27%	0.271	S	S	.	.			trans	21.1	101.2	164.4	-164.7	4.2	0	0	0	115.5	K358 L359	N356-K358 PolarHBondContact O-N 2.98Å; N356-K358 WeakPolarHBondContact OD1-CB 3.23Å; N356-K358 WeakPolarHBondContact OD1-CD 3.41Å; N356-K358 WeakPolarHBondContact OD1-CG 3.42Å; N356-K358 PolarHBondContact OD1-N 3.34Å; N356-L359 PolarHBondContact O-N 3.33Å
357	E	62	Low	85.2	Confident	146 Å²	146	50.1 Å²	50.1	68%	0.682	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-51.2	-18.3	177.1	-68.3	-173.8	160.4	0	0	114.1	L359 L360	E357-L359 PolarHBondContact O-N 2.95Å; E357-L359 VanDerWaalsContact O-N 3.13Å; E357-L360 VanDerWaalsContact O-CB 3.31Å; E357-L360 WeakPolarHBondContact O-CB 3.39Å; E357-L360 PolarHBondContact O-N 2.7Å
358	K	67.6	Low	85.9	Confident	180 Å²	180	49.2 Å²	49.2	78%	0.783	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-58.8	-17.6	171.3	-64.1	-179.6	-174.8	-179.1	0	114.7	N356	N356-K358 PolarHBondContact O-N 2.98Å; N356-K358 WeakPolarHBondContact OD1-CB 3.23Å; N356-K358 WeakPolarHBondContact OD1-CD 3.41Å; N356-K358 WeakPolarHBondContact OD1-CG 3.42Å; N356-K358 PolarHBondContact OD1-N 3.34Å
359	L	81.9	Confident	86.3	Confident	55 Å²	55	47 Å²	47	29%	0.288	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-77.8	-10.2	174.1	-66	179.2	0	0	0	112.9	V355 N356 E357 D374 A376 V377	V355-L359 HydrophobicContact CG1-CD1 4.18Å; N356-L359 PolarHBondContact O-N 3.33Å; E357-L359 PolarHBondContact O-N 2.95Å; E357-L359 VanDerWaalsContact O-N 3.13Å; L359-D374 HydrophobicContact CD1-CB 4.42Å; L359-A376 HydrophobicContact CB-CB 4.49Å; L359-A376 HydrophobicContact CD2-CB 4.4Å; L359-A376 WeakPolarHBondContact O-CA 3.39Å; L359-V377 PolarHBondContact O-N 3.3Å
360	L	89.1	Confident	86.5	Confident	45 Å²	45	46.9 Å²	46.9	24%	0.236	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-91.4	111.5	171.8	-167.4	81.1	0	0	0	109.2	E357 A364 V366 V377	E357-L360 VanDerWaalsContact O-CB 3.31Å; E357-L360 WeakPolarHBondContact O-CB 3.39Å; E357-L360 PolarHBondContact O-N 2.7Å; L360-A364 HydrophobicContact CD1-CB 3.73Å; L360-A364 HydrophobicContact CG-CB 3.96Å; L360-V366 HydrophobicContact CD1-CG2 3.57Å; L360-V377 HydrophobicContact CD1-CB 4.03Å; L360-V377 HydrophobicContact CD1-CG2 4.3Å
361	S	89	Confident	86.7	Confident	49 Å²	49	46.9 Å²	46.9	34%	0.343	24%	0.236	S	C	.	.			trans	-70.7	156.2	176.9	-59.7	0	0	0	0	111.7	G363 A364 V377 T379	S361-G363 PolarHBondContact O-N 2.95Å; S361-A364 WeakPolarHBondContact O-CB 3.48Å; S361-A364 PolarHBondContact O-N 3.38Å; S361-V377 WeakPolarHBondContact CB-O 3.33Å; S361-V377 PolarHBondContact N-O 2.88Å; S361-V377 PolarHBondContact OG-O 3.11Å; S361-T379 WeakPolarHBondContact CB-OG1 3.49Å
362	E	85.5	Confident	86.6	Confident	184 Å²	184	47.7 Å²	47.7	86%	0.86	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	129.4	172.9	-167	176.8	178.5	0	0	110.2	T379	E362-T379 WeakPolarHBondContact O-CB 3.22Å; E362-T379 VanDerWaalsContact O-CG2 3.26Å; E362-T379 WeakPolarHBondContact O-CG2 3.35Å; E362-T379 PolarHBondContact O-OG1 3.44Å
363	G	86.2	Confident	86.4	Confident	21 Å²	21	48.2 Å²	48.2	22%	0.216	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-0.5	-175.3	0	0	0	0	0	115.7	S361 R380	S361-G363 PolarHBondContact O-N 2.95Å; G363-R380 PolarHBondContact O-N 3.05Å
364	A	92.8	Very high	86.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.			trans	-73.9	154	167.9	0	0	0	0	0	111.4	L360 S361 V377 A378 A381	L360-A364 HydrophobicContact CD1-CB 3.73Å; L360-A364 HydrophobicContact CG-CB 3.96Å; S361-A364 WeakPolarHBondContact O-CB 3.48Å; S361-A364 PolarHBondContact O-N 3.38Å; A364-V377 HydrophobicContact CB-CB 4.18Å; A364-V377 HydrophobicContact CB-CG1 3.84Å; A364-A378 WeakPolarHBondContact CB-O 3.32Å; A364-A381 WeakPolarHBondContact CA-O 3.35Å
365	R	94.7	Very high	86.8	Confident	19 Å²	19	46 Å²	46	7%	0.072	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.5	-178.5	-58.1	-70.9	176.8	-106.6	4.2	111.7	L340 T341 W344 G347 A381 V382 V383	L340-R365 WeakPolarHBondContact O-CD 3.2Å; L340-R365 VanDerWaalsContact O-CG 3.27Å; L340-R365 WeakPolarHBondContact O-CG 3.41Å; L340-R365 PolarHBondContact O-NE 3.12Å; T341-R365 HydrophobicContact CG2-CG 3.98Å; T341-R365 PolarHBondContact O-NH2 3.4Å; W344-R365 PolarHBondContact O-NH2 2.94Å; G347-R365 WeakPolarHBondContact O-CA 3.41Å; R365-A381 PolarHBondContact N-O 3.14Å; R365-V382 HydrophobicContact CB-CG1 4.37Å; R365-V382 HydrophobicContact CB-CG2 4.26Å; R365-V382 CarbonylContact O-C 3.54Å; R365-V382 WeakPolarHBondContact O-CA 3.06Å; R365-V383 PolarHBondContact O-N 2.87Å
366	V	95.9	Very high	88.1	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.2	172.6	-170.5	0	0	0	0	108.5	G347 T349 S351 I353 L360 L371 V377 V383	G347-V366 PolarHBondContact O-N 3.01Å; T349-V366 PolarHBondContact N-O 2.97Å; S351-V366 PolarHBondContact OG-O 3.09Å; I353-V366 HydrophobicContact CD1-CG2 4.26Å; L360-V366 HydrophobicContact CD1-CG2 3.57Å; V366-L371 HydrophobicContact CG1-CD1 4.02Å; V366-L371 HydrophobicContact CG1-CG 4.28Å; V366-L371 HydrophobicContact CG2-CD1 4.05Å; V366-V377 HydrophobicContact CG2-CG2 4.41Å; V366-V383 CarbonylContact C-O 3.57Å; V366-V383 VanDerWaalsContact CA-O 3.32Å; V366-V383 WeakPolarHBondContact CA-O 3.38Å; V366-V383 HydrophobicContact CG1-CB 4.43Å
367	I	96.6	Very high	89.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.9	-173.1	-52.2	174.7	0	0	0	108.8	W110 P112 L340 T349 S351 S369 V383 Q384 H385	W110-I367 HydrophobicContact CB-CG2 3.98Å; W110-I367 HydrophobicContact CE3-CG2 4.27Å; P112-I367 HydrophobicContact CB-CD1 4.13Å; P112-I367 HydrophobicContact CB-CG1 4.37Å; P112-I367 HydrophobicContact CG-CD1 3.99Å; L340-I367 HydrophobicContact CD2-CD1 4.31Å; T349-I367 WeakPolarHBondContact O-CA 3.35Å; S351-I367 WeakPolarHBondContact OG-CA 3.27Å; S351-I367 PolarHBondContact OG-N 3.27Å; I367-S369 VanDerWaalsContact C-N 3.28Å; I367-S369 PolarHBondContact O-N 3.13Å; I367-S369 VanDerWaalsContact O-N 3.13Å; I367-S369 PolarHBondContact O-OG 3.22Å; I367-V383 PolarHBondContact N-O 2.88Å; I367-Q384 HydrophobicContact CB-CB 4.06Å; I367-Q384 CarbonylContact O-C 3.5Å; I367-Q384 VanDerWaalsContact O-CA 3.23Å; I367-Q384 WeakPolarHBondContact O-CA 3.4Å; I367-H385 PolarHBondContact O-N 2.94Å
368	N	96.4	Very high	91.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	44.5	47.2	177.7	-164.7	59.4	0	0	0	115.3	W110 T349 S351 H385 R544 L548	W110-N368 HydrophobicContact CE3-CB 3.54Å; W110-N368 HydrophobicContact CH2-CB 4.1Å; W110-N368 WeakPolarHBondContact CH2-OD1 3.09Å; W110-N368 HydrophobicContact CZ3-CB 3.25Å; W110-N368 WeakPolarHBondContact CZ3-OD1 3.3Å; T349-N368 PolarHBondContact O-N 2.99Å; S351-N368 PolarHBondContact OG-N 3.36Å; N368-H385 PolarHBondContact ND2-ND1 3.26Å; N368-H385 WeakPolarHBondContact O-CA 3.37Å; N368-R544 PolarHBondContact ND2-O 3.17Å; N368-L548 VanDerWaalsContact OD1-CA 3.26Å; N368-L548 WeakPolarHBondContact OD1-CA 3.39Å; N368-L548 VanDerWaalsContact OD1-CB 3.31Å; N368-L548 WeakPolarHBondContact OD1-CB 3.31Å; N368-L548 PolarHBondContact OD1-N 3.02Å
369	S	97.1	Very high	92.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.			trans	-126.8	159.7	-174.8	-60.4	0	0	0	0	111.8	S351 H352 I367 H385 C386	S351-S369 CarbonylContact C-O 3.57Å; S351-S369 WeakPolarHBondContact CA-O 3.23Å; S351-S369 WeakPolarHBondContact CB-O 3.2Å; S351-S369 PolarHBondContact OG-N 3.18Å; H352-S369 PolarHBondContact N-O 2.99Å; I367-S369 VanDerWaalsContact C-N 3.28Å; I367-S369 PolarHBondContact O-N 3.13Å; I367-S369 VanDerWaalsContact O-N 3.13Å; I367-S369 PolarHBondContact O-OG 3.22Å; S369-H385 PolarHBondContact OG-N 3.08Å; S369-H385 VanDerWaalsContact OG-N 3.14Å; S369-C386 CarbonylContact C-O 3.55Å; S369-C386 WeakPolarHBondContact CA-O 3.22Å; S369-C386 WeakPolarHBondContact CB-O 3.48Å; S369-C386 PolarHBondContact OG-N 3.31Å
370	A	96.3	Very high	92.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.6	170.6	0	0	0	0	0	108.7	H352 C386 H387 L388 L550	H352-A370 WeakPolarHBondContact O-CA 3.49Å; A370-C386 PolarHBondContact N-O 3.44Å; A370-H387 CarbonylContact O-C 3.56Å; A370-H387 WeakPolarHBondContact O-CA 3.46Å; A370-H387 PolarHBondContact O-CD2 3.05Å; A370-L388 PolarHBondContact O-N 2.91Å; A370-L550 HydrophobicContact CB-CD2 4.1Å; A370-L550 HydrophobicContact CB-CG 4.5Å
371	L	95.4	Very high	93.2	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	105.5	178.8	-50.8	-172.6	0	0	0	109	H352 I353 Q354 V366 V375 V377 V383 L388	H352-L371 PolarHBondContact O-N 3.34Å; I353-L371 HydrophobicContact CD1-CD1 4.39Å; I353-L371 HydrophobicContact CG1-CD1 4.11Å; I353-L371 HydrophobicContact CG1-CG 4.39Å; I353-L371 HydrophobicContact CG2-CB 4.42Å; Q354-L371 WeakPolarHBondContact CB-O 3.23Å; Q354-L371 PolarHBondContact N-O 3.15Å; V366-L371 HydrophobicContact CG1-CD1 4.02Å; V366-L371 HydrophobicContact CG1-CG 4.28Å; V366-L371 HydrophobicContact CG2-CD1 4.05Å; L371-V375 HydrophobicContact CB-CB 4.23Å; L371-V375 HydrophobicContact CB-CG2 4.3Å; L371-V375 HydrophobicContact CD1-CB 4.37Å; L371-V375 HydrophobicContact CD1-CG1 4.19Å; L371-V375 HydrophobicContact CD2-CG1 4.36Å; L371-V377 HydrophobicContact CD1-CG2 4.33Å; L371-V383 HydrophobicContact CD2-CG1 4.18Å; L371-L388 HydrophobicContact CD2-CB 3.86Å; L371-L388 HydrophobicContact CD2-CD1 3.81Å; L371-L388 HydrophobicContact CD2-CG 3.92Å
372	D	93	Very high	93.6	Very high	17 Å²	17	27.6 Å²	27.6	9%	0.091	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.3	-179.9	-68.8	-30.2	0	0	0	110.7	H387 L388 Q389 G390 K554	D372-H387 IonicContact OD2-CD2 2.94Å; D372-H387 IonicContact OD2-CE1 3.22Å; D372-H387 IonicContact OD2-NE2 2.64Å; D372-H387 PolarHBondContact OD2-NE2 2.72Å; D372-L388 PolarHBondContact N-O 3.03Å; D372-Q389 CarbonylContact O-C 3.59Å; D372-Q389 WeakPolarHBondContact O-CA 3.12Å; D372-Q389 PolarHBondContact O-NE2 2.82Å; D372-G390 PolarHBondContact O-N 2.67Å; D372-K554 IonicContact OD1-NZ 3.51Å; D372-K554 PolarHBondContact OD1-NZ 3.18Å; D372-K554 IonicContact OD2-NZ 3.49Å; D372-K554 PolarHBondContact OD2-NZ 2.95Å
373	G	89.9	Confident	94.1	Very high	18 Å²	18	18.9 Å²	18.9	19%	0.186	11%	0.111	C	C	.	.	S	Bend	trans	67.8	-160.6	-173.2	0	0	0	0	0	114.2	V355 V375	V355-G373 VanDerWaalsContact CG2-C 3.42Å; V355-G373 WeakPolarHBondContact CG2-O 3.22Å; G373-V375 PolarHBondContact O-N 3.47Å; G373-V375 VanDerWaalsContact O-N 3.11Å
374	D	90.6	Very high	94.6	Very high	93 Å²	93	17.9 Å²	17.9	50%	0.497	10%	0.1	S	C	.	.	S	Bend	trans	-77.2	95.7	-172.9	-60.6	-22.7	0	0	0	111.5	V355 L359 G390 P391 L392	V355-D374 WeakPolarHBondContact CG1-OD1 3.15Å; L359-D374 HydrophobicContact CD1-CB 4.42Å; D374-G390 WeakPolarHBondContact O-CA 3.48Å; D374-P391 CarbonylContact O-C 3.5Å; D374-P391 WeakPolarHBondContact O-CA 3.2Å; D374-L392 PolarHBondContact O-N 3.45Å
375	V	92.9	Very high	94.8	Very high	5 Å²	5	18 Å²	18	3%	0.03	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.1	175.2	-176.4	0	0	0	0	109.3	L371 G373 V377 L388 L392 I394	L371-V375 HydrophobicContact CB-CB 4.23Å; L371-V375 HydrophobicContact CB-CG2 4.3Å; L371-V375 HydrophobicContact CD1-CB 4.37Å; L371-V375 HydrophobicContact CD1-CG1 4.19Å; L371-V375 HydrophobicContact CD2-CG1 4.36Å; G373-V375 PolarHBondContact O-N 3.47Å; G373-V375 VanDerWaalsContact O-N 3.11Å; V375-V377 HydrophobicContact CG1-CG2 4.42Å; V375-L388 HydrophobicContact CG1-CD1 4.36Å; V375-L388 HydrophobicContact CG2-CB 4.41Å; V375-L392 CarbonylContact C-O 3.47Å; V375-L392 WeakPolarHBondContact CA-O 3.45Å; V375-L392 HydrophobicContact CG1-CB 4.43Å; V375-L392 HydrophobicContact CG2-CB 4.47Å; V375-I394 HydrophobicContact CG1-CD1 4.01Å
376	A	93.4	Very high	95	Very high	23 Å²	23	17.1 Å²	17.1	19%	0.19	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.9	176	0	0	0	0	0	110.9	L359 L392 D393 I394	L359-A376 HydrophobicContact CB-CB 4.49Å; L359-A376 HydrophobicContact CD2-CB 4.4Å; L359-A376 WeakPolarHBondContact O-CA 3.39Å; A376-L392 PolarHBondContact N-O 2.81Å; A376-D393 WeakPolarHBondContact CB-OD1 3.35Å; A376-I394 PolarHBondContact O-N 3.5Å
377	V	94.9	Very high	95	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.5	179.4	-167.6	0	0	0	0	108.7	L359 L360 S361 A364 V366 L371 V375 A381 V383 I394	L359-V377 PolarHBondContact O-N 3.3Å; L360-V377 HydrophobicContact CD1-CB 4.03Å; L360-V377 HydrophobicContact CD1-CG2 4.3Å; S361-V377 WeakPolarHBondContact CB-O 3.33Å; S361-V377 PolarHBondContact N-O 2.88Å; S361-V377 PolarHBondContact OG-O 3.11Å; A364-V377 HydrophobicContact CB-CB 4.18Å; A364-V377 HydrophobicContact CB-CG1 3.84Å; V366-V377 HydrophobicContact CG2-CG2 4.41Å; L371-V377 HydrophobicContact CD1-CG2 4.33Å; V375-V377 HydrophobicContact CG1-CG2 4.42Å; V377-A381 HydrophobicContact CG1-CB 3.79Å; V377-V383 HydrophobicContact CG1-CG2 4.14Å; V377-V383 HydrophobicContact CG2-CG2 4.23Å; V377-I394 HydrophobicContact CG2-CD1 4.27Å
378	A	95	Very high	95	Very high	27 Å²	27	18.6 Å²	18.6	22%	0.223	10%	0.104	C	C	.	.			trans	-73.5	165.6	-177.2	0	0	0	0	0	112.8	A364 R380 A381 I394	A364-A378 WeakPolarHBondContact CB-O 3.32Å; A378-R380 PolarHBondContact O-N 3.19Å; A378-A381 WeakPolarHBondContact O-CB 3.32Å; A378-A381 PolarHBondContact O-N 3.3Å; A378-A381 VanDerWaalsContact O-N 3.08Å; A378-I394 WeakPolarHBondContact CB-O 3.19Å; A378-I394 PolarHBondContact N-O 3.49Å
379	T	92.1	Very high	94.8	Very high	66 Å²	66	21.7 Å²	21.7	41%	0.405	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139	176.5	-64.9	0	0	0	0	111.2	S361 E362 A381 S396	S361-T379 WeakPolarHBondContact CB-OG1 3.49Å; E362-T379 WeakPolarHBondContact O-CB 3.22Å; E362-T379 VanDerWaalsContact O-CG2 3.26Å; E362-T379 WeakPolarHBondContact O-CG2 3.35Å; E362-T379 PolarHBondContact O-OG1 3.44Å; T379-A381 PolarHBondContact O-N 3.33Å; T379-A381 VanDerWaalsContact O-N 3.08Å; T379-S396 VanDerWaalsContact O-CA 3.32Å; T379-S396 WeakPolarHBondContact O-CA 3.23Å; T379-S396 WeakPolarHBondContact O-CB 3.35Å; T379-S396 PolarHBondContact O-OG 2.97Å; T379-S396 VanDerWaalsContact O-OG 3.11Å
380	R	92.9	Very high	94.4	Very high	103 Å²	103	22 Å²	22	39%	0.389	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	10.7	-177.4	-64.3	176.4	62.4	149.5	-2.3	115.2	V337 E338 T341 G363 A378 G397	V337-R380 WeakPolarHBondContact CG1-O 3.33Å; E338-R380 IonicContact OE1-CZ 3.83Å; E338-R380 IonicContact OE1-NH2 2.79Å; E338-R380 PolarHBondContact OE1-NH2 2.89Å; T341-R380 HydrophobicContact CG2-CB 4.46Å; G363-R380 PolarHBondContact O-N 3.05Å; A378-R380 PolarHBondContact O-N 3.19Å; R380-G397 WeakPolarHBondContact O-CA 3.22Å; R380-G397 PolarHBondContact O-N 3.07Å
381	A	96.1	Very high	94.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.			trans	-86.3	148.2	168.8	0	0	0	0	0	110.9	A364 R365 V377 A378 T379 I394 P395 C398	A364-A381 WeakPolarHBondContact CA-O 3.35Å; R365-A381 PolarHBondContact N-O 3.14Å; V377-A381 HydrophobicContact CG1-CB 3.79Å; A378-A381 WeakPolarHBondContact O-CB 3.32Å; A378-A381 PolarHBondContact O-N 3.3Å; A378-A381 VanDerWaalsContact O-N 3.08Å; T379-A381 PolarHBondContact O-N 3.33Å; T379-A381 VanDerWaalsContact O-N 3.08Å; A381-I394 HydrophobicContact CB-CG2 3.99Å; A381-P395 VanDerWaalsContact CB-O 3.27Å; A381-P395 WeakPolarHBondContact CB-O 3.17Å; A381-C398 CarbonylContact C-O 3.59Å; A381-C398 VanDerWaalsContact CA-O 3.27Å; A381-C398 WeakPolarHBondContact CA-O 3.4Å
382	V	97.3	Very high	94	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.7	-178.7	-177	0	0	0	0	109.6	V337 L340 T341 R365 C398 L399 L400	V337-V382 HydrophobicContact CG1-CG2 4.27Å; L340-V382 HydrophobicContact CB-CG1 4.46Å; L340-V382 HydrophobicContact CB-CG2 4.05Å; L340-V382 HydrophobicContact CD1-CG1 3.9Å; T341-V382 HydrophobicContact CG2-CG2 3.43Å; T341-V382 VanDerWaalsContact CG2-CG2 3.43Å; R365-V382 HydrophobicContact CB-CG1 4.37Å; R365-V382 HydrophobicContact CB-CG2 4.26Å; R365-V382 CarbonylContact O-C 3.54Å; R365-V382 WeakPolarHBondContact O-CA 3.06Å; V382-C398 PolarHBondContact N-O 3.01Å; V382-L399 HydrophobicContact CB-CD1 3.66Å; V382-L399 HydrophobicContact CG1-CD1 3.58Å; V382-L399 CarbonylContact O-C 3.03Å; V382-L399 WeakPolarHBondContact O-CA 3.47Å; V382-L400 PolarHBondContact O-N 3.41Å
383	V	97.5	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.8	169.8	-175.7	0	0	0	0	107.9	R365 V366 I367 L371 V377 C386 L388 I394 L400	R365-V383 PolarHBondContact O-N 2.87Å; V366-V383 CarbonylContact C-O 3.57Å; V366-V383 VanDerWaalsContact CA-O 3.32Å; V366-V383 WeakPolarHBondContact CA-O 3.38Å; V366-V383 HydrophobicContact CG1-CB 4.43Å; I367-V383 PolarHBondContact N-O 2.88Å; L371-V383 HydrophobicContact CD2-CG1 4.18Å; V377-V383 HydrophobicContact CG1-CG2 4.14Å; V377-V383 HydrophobicContact CG2-CG2 4.23Å; V383-C386 HydrophobicContact CG1-CB 3.71Å; V383-L388 HydrophobicContact CG1-CD1 3.8Å; V383-I394 HydrophobicContact CG2-CD1 3.44Å; V383-I394 VanDerWaalsContact CG2-CD1 3.44Å; V383-L400 WeakPolarHBondContact CA-O 3.44Å
384	Q	96.8	Very high	94.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.4	179.8	71.3	179.6	3.4	0	0	112.7	W101 I367 C386 L399 L400 S401 G402	W101-Q384 PolarHBondContact O-NE2 2.99Å; I367-Q384 HydrophobicContact CB-CB 4.06Å; I367-Q384 CarbonylContact O-C 3.5Å; I367-Q384 VanDerWaalsContact O-CA 3.23Å; I367-Q384 WeakPolarHBondContact O-CA 3.4Å; Q384-C386 PolarHBondContact O-N 3.28Å; Q384-C386 PolarHBondContact O-SG 2.82Å; Q384-L399 HydrophobicContact CG-CD1 4.08Å; Q384-L400 PolarHBondContact N-O 3.25Å; Q384-S401 WeakPolarHBondContact CG-OG 3.33Å; Q384-S401 PolarHBondContact NE2-OG 3.1Å; Q384-S401 VanDerWaalsContact NE2-OG 3.17Å; Q384-S401 WeakPolarHBondContact O-CA 3.33Å; Q384-G402 PolarHBondContact O-N 2.95Å; Q384-G402 VanDerWaalsContact O-N 3.15Å
385	H	97.1	Very high	94.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	16%	0.156	C	C	.	.	S	Bend	trans	53.4	39.1	176.5	-44	-56.4	0	0	0	113.4	W110 I367 N368 S369 G402 W543 R544 L547	W110-H385 AromaticContact CD2-CE1 3.61Å; W110-H385 AromaticContact CE3-CE1 3.88Å; W110-H385 AromaticContact CG-CE1 3.79Å; I367-H385 PolarHBondContact O-N 2.94Å; N368-H385 PolarHBondContact ND2-ND1 3.26Å; N368-H385 WeakPolarHBondContact O-CA 3.37Å; S369-H385 PolarHBondContact OG-N 3.08Å; S369-H385 VanDerWaalsContact OG-N 3.14Å; H385-G402 WeakPolarHBondContact O-CA 3.37Å; H385-G402 PolarHBondContact O-N 3.36Å; H385-W543 PolarHBondContact O-NE1 2.89Å; H385-R544 HydrophobicContact CB-CG 4.25Å; H385-L547 HydrophobicContact CB-CD1 4.23Å; H385-L547 VanDerWaalsContact O-CD1 3.26Å; H385-L547 WeakPolarHBondContact O-CD1 3.37Å
386	C	97.4	Very high	94.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.			trans	-114.6	149.9	-178.8	-66	0	0	0	0	112.1	S369 A370 V383 Q384 L388 L400 V403	S369-C386 CarbonylContact C-O 3.55Å; S369-C386 WeakPolarHBondContact CA-O 3.22Å; S369-C386 WeakPolarHBondContact CB-O 3.48Å; S369-C386 PolarHBondContact OG-N 3.31Å; A370-C386 PolarHBondContact N-O 3.44Å; V383-C386 HydrophobicContact CG1-CB 3.71Å; Q384-C386 PolarHBondContact O-N 3.28Å; Q384-C386 PolarHBondContact O-SG 2.82Å; C386-L388 HydrophobicContact CB-CD1 4.32Å; C386-L388 HydrophobicContact CB-CD2 3.86Å; C386-L388 HydrophobicContact CB-CG 3.82Å; C386-L400 PolarHBondContact SG-O 2.95Å; C386-V403 CarbonylContact C-O 3.51Å; C386-V403 VanDerWaalsContact CA-O 3.24Å; C386-V403 WeakPolarHBondContact CA-O 3.45Å; C386-V403 HydrophobicContact CB-CB 4.4Å; C386-V403 PolarHBondContact SG-N 2.83Å; C386-V403 VanDerWaalsContact SG-N 3.41Å
387	H	97	Very high	94.7	Very high	31 Å²	31	29 Å²	29	14%	0.144	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	101.1	161.5	-171.6	179.3	0	0	0	108.1	A370 D372 V403 D404 V405 W543 L547	A370-H387 CarbonylContact O-C 3.56Å; A370-H387 WeakPolarHBondContact O-CA 3.46Å; A370-H387 PolarHBondContact O-CD2 3.05Å; D372-H387 IonicContact OD2-CD2 2.94Å; D372-H387 IonicContact OD2-CE1 3.22Å; D372-H387 IonicContact OD2-NE2 2.64Å; D372-H387 PolarHBondContact OD2-NE2 2.72Å; H387-V403 PolarHBondContact N-O 3.25Å; H387-D404 CarbonylContact O-C 3.59Å; H387-V405 HydrophobicContact CB-CG2 3.92Å; H387-V405 WeakPolarHBondContact CE1-CG2 3.41Å; H387-V405 WeakPolarHBondContact ND1-CG2 3.44Å; H387-V405 WeakPolarHBondContact O-CA 3.17Å; H387-V405 PolarHBondContact O-N 2.64Å; H387-V405 VanDerWaalsContact O-N 3.1Å; H387-W543 HydrophobicContact CB-CH2 4.33Å; H387-L547 HydrophobicContact CB-CD2 3.85Å
388	L	95.4	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.3	-174.1	-54.3	-176.1	0	0	0	110.5	A370 L371 D372 V375 V383 C386 L392 I394 L400 V403	A370-L388 PolarHBondContact O-N 2.91Å; L371-L388 HydrophobicContact CD2-CB 3.86Å; L371-L388 HydrophobicContact CD2-CD1 3.81Å; L371-L388 HydrophobicContact CD2-CG 3.92Å; D372-L388 PolarHBondContact N-O 3.03Å; V375-L388 HydrophobicContact CG1-CD1 4.36Å; V375-L388 HydrophobicContact CG2-CB 4.41Å; V383-L388 HydrophobicContact CG1-CD1 3.8Å; C386-L388 HydrophobicContact CB-CD1 4.32Å; C386-L388 HydrophobicContact CB-CD2 3.86Å; C386-L388 HydrophobicContact CB-CG 3.82Å; L388-L392 HydrophobicContact CD1-CD2 4.1Å; L388-I394 HydrophobicContact CD1-CD1 3.76Å; L388-L400 HydrophobicContact CD1-CD2 4.19Å; L388-V403 HydrophobicContact CD2-CB 3.97Å; L388-V403 HydrophobicContact CD2-CG1 3.76Å
389	Q	92.6	Very high	94.9	Very high	65 Å²	65	27.7 Å²	27.7	30%	0.304	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.3	171.7	-176.2	77.6	58.4	0	0	109.5	D372 V405 S408 R412	D372-Q389 CarbonylContact O-C 3.59Å; D372-Q389 WeakPolarHBondContact O-CA 3.12Å; D372-Q389 PolarHBondContact O-NE2 2.82Å; Q389-V405 HydrophobicContact CB-CG1 4.23Å; Q389-S408 PolarHBondContact N-OG 3.37Å; Q389-S408 VanDerWaalsContact N-OG 3.11Å; Q389-R412 VanDerWaalsContact C-NH2 3.27Å; Q389-R412 PolarHBondContact O-NE 3.41Å; Q389-R412 PolarHBondContact O-NH2 2.81Å
390	G	88.3	Confident	95.2	Very high	7 Å²	7	24.6 Å²	24.6	7%	0.072	13%	0.133	C	C	.	.	S	Bend	trans	-74.9	169.7	175.6	0	0	0	0	0	114.6	D372 D374 R412	D372-G390 PolarHBondContact O-N 2.67Å; D374-G390 WeakPolarHBondContact O-CA 3.48Å; G390-R412 PolarHBondContact O-NH1 3.25Å; G390-R412 PolarHBondContact O-NH2 3.04Å
391	P	91.3	Very high	95.4	Very high	90 Å²	90	19.9 Å²	19.9	58%	0.584	12%	0.116	S	C	*	.	S	Bend	cis	-73	133.7	5	29.1	-34.9	0	0	0	112.8	D374 R412	D374-P391 CarbonylContact O-C 3.5Å; D374-P391 WeakPolarHBondContact O-CA 3.2Å; P391-R412 VanDerWaalsContact O-CD 3.24Å; P391-R412 WeakPolarHBondContact O-CD 3.3Å; P391-R412 VanDerWaalsContact O-CG 3.28Å; P391-R412 WeakPolarHBondContact O-CG 3.46Å
392	L	92.4	Very high	95.4	Very high	9 Å²	9	20 Å²	20	5%	0.047	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	133.2	177.9	-174.9	70.1	0	0	0	111.2	D374 V375 A376 L388 I394 L411 R412	D374-L392 PolarHBondContact O-N 3.45Å; V375-L392 CarbonylContact C-O 3.47Å; V375-L392 WeakPolarHBondContact CA-O 3.45Å; V375-L392 HydrophobicContact CG1-CB 4.43Å; V375-L392 HydrophobicContact CG2-CB 4.47Å; A376-L392 PolarHBondContact N-O 2.81Å; L388-L392 HydrophobicContact CD1-CD2 4.1Å; L392-I394 HydrophobicContact CD2-CD1 4.22Å; L392-I394 HydrophobicContact CD2-CG1 4.11Å; L392-I394 HydrophobicContact CG-CG1 4.29Å; L392-L411 HydrophobicContact CD1-CB 3.78Å; L392-R412 HydrophobicContact CD1-CG 4.36Å
393	D	92.8	Very high	95.3	Very high	125 Å²	125	20 Å²	20	67%	0.668	12%	0.117	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.8	173.6	-63.2	-51.1	0	0	0	110.1	A376 P395	A376-D393 WeakPolarHBondContact CB-OD1 3.35Å; D393-P395 WeakPolarHBondContact O-CD 3.49Å
394	I	95.4	Very high	95.1	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.3	179.1	-60.2	170.7	0	0	0	108.5	V375 A376 V377 A378 A381 V383 L388 L392 C398 L400	V375-I394 HydrophobicContact CG1-CD1 4.01Å; A376-I394 PolarHBondContact O-N 3.5Å; V377-I394 HydrophobicContact CG2-CD1 4.27Å; A378-I394 WeakPolarHBondContact CB-O 3.19Å; A378-I394 PolarHBondContact N-O 3.49Å; A381-I394 HydrophobicContact CB-CG2 3.99Å; V383-I394 HydrophobicContact CG2-CD1 3.44Å; V383-I394 VanDerWaalsContact CG2-CD1 3.44Å; L388-I394 HydrophobicContact CD1-CD1 3.76Å; L392-I394 HydrophobicContact CD2-CD1 4.22Å; L392-I394 HydrophobicContact CD2-CG1 4.11Å; L392-I394 HydrophobicContact CG-CG1 4.29Å; I394-C398 HydrophobicContact CG2-CB 4.18Å; I394-L400 HydrophobicContact CD1-CD2 3.88Å; I394-L400 HydrophobicContact CG1-CD2 4.16Å; I394-L400 HydrophobicContact CG2-CD1 4.07Å
395	P	96.1	Very high	94.9	Very high	26 Å²	26	23.8 Å²	23.8	17%	0.169	14%	0.139	C	C	.	.			trans	-68.2	166.7	-174.6	-18.6	30.3	0	0	0	114.5	A381 D393 C398 L416	A381-P395 VanDerWaalsContact CB-O 3.27Å; A381-P395 WeakPolarHBondContact CB-O 3.17Å; D393-P395 WeakPolarHBondContact O-CD 3.49Å; P395-C398 WeakPolarHBondContact O-CB 3.46Å; P395-C398 PolarHBondContact O-N 2.86Å; P395-L416 HydrophobicContact CG-CB 3.78Å; P395-L416 WeakPolarHBondContact CG-O 3.32Å
396	S	95.9	Very high	94.5	Very high	49 Å²	49	27.8 Å²	27.8	34%	0.343	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	141.7	179.7	173.8	0	0	0	0	111.9	T379 C398 S418 D419	T379-S396 VanDerWaalsContact O-CA 3.32Å; T379-S396 WeakPolarHBondContact O-CA 3.23Å; T379-S396 WeakPolarHBondContact O-CB 3.35Å; T379-S396 PolarHBondContact O-OG 2.97Å; T379-S396 VanDerWaalsContact O-OG 3.11Å; S396-C398 PolarHBondContact O-N 3.44Å; S396-C398 VanDerWaalsContact O-N 3.17Å; S396-S418 WeakPolarHBondContact O-CA 3.48Å; S396-S418 VanDerWaalsContact O-CB 3.29Å; S396-S418 WeakPolarHBondContact O-CB 3.39Å; S396-D419 PolarHBondContact O-N 3.37Å
397	G	94.6	Very high	94.2	Very high	2 Å²	2	28 Å²	28	2%	0.021	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-1.2	176.2	0	0	0	0	0	115.2	R380 T442	R380-G397 WeakPolarHBondContact O-CA 3.22Å; R380-G397 PolarHBondContact O-N 3.07Å; G397-T442 WeakPolarHBondContact O-CG2 3.42Å
398	C	96.9	Very high	93.9	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	16%	0.162	C	C	.	.			trans	-77.4	150.3	179.4	-67.7	0	0	0	0	112.8	A381 V382 I394 P395 S396 L400 S417 I420	A381-C398 CarbonylContact C-O 3.59Å; A381-C398 VanDerWaalsContact CA-O 3.27Å; A381-C398 WeakPolarHBondContact CA-O 3.4Å; V382-C398 PolarHBondContact N-O 3.01Å; I394-C398 HydrophobicContact CG2-CB 4.18Å; P395-C398 WeakPolarHBondContact O-CB 3.46Å; P395-C398 PolarHBondContact O-N 2.86Å; S396-C398 PolarHBondContact O-N 3.44Å; S396-C398 VanDerWaalsContact O-N 3.17Å; C398-L400 HydrophobicContact CB-CD1 4.38Å; C398-S417 PolarHBondContact SG-O 2.91Å; C398-I420 CarbonylContact C-O 3.51Å; C398-I420 WeakPolarHBondContact CA-O 3.38Å; C398-I420 VanDerWaalsContact CB-O 3.31Å; C398-I420 WeakPolarHBondContact CB-O 3.39Å; C398-I420 PolarHBondContact SG-N 3.19Å
399	L	97.6	Very high	93.4	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.4	169.9	169.8	63.7	0	0	0	109.7	V337 V382 Q384 I420 I421 I422	V337-L399 HydrophobicContact CG2-CB 3.95Å; V337-L399 HydrophobicContact CG2-CD2 4.46Å; V382-L399 HydrophobicContact CB-CD1 3.66Å; V382-L399 HydrophobicContact CG1-CD1 3.58Å; V382-L399 CarbonylContact O-C 3.03Å; V382-L399 WeakPolarHBondContact O-CA 3.47Å; Q384-L399 HydrophobicContact CG-CD1 4.08Å; L399-I420 PolarHBondContact N-O 3.29Å; L399-I421 HydrophobicContact CB-CB 4.4Å; L399-I421 HydrophobicContact CB-CG1 4.1Å; L399-I421 HydrophobicContact CB-CG2 4.12Å; L399-I421 HydrophobicContact CD2-CG2 3.91Å; L399-I421 HydrophobicContact CG-CG2 4.15Å; L399-I421 CarbonylContact O-C 3.57Å; L399-I421 WeakPolarHBondContact O-CA 3.03Å; L399-I422 PolarHBondContact O-N 3.14Å
400	L	97.5	Very high	93.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	123.9	168.8	-84	62.4	0	0	0	108.5	V382 V383 Q384 C386 L388 I394 C398 V403 L411 I422	V382-L400 PolarHBondContact O-N 3.41Å; V383-L400 WeakPolarHBondContact CA-O 3.44Å; Q384-L400 PolarHBondContact N-O 3.25Å; C386-L400 PolarHBondContact SG-O 2.95Å; L388-L400 HydrophobicContact CD1-CD2 4.19Å; I394-L400 HydrophobicContact CD1-CD2 3.88Å; I394-L400 HydrophobicContact CG1-CD2 4.16Å; I394-L400 HydrophobicContact CG2-CD1 4.07Å; C398-L400 HydrophobicContact CB-CD1 4.38Å; L400-V403 HydrophobicContact CB-CG2 4.48Å; L400-L411 HydrophobicContact CD2-CD1 3.76Å; L400-I422 WeakPolarHBondContact CA-O 3.46Å; L400-I422 HydrophobicContact CG-CB 4.49Å
401	S	97.1	Very high	93.1	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134	179.1	-169.4	0	0	0	0	112.2	Q384 V403 I422 Q423 G424	Q384-S401 WeakPolarHBondContact CG-OG 3.33Å; Q384-S401 PolarHBondContact NE2-OG 3.1Å; Q384-S401 VanDerWaalsContact NE2-OG 3.17Å; Q384-S401 WeakPolarHBondContact O-CA 3.33Å; S401-V403 PolarHBondContact O-N 3.46Å; S401-I422 PolarHBondContact N-O 3.3Å; S401-Q423 CarbonylContact O-C 3.55Å; S401-Q423 VanDerWaalsContact O-CA 3.28Å; S401-Q423 WeakPolarHBondContact O-CA 3.4Å; S401-G424 PolarHBondContact O-N 3.31Å
402	G	95.9	Very high	92.8	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	69.8	17.3	170.4	0	0	0	0	0	115.1	Q384 H385	Q384-G402 PolarHBondContact O-N 2.95Å; Q384-G402 VanDerWaalsContact O-N 3.15Å; H385-G402 WeakPolarHBondContact O-CA 3.37Å; H385-G402 PolarHBondContact O-N 3.36Å
403	V	95.6	Very high	92.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.			trans	-83.9	126	-177.4	-178.6	0	0	0	0	110.1	C386 H387 L388 L400 S401 A407 L411	C386-V403 CarbonylContact C-O 3.51Å; C386-V403 VanDerWaalsContact CA-O 3.24Å; C386-V403 WeakPolarHBondContact CA-O 3.45Å; C386-V403 HydrophobicContact CB-CB 4.4Å; C386-V403 PolarHBondContact SG-N 2.83Å; C386-V403 VanDerWaalsContact SG-N 3.41Å; H387-V403 PolarHBondContact N-O 3.25Å; L388-V403 HydrophobicContact CD2-CB 3.97Å; L388-V403 HydrophobicContact CD2-CG1 3.76Å; L400-V403 HydrophobicContact CB-CG2 4.48Å; S401-V403 PolarHBondContact O-N 3.46Å; V403-A407 HydrophobicContact CG1-CB 3.75Å; V403-L411 HydrophobicContact CG1-CD1 4.08Å
404	D	93.9	Very high	92.1	Very high	32 Å²	32	28.2 Å²	28.2	17%	0.171	15%	0.152	C	C	.	.			trans	-88.6	175.5	176.2	69	37.1	0	0	0	113	H387 S406 A407 S408 Y437 W543	H387-D404 CarbonylContact O-C 3.59Å; D404-S406 VanDerWaalsContact C-N 3.28Å; D404-S406 PolarHBondContact O-N 3.06Å; D404-S406 WeakPolarHBondContact OD1-CA 3.49Å; D404-S406 WeakPolarHBondContact OD1-CB 3.47Å; D404-S406 PolarHBondContact OD1-N 3.15Å; D404-A407 PolarHBondContact O-N 3.47Å; D404-A407 PolarHBondContact OD1-N 2.99Å; D404-S408 WeakPolarHBondContact O-CB 3.38Å; D404-S408 PolarHBondContact O-N 3.04Å; D404-Y437 PolarHBondContact OD2-OH 2.79Å; D404-W543 HydrophobicContact CB-CH2 4.07Å; D404-W543 HydrophobicContact CB-CZ2 4.37Å
405	V	92.6	Very high	91.6	Very high	49 Å²	49	32.8 Å²	32.8	30%	0.297	19%	0.189	S	C	.	.	H	α-helix	trans	-59.9	-39.9	-178.5	179.4	0	0	0	0	111.4	H387 Q389 S408 T409	H387-V405 HydrophobicContact CB-CG2 3.92Å; H387-V405 WeakPolarHBondContact CE1-CG2 3.41Å; H387-V405 WeakPolarHBondContact ND1-CG2 3.44Å; H387-V405 WeakPolarHBondContact O-CA 3.17Å; H387-V405 PolarHBondContact O-N 2.64Å; H387-V405 VanDerWaalsContact O-N 3.1Å; Q389-V405 HydrophobicContact CB-CG1 4.23Å; V405-S408 PolarHBondContact O-N 2.8Å; V405-S408 PolarHBondContact O-OG 2.8Å; V405-T409 PolarHBondContact O-N 2.9Å
406	S	89.2	Confident	91.2	Very high	87 Å²	87	32.7 Å²	32.7	61%	0.608	19%	0.188	S	C	*	.	H	α-helix	trans	-64.7	-48.3	-178.5	-176.1	0	0	0	0	110.7	D404 S408 T409	D404-S406 VanDerWaalsContact C-N 3.28Å; D404-S406 PolarHBondContact O-N 3.06Å; D404-S406 WeakPolarHBondContact OD1-CA 3.49Å; D404-S406 WeakPolarHBondContact OD1-CB 3.47Å; D404-S406 PolarHBondContact OD1-N 3.15Å; S406-S408 VanDerWaalsContact C-N 3.32Å; S406-S408 PolarHBondContact O-N 2.74Å; S406-T409 PolarHBondContact O-N 3.4Å; S406-T409 PolarHBondContact O-OG1 3.33Å
407	A	90.1	Very high	91	Very high	3 Å²	3	33.7 Å²	33.7	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-34.5	176.5	0	0	0	0	0	112.4	V403 D404 T409 C410 L411 Y437 L503	V403-A407 HydrophobicContact CG1-CB 3.75Å; D404-A407 PolarHBondContact O-N 3.47Å; D404-A407 PolarHBondContact OD1-N 2.99Å; A407-T409 VanDerWaalsContact C-N 3.28Å; A407-T409 PolarHBondContact O-N 2.73Å; A407-C410 VanDerWaalsContact O-CB 3.31Å; A407-C410 WeakPolarHBondContact O-CB 3.5Å; A407-C410 PolarHBondContact O-N 2.64Å; A407-L411 PolarHBondContact O-N 3.1Å; A407-Y437 HydrophobicContact CB-CE1 3.74Å; A407-Y437 HydrophobicContact CB-CE2 4.49Å; A407-Y437 WeakPolarHBondContact CB-OH 3.23Å; A407-L503 HydrophobicContact CB-CB 4.15Å; A407-L503 HydrophobicContact CB-CD1 4.16Å
408	S	89.9	Confident	91	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-34.6	175.9	82.8	0	0	0	0	112.9	Q389 D404 V405 S406 C410 L411 R412	Q389-S408 PolarHBondContact N-OG 3.37Å; Q389-S408 VanDerWaalsContact N-OG 3.11Å; D404-S408 WeakPolarHBondContact O-CB 3.38Å; D404-S408 PolarHBondContact O-N 3.04Å; V405-S408 PolarHBondContact O-N 2.8Å; V405-S408 PolarHBondContact O-OG 2.8Å; S406-S408 VanDerWaalsContact C-N 3.32Å; S406-S408 PolarHBondContact O-N 2.74Å; S408-C410 VanDerWaalsContact C-N 3.26Å; S408-C410 PolarHBondContact O-N 3.2Å; S408-L411 PolarHBondContact O-N 3.04Å; S408-R412 PolarHBondContact O-N 3.41Å
409	T	86.3	Confident	91	Very high	54 Å²	54	38.7 Å²	38.7	33%	0.331	23%	0.225	S	C	.	.	H	α-helix	trans	-66.3	-29.8	175.9	65.4	0	0	0	0	112.7	V405 S406 A407	V405-T409 PolarHBondContact O-N 2.9Å; S406-T409 PolarHBondContact O-N 3.4Å; S406-T409 PolarHBondContact O-OG1 3.33Å; A407-T409 VanDerWaalsContact C-N 3.28Å; A407-T409 PolarHBondContact O-N 2.73Å
410	C	85.1	Confident	91	Very high	16 Å²	16	38.9 Å²	38.9	11%	0.108	23%	0.226	C	C	.	.	H	α-helix	trans	-71.2	-41.1	175.4	-59.6	0	0	0	0	111.1	A407 S408 R412 R413 L503 E504	A407-C410 VanDerWaalsContact O-CB 3.31Å; A407-C410 WeakPolarHBondContact O-CB 3.5Å; A407-C410 PolarHBondContact O-N 2.64Å; S408-C410 VanDerWaalsContact C-N 3.26Å; S408-C410 PolarHBondContact O-N 3.2Å; C410-R412 PolarHBondContact O-N 3.15Å; C410-R413 PolarHBondContact O-N 2.97Å; C410-L503 HydrophobicContact CB-CD2 4.12Å; C410-E504 HydrophobicContact CB-CB 4.03Å
411	L	89.3	Confident	91	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-57.9	-29.9	178	-66.9	177.5	0	0	0	112.6	L392 L400 V403 A407 S408 R413 L414 L416 I422 L503	L392-L411 HydrophobicContact CD1-CB 3.78Å; L400-L411 HydrophobicContact CD2-CD1 3.76Å; V403-L411 HydrophobicContact CG1-CD1 4.08Å; A407-L411 PolarHBondContact O-N 3.1Å; S408-L411 PolarHBondContact O-N 3.04Å; L411-R413 PolarHBondContact O-N 3.31Å; L411-L414 HydrophobicContact CD2-CD1 4.05Å; L411-L414 WeakPolarHBondContact O-CB 3.38Å; L411-L414 PolarHBondContact O-N 3.22Å; L411-L416 HydrophobicContact CD2-CD1 4.46Å; L411-L416 HydrophobicContact CD2-CD2 4.38Å; L411-I422 HydrophobicContact CD2-CD1 3.8Å; L411-L503 HydrophobicContact CD2-CD1 3.83Å; L411-L503 HydrophobicContact CD2-CD2 3.99Å; L411-L503 HydrophobicContact CG-CD1 4.21Å
412	R	85.8	Confident	91	Very high	96 Å²	96	38.7 Å²	38.7	36%	0.362	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	176.3	-53.6	-169	-166.9	161.1	10.9	114.2	Q389 G390 P391 L392 S408 C410 L414	Q389-R412 VanDerWaalsContact C-NH2 3.27Å; Q389-R412 PolarHBondContact O-NE 3.41Å; Q389-R412 PolarHBondContact O-NH2 2.81Å; G390-R412 PolarHBondContact O-NH1 3.25Å; G390-R412 PolarHBondContact O-NH2 3.04Å; P391-R412 VanDerWaalsContact O-CD 3.24Å; P391-R412 WeakPolarHBondContact O-CD 3.3Å; P391-R412 VanDerWaalsContact O-CG 3.28Å; P391-R412 WeakPolarHBondContact O-CG 3.46Å; L392-R412 HydrophobicContact CD1-CG 4.36Å; S408-R412 PolarHBondContact O-N 3.41Å; C410-R412 PolarHBondContact O-N 3.15Å; R412-L414 VanDerWaalsContact C-N 3.32Å
413	R	83.4	Confident	91	Very high	144 Å²	144	38.8 Å²	38.8	54%	0.543	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-4.9	178.1	-64.1	-165.7	-77.1	-104.8	-2	112.5	C410 L411 E504	C410-R413 PolarHBondContact O-N 2.97Å; L411-R413 PolarHBondContact O-N 3.31Å; R413-E504 IonicContact CZ-OE1 3.43Å; R413-E504 VanDerWaalsContact CZ-OE1 3.26Å; R413-E504 IonicContact CZ-OE2 3.52Å; R413-E504 IonicContact NE-OE1 2.75Å; R413-E504 PolarHBondContact NE-OE1 3.48Å; R413-E504 IonicContact NH2-OE1 2.94Å; R413-E504 PolarHBondContact NH2-OE1 3.26Å; R413-E504 IonicContact NH2-OE2 2.78Å; R413-E504 PolarHBondContact NH2-OE2 3.15Å
414	L	85.6	Confident	91	Very high	22 Å²	22	39 Å²	39	12%	0.115	23%	0.226	C	C	.	.	S	Bend	trans	-103.6	133.2	-176.8	-58.8	178.9	0	0	0	110	L411 R412 L416 L503 L511	L411-L414 HydrophobicContact CD2-CD1 4.05Å; L411-L414 WeakPolarHBondContact O-CB 3.38Å; L411-L414 PolarHBondContact O-N 3.22Å; R412-L414 VanDerWaalsContact C-N 3.32Å; L414-L416 HydrophobicContact CB-CD2 4.11Å; L414-L416 HydrophobicContact CB-CG 4.47Å; L414-L416 HydrophobicContact CD1-CD2 4.46Å; L414-L416 PolarHBondContact O-N 2.88Å; L414-L503 HydrophobicContact CD1-CD2 3.98Å; L414-L511 HydrophobicContact CD1-CB 4.47Å; L414-L511 HydrophobicContact CD1-CD1 4.21Å
415	A	84.6	Confident	91.1	Very high	98 Å²	98	37.5 Å²	37.5	81%	0.81	22%	0.218	S	C	*	.			trans	-84	84.3	166.7	0	0	0	0	0	108.3	S417	A415-S417 PolarHBondContact O-N 3.26Å
416	L	88.7	Confident	91.2	Very high	25 Å²	25	36.5 Å²	36.5	13%	0.131	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-62.2	129.4	-179.4	-63.8	179.3	0	0	0	110.2	P395 L411 L414 I422 L511	P395-L416 HydrophobicContact CG-CB 3.78Å; P395-L416 WeakPolarHBondContact CG-O 3.32Å; L411-L416 HydrophobicContact CD2-CD1 4.46Å; L411-L416 HydrophobicContact CD2-CD2 4.38Å; L414-L416 HydrophobicContact CB-CD2 4.11Å; L414-L416 HydrophobicContact CB-CG 4.47Å; L414-L416 HydrophobicContact CD1-CD2 4.46Å; L414-L416 PolarHBondContact O-N 2.88Å; L416-I422 HydrophobicContact CD1-CD1 4.42Å; L416-I422 HydrophobicContact CD2-CD1 3.81Å; L416-L511 HydrophobicContact CD2-CD1 4.06Å
417	S	91.3	Very high	91.4	Very high	69 Å²	69	32.5 Å²	32.5	48%	0.483	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-79.7	158.8	168	57.2	0	0	0	0	110.8	C398 A415 I420	C398-S417 PolarHBondContact SG-O 2.91Å; A415-S417 PolarHBondContact O-N 3.26Å; S417-I420 VanDerWaalsContact OG-CG1 3.23Å; S417-I420 WeakPolarHBondContact OG-CG1 3.42Å
418	S	95.2	Very high	91.4	Very high	57 Å²	57	35.1 Å²	35.1	40%	0.399	19%	0.193	S	C	.	.	S	Bend	trans	-58.6	159	170.2	-56.6	0	0	0	0	112	S396 I420	S396-S418 WeakPolarHBondContact O-CA 3.48Å; S396-S418 VanDerWaalsContact O-CB 3.29Å; S396-S418 WeakPolarHBondContact O-CB 3.39Å; S418-I420 VanDerWaalsContact C-N 3.31Å; S418-I420 PolarHBondContact O-N 2.98Å
419	D	96.9	Very high	91.4	Very high	53 Å²	53	36.5 Å²	36.5	28%	0.283	20%	0.2	S	C	.	.	S	Bend	trans	62.3	33.9	170	-63	-60.2	0	0	0	114.2	S396 T442 N459	S396-D419 PolarHBondContact O-N 3.37Å; D419-T442 HydrophobicContact CB-CG2 4.33Å; D419-T442 WeakPolarHBondContact CB-OG1 3.28Å; D419-T442 WeakPolarHBondContact O-CG2 3.36Å; D419-T442 PolarHBondContact O-N 3.11Å; D419-T442 PolarHBondContact O-OG1 3.45Å; D419-N459 PolarHBondContact O-ND2 3.18Å
420	I	96.9	Very high	91.4	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.2	175.5	-60	-59.9	0	0	0	111.2	C398 L399 S417 S418 I422 L458 L511	C398-I420 CarbonylContact C-O 3.51Å; C398-I420 WeakPolarHBondContact CA-O 3.38Å; C398-I420 VanDerWaalsContact CB-O 3.31Å; C398-I420 WeakPolarHBondContact CB-O 3.39Å; C398-I420 PolarHBondContact SG-N 3.19Å; L399-I420 PolarHBondContact N-O 3.29Å; S417-I420 VanDerWaalsContact OG-CG1 3.23Å; S417-I420 WeakPolarHBondContact OG-CG1 3.42Å; S418-I420 VanDerWaalsContact C-N 3.31Å; S418-I420 PolarHBondContact O-N 2.98Å; I420-I422 HydrophobicContact CG2-CD1 4.5Å; I420-I422 HydrophobicContact CG2-CG1 3.95Å; I420-L458 HydrophobicContact CD1-CB 4.49Å; I420-L458 HydrophobicContact CD1-CD2 4.21Å; I420-L511 HydrophobicContact CG2-CD2 4.12Å
421	I	97.4	Very high	91.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.9	174.3	-55.4	-177.8	0	0	0	108.6	W101 L399 Q423 V439 V440 T442	W101-I421 HydrophobicContact CE3-CD1 4.09Å; W101-I421 HydrophobicContact CE3-CG2 4.39Å; W101-I421 HydrophobicContact CH2-CD1 4.03Å; W101-I421 HydrophobicContact CZ3-CD1 3.68Å; W101-I421 HydrophobicContact CZ3-CG2 4.19Å; L399-I421 HydrophobicContact CB-CB 4.4Å; L399-I421 HydrophobicContact CB-CG1 4.1Å; L399-I421 HydrophobicContact CB-CG2 4.12Å; L399-I421 HydrophobicContact CD2-CG2 3.91Å; L399-I421 HydrophobicContact CG-CG2 4.15Å; L399-I421 CarbonylContact O-C 3.57Å; L399-I421 WeakPolarHBondContact O-CA 3.03Å; I421-Q423 HydrophobicContact CG2-CG 3.81Å; I421-V439 VanDerWaalsContact O-CA 3.32Å; I421-V439 WeakPolarHBondContact O-CA 3.44Å; I421-V440 HydrophobicContact CB-CG2 3.79Å; I421-V440 HydrophobicContact CD1-CG2 4.26Å; I421-V440 HydrophobicContact CG1-CG2 4.39Å; I421-V440 HydrophobicContact CG2-CG2 4.28Å; I421-V440 PolarHBondContact N-O 3.18Å; I421-V440 PolarHBondContact O-N 3.31Å; I421-T442 HydrophobicContact CD1-CG2 4.02Å; I421-T442 HydrophobicContact CG1-CG2 3.72Å
422	I	96.8	Very high	91.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.1	176	-51.4	-176.3	0	0	0	108.2	L399 L400 S401 L411 L416 I420 T438 V439 L503 L511	L399-I422 PolarHBondContact O-N 3.14Å; L400-I422 WeakPolarHBondContact CA-O 3.46Å; L400-I422 HydrophobicContact CG-CB 4.49Å; S401-I422 PolarHBondContact N-O 3.3Å; L411-I422 HydrophobicContact CD2-CD1 3.8Å; L416-I422 HydrophobicContact CD1-CD1 4.42Å; L416-I422 HydrophobicContact CD2-CD1 3.81Å; I420-I422 HydrophobicContact CG2-CD1 4.5Å; I420-I422 HydrophobicContact CG2-CG1 3.95Å; I422-T438 WeakPolarHBondContact CA-O 3.48Å; I422-V439 HydrophobicContact CG1-CG1 4.2Å; I422-V439 HydrophobicContact CG2-CG1 4.3Å; I422-L503 HydrophobicContact CG2-CD1 4.06Å; I422-L511 HydrophobicContact CD1-CD1 3.81Å; I422-L511 HydrophobicContact CG1-CD1 4.46Å
423	Q	96.8	Very high	91.7	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	132.3	-178.5	-56.4	177.4	-103.9	0	0	110.9	P100 S401 I421 H425 Y437 T438	P100-Q423 PolarHBondContact O-NE2 2.69Å; P100-Q423 PolarHBondContact O-OE1 3.36Å; S401-Q423 CarbonylContact O-C 3.55Å; S401-Q423 VanDerWaalsContact O-CA 3.28Å; S401-Q423 WeakPolarHBondContact O-CA 3.4Å; I421-Q423 HydrophobicContact CG2-CG 3.81Å; Q423-H425 WeakPolarHBondContact CB-NE2 3.39Å; Q423-Y437 CarbonylContact O-C 3.56Å; Q423-Y437 VanDerWaalsContact O-CA 3.29Å; Q423-Y437 WeakPolarHBondContact O-CA 3.29Å; Q423-T438 PolarHBondContact N-O 3.48Å; Q423-T438 PolarHBondContact O-N 2.91Å
424	G	95.9	Very high	92.1	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.2	164.5	0	0	0	0	0	110.3	S401	S401-G424 PolarHBondContact O-N 3.31Å
425	H	94.9	Very high	92.4	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.7	179.8	-54.4	-95	0	0	0	110.1	Q423 I427 N435 V436 T438 V531	Q423-H425 WeakPolarHBondContact CB-NE2 3.39Å; H425-I427 HydrophobicContact CB-CG2 4.13Å; H425-N435 WeakPolarHBondContact O-CA 3.4Å; H425-V436 PolarHBondContact N-O 2.96Å; H425-V436 PolarHBondContact O-N 3.46Å; H425-T438 PolarHBondContact NE2-OG1 3.29Å; H425-V531 HydrophobicContact CB-CG1 3.78Å
426	R	94.6	Very high	92.9	Very high	29 Å²	29	42.9 Å²	42.9	11%	0.109	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.4	168.8	-69.7	154.3	-171.7	73.3	8.6	108.7	L434 N435 H536 A539 E540	R426-L434 WeakPolarHBondContact CA-O 3.32Å; R426-N435 VanDerWaalsContact CG-OD1 3.23Å; R426-N435 WeakPolarHBondContact CG-OD1 3.44Å; R426-H536 PolarHBondContact O-N 3.07Å; R426-A539 HydrophobicContact CB-CB 4.15Å; R426-A539 WeakPolarHBondContact CD-O 3.47Å; R426-E540 HydrophobicContact CB-CG 4.31Å; R426-E540 VanDerWaalsContact CB-OE1 3.31Å; R426-E540 WeakPolarHBondContact CB-OE1 3.19Å; R426-E540 WeakPolarHBondContact CD-OE1 3.49Å; R426-E540 WeakPolarHBondContact CG-OE1 3.43Å; R426-E540 IonicContact CZ-OE1 2.71Å; R426-E540 PolarHBondContact N-OE1 2.86Å; R426-E540 IonicContact NH1-OE1 3.28Å; R426-E540 PolarHBondContact NH1-OE1 2.81Å; R426-E540 IonicContact NH1-OE2 2.96Å
427	I	93.6	Very high	93.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	157.5	-179.3	71.4	163.6	0	0	0	111.5	H425 L434 V436 V493 V531 L534	H425-I427 HydrophobicContact CB-CG2 4.13Å; I427-L434 HydrophobicContact CG1-CB 4.05Å; I427-L434 PolarHBondContact N-O 2.8Å; I427-L434 PolarHBondContact O-N 3.24Å; I427-V436 HydrophobicContact CD1-CB 4.43Å; I427-V436 HydrophobicContact CD1-CG2 3.48Å; I427-V436 VanDerWaalsContact CD1-CG2 3.48Å; I427-V436 HydrophobicContact CG1-CG2 3.77Å; I427-V493 HydrophobicContact CD1-CG1 4.39Å; I427-V531 HydrophobicContact CG2-CG1 4.23Å; I427-L534 CarbonylContact C-O 3.56Å; I427-L534 WeakPolarHBondContact CA-O 3.46Å; I427-L534 HydrophobicContact CB-CB 4.03Å; I427-L534 WeakPolarHBondContact CB-O 3.38Å; I427-L534 HydrophobicContact CD1-CB 4.49Å; I427-L534 HydrophobicContact CD1-CD1 4.43Å; I427-L534 HydrophobicContact CG2-CB 4.42Å
428	E	91.6	Very high	93.4	Very high	58 Å²	58	39.1 Å²	39.1	27%	0.271	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.4	171.3	-173.2	162.1	-133.7	0	0	109.8	G430 L432 K433 L534 H536	E428-G430 WeakPolarHBondContact CG-O 3.23Å; E428-L432 WeakPolarHBondContact CA-O 3.41Å; E428-K433 VanDerWaalsContact OE1-CE 3.26Å; E428-K433 WeakPolarHBondContact OE1-CE 3.26Å; E428-L534 PolarHBondContact N-O 3.28Å; E428-L534 WeakPolarHBondContact O-CD2 3.27Å; E428-H536 HydrophobicContact CB-CB 4.41Å; E428-H536 IonicContact OE2-CD2 3.92Å; E428-H536 PolarHBondContact OE2-CD2 3.48Å
429	L	88.5	Confident	93.4	Very high	29 Å²	29	36.4 Å²	36.4	15%	0.152	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	93.1	-179.7	-175.2	65.5	0	0	0	109.1	E431 L432 L434 V493 W524 L534	L429-E431 PolarHBondContact O-N 3.26Å; L429-L432 PolarHBondContact N-O 2.96Å; L429-L432 WeakPolarHBondContact O-CB 3.35Å; L429-L432 PolarHBondContact O-N 3.48Å; L429-L432 VanDerWaalsContact O-N 3.11Å; L429-L434 HydrophobicContact CB-CD1 4.38Å; L429-L434 HydrophobicContact CD2-CD1 4.31Å; L429-V493 HydrophobicContact CD2-CG2 4.27Å; L429-W524 HydrophobicContact CD1-CH2 4.19Å; L429-W524 HydrophobicContact CD2-CE3 3.94Å; L429-W524 HydrophobicContact CD2-CH2 3.63Å; L429-W524 HydrophobicContact CD2-CZ2 4.24Å; L429-W524 HydrophobicContact CD2-CZ3 3.45Å; L429-W524 VanDerWaalsContact CD2-CZ3 3.45Å; L429-W524 HydrophobicContact CG-CH2 4.11Å; L429-W524 HydrophobicContact CG-CZ3 4.28Å; L429-L534 HydrophobicContact CD1-CD1 3.98Å; L429-L534 HydrophobicContact CD1-CD2 4.48Å
430	G	85.9	Confident	93.4	Very high	68 Å²	68	34 Å²	34	70%	0.701	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	-119.9	-168.1	0	0	0	0	0	110	E428	E428-G430 WeakPolarHBondContact CG-O 3.23Å
431	E	85.9	Confident	93.4	Very high	193 Å²	193	33.9 Å²	33.9	90%	0.902	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.4	174.8	-60.8	-176.2	169.5	0	0	113.1	L429	L429-E431 PolarHBondContact O-N 3.26Å
432	L	88.6	Confident	93.3	Very high	85 Å²	85	34 Å²	34	45%	0.445	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.1	-176.4	-60.9	175.5	0	0	0	111	E428 L429 L434	E428-L432 WeakPolarHBondContact CA-O 3.41Å; L429-L432 PolarHBondContact N-O 2.96Å; L429-L432 WeakPolarHBondContact O-CB 3.35Å; L429-L432 PolarHBondContact O-N 3.48Å; L429-L432 VanDerWaalsContact O-N 3.11Å; L432-L434 HydrophobicContact CB-CD1 4.35Å; L432-L434 HydrophobicContact CB-CD2 4.33Å; L432-L434 HydrophobicContact CB-CG 4.14Å
433	K	91.8	Very high	93.2	Very high	143 Å²	143	38.6 Å²	38.6	62%	0.622	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.5	170.9	-61.7	-172	178.9	-163.4	0	109.5	E428	E428-K433 VanDerWaalsContact OE1-CE 3.26Å; E428-K433 WeakPolarHBondContact OE1-CE 3.26Å
434	L	91.8	Very high	93.2	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.8	-169.1	-57.4	176.5	0	0	0	111	R426 I427 L429 L432 V436 V493 T500	R426-L434 WeakPolarHBondContact CA-O 3.32Å; I427-L434 HydrophobicContact CG1-CB 4.05Å; I427-L434 PolarHBondContact N-O 2.8Å; I427-L434 PolarHBondContact O-N 3.24Å; L429-L434 HydrophobicContact CB-CD1 4.38Å; L429-L434 HydrophobicContact CD2-CD1 4.31Å; L432-L434 HydrophobicContact CB-CD1 4.35Å; L432-L434 HydrophobicContact CB-CD2 4.33Å; L432-L434 HydrophobicContact CB-CG 4.14Å; L434-V436 HydrophobicContact CB-CG2 4.48Å; L434-V493 HydrophobicContact CD1-CB 4.45Å; L434-T500 HydrophobicContact CD2-CG2 3.36Å
435	N	92.6	Very high	93.1	Very high	66 Å²	66	42.1 Å²	42.1	35%	0.353	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120	166.1	-70.2	-14	0	0	0	108.7	H425 R426 Y437	H425-N435 WeakPolarHBondContact O-CA 3.4Å; R426-N435 VanDerWaalsContact CG-OD1 3.23Å; R426-N435 WeakPolarHBondContact CG-OD1 3.44Å; N435-Y437 HydrophobicContact CB-CE2 4.49Å
436	V	94.4	Very high	93	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.2	-179.7	177.7	0	0	0	0	109.4	H425 I427 L434 F491 V493 V531	H425-V436 PolarHBondContact N-O 2.96Å; H425-V436 PolarHBondContact O-N 3.46Å; I427-V436 HydrophobicContact CD1-CB 4.43Å; I427-V436 HydrophobicContact CD1-CG2 3.48Å; I427-V436 VanDerWaalsContact CD1-CG2 3.48Å; I427-V436 HydrophobicContact CG1-CG2 3.77Å; L434-V436 HydrophobicContact CB-CG2 4.48Å; V436-F491 HydrophobicContact CG1-CB 4.24Å; V436-V493 HydrophobicContact CB-CG1 4.32Å; V436-V493 HydrophobicContact CG1-CG1 3.86Å; V436-V493 HydrophobicContact CG2-CB 3.86Å; V436-V493 HydrophobicContact CG2-CG1 3.44Å; V436-V493 VanDerWaalsContact CG2-CG1 3.44Å; V436-V531 HydrophobicContact CG1-CG2 4.24Å
437	Y	95.5	Very high	92.8	Very high	14 Å²	14	45.9 Å²	45.9	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.3	-179.4	-65.4	-85.6	0	0	0	110.3	D404 A407 Q423 N435 L503 V507	D404-Y437 PolarHBondContact OD2-OH 2.79Å; A407-Y437 HydrophobicContact CB-CE1 3.74Å; A407-Y437 HydrophobicContact CB-CE2 4.49Å; A407-Y437 WeakPolarHBondContact CB-OH 3.23Å; Q423-Y437 CarbonylContact O-C 3.56Å; Q423-Y437 VanDerWaalsContact O-CA 3.29Å; Q423-Y437 WeakPolarHBondContact O-CA 3.29Å; N435-Y437 HydrophobicContact CB-CE2 4.49Å; Y437-L503 HydrophobicContact CD1-CB 4.24Å; Y437-L503 HydrophobicContact CD1-CD1 3.94Å; Y437-L503 HydrophobicContact CD1-CG 4.43Å; Y437-L503 HydrophobicContact CD2-CB 3.95Å; Y437-L503 HydrophobicContact CE1-CD1 4.34Å; Y437-L503 HydrophobicContact CE2-CB 4.26Å; Y437-L503 HydrophobicContact CG-CB 3.94Å; Y437-L503 HydrophobicContact CG-CD1 4.33Å; Y437-L503 HydrophobicContact CG-CG 4.33Å; Y437-V507 VanDerWaalsContact O-CG1 3.23Å; Y437-V507 WeakPolarHBondContact O-CG1 3.38Å
438	T	96.1	Very high	92.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.3	174.5	63	0	0	0	0	110.3	I422 Q423 H425 F491 L528 V531	I422-T438 WeakPolarHBondContact CA-O 3.48Å; Q423-T438 PolarHBondContact N-O 3.48Å; Q423-T438 PolarHBondContact O-N 2.91Å; H425-T438 PolarHBondContact NE2-OG1 3.29Å; T438-F491 HydrophobicContact CG2-CB 4.49Å; T438-F491 HydrophobicContact CG2-CD1 3.93Å; T438-F491 HydrophobicContact CG2-CD2 3.91Å; T438-F491 HydrophobicContact CG2-CE1 4.13Å; T438-F491 HydrophobicContact CG2-CE2 4.12Å; T438-F491 HydrophobicContact CG2-CG 3.81Å; T438-F491 HydrophobicContact CG2-CZ 4.21Å; T438-L528 HydrophobicContact CG2-CD1 4.14Å; T438-V531 HydrophobicContact CG2-CG1 4.35Å; T438-V531 HydrophobicContact CG2-CG2 4.17Å
439	V	95.9	Very high	92.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132	175.6	-63.8	0	0	0	0	109.3	I421 I422 F457 L458 V507 L510 L511	I421-V439 VanDerWaalsContact O-CA 3.32Å; I421-V439 WeakPolarHBondContact O-CA 3.44Å; I422-V439 HydrophobicContact CG1-CG1 4.2Å; I422-V439 HydrophobicContact CG2-CG1 4.3Å; V439-F457 HydrophobicContact CG2-CZ 4.35Å; V439-F457 VanDerWaalsContact O-CE2 3.24Å; V439-F457 WeakPolarHBondContact O-CE2 3.23Å; V439-L458 HydrophobicContact CB-CD2 4.16Å; V439-L458 HydrophobicContact CG2-CD2 4.09Å; V439-V507 HydrophobicContact CG1-CB 3.88Å; V439-V507 HydrophobicContact CG1-CG2 3.66Å; V439-V507 HydrophobicContact CG2-CB 3.81Å; V439-V507 HydrophobicContact CG2-CG1 4.12Å; V439-L510 HydrophobicContact CG2-CD1 4.33Å; V439-L511 HydrophobicContact CB-CD2 4.3Å; V439-L511 HydrophobicContact CG1-CD1 3.88Å; V439-L511 HydrophobicContact CG1-CD2 4.41Å; V439-L511 HydrophobicContact CG1-CG 4.28Å
440	V	96.6	Very high	92.7	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158	174.3	-61.9	0	0	0	0	109.6	W101 I421 F457 L485	W101-V440 HydrophobicContact CH2-CG2 3.89Å; W101-V440 HydrophobicContact CZ3-CG2 3.76Å; I421-V440 HydrophobicContact CB-CG2 3.79Å; I421-V440 HydrophobicContact CD1-CG2 4.26Å; I421-V440 HydrophobicContact CG1-CG2 4.39Å; I421-V440 HydrophobicContact CG2-CG2 4.28Å; I421-V440 PolarHBondContact N-O 3.18Å; I421-V440 PolarHBondContact O-N 3.31Å; V440-F457 HydrophobicContact CG1-CE2 4.41Å; V440-L485 HydrophobicContact CG1-CD2 4.25Å
441	G	96.8	Very high	92.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	148.6	168.5	0	0	0	0	0	111.6	H443 D444 N459	G441-H443 PolarHBondContact O-N 2.84Å; G441-D444 WeakPolarHBondContact CA-OD2 3.37Å; G441-D444 PolarHBondContact N-OD2 3.27Å; G441-D444 PolarHBondContact O-N 3.43Å; G441-N459 VanDerWaalsContact C-OD1 3.28Å; G441-N459 WeakPolarHBondContact CA-OD1 3.38Å
442	T	95.3	Very high	92.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.3	177.8	62.2	0	0	0	0	112.6	K334 V337 G397 D419 I421 N459	K334-T442 VanDerWaalsContact CB-O 3.3Å; K334-T442 WeakPolarHBondContact CB-O 3.34Å; K334-T442 PolarHBondContact N-O 3.46Å; V337-T442 HydrophobicContact CG2-CG2 4.18Å; G397-T442 WeakPolarHBondContact O-CG2 3.42Å; D419-T442 HydrophobicContact CB-CG2 4.33Å; D419-T442 WeakPolarHBondContact CB-OG1 3.28Å; D419-T442 WeakPolarHBondContact O-CG2 3.36Å; D419-T442 PolarHBondContact O-N 3.11Å; D419-T442 PolarHBondContact O-OG1 3.45Å; I421-T442 HydrophobicContact CD1-CG2 4.02Å; I421-T442 HydrophobicContact CG1-CG2 3.72Å; T442-N459 PolarHBondContact N-OD1 3.02Å
443	H	95.1	Very high	92.6	Very high	98 Å²	98	46.2 Å²	46.2	45%	0.454	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.9	179.1	-58.2	-62.5	0	0	0	113.9	G441 D445 N459	G441-H443 PolarHBondContact O-N 2.84Å; H443-D445 PolarHBondContact O-N 3.47Å; H443-N459 WeakPolarHBondContact CB-OD1 3.22Å; H443-N459 PolarHBondContact CD2-OD1 3.22Å; H443-N459 PolarHBondContact N-OD1 3.19Å
444	D	95.5	Very high	92.2	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.032	25%	0.252	C	S	.	.			trans	-71.9	128.7	-178.6	-63.9	-23.9	0	0	0	111.5	G441 S456 F457 L458 N459 L485	G441-D444 WeakPolarHBondContact CA-OD2 3.37Å; G441-D444 PolarHBondContact N-OD2 3.27Å; G441-D444 PolarHBondContact O-N 3.43Å; D444-S456 WeakPolarHBondContact CA-OG 3.48Å; D444-S456 VanDerWaalsContact OD1-C 3.23Å; D444-S456 VanDerWaalsContact OD1-CB 3.29Å; D444-S456 WeakPolarHBondContact OD1-CB 3.42Å; D444-S456 PolarHBondContact OD1-OG 3.39Å; D444-F457 WeakPolarHBondContact OD1-CA 3.48Å; D444-F457 PolarHBondContact OD1-N 3.48Å; D444-F457 WeakPolarHBondContact OD2-CA 3.31Å; D444-L458 PolarHBondContact OD1-N 3.49Å; D444-L458 PolarHBondContact OD2-N 3.34Å; D444-N459 PolarHBondContact OD1-N 3.26Å; D444-L485 HydrophobicContact CB-CD2 3.73Å
445	D	93.1	Very high	92.2	Very high	75 Å²	75	42.4 Å²	42.4	40%	0.401	25%	0.254	S	S	.	.			trans	-84.4	117.8	168.8	-167.3	-47.5	0	0	0	109.9	H443 Q447 V448	H443-D445 PolarHBondContact O-N 3.47Å; D445-Q447 VanDerWaalsContact C-N 3.29Å; D445-Q447 PolarHBondContact O-N 2.94Å; D445-Q447 PolarHBondContact OD1-N 3.4Å; D445-V448 HydrophobicContact CB-CB 4.25Å; D445-V448 HydrophobicContact CB-CG2 3.98Å; D445-V448 PolarHBondContact OD1-N 3.33Å; D445-V448 WeakPolarHBondContact OD2-CG2 3.23Å
446	L	93.7	Very high	92.3	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	24%	0.241	C	C	.	.	S	Bend	trans	-69.4	-26.5	-175.2	-56.8	-175.4	0	0	0	113	P100 W101 L331 L485 L486 L528	P100-L446 HydrophobicContact CB-CD1 4.05Å; P100-L446 HydrophobicContact CG-CD1 3.67Å; W101-L446 HydrophobicContact CH2-CD1 4.07Å; W101-L446 HydrophobicContact CH2-CD2 4.3Å; W101-L446 HydrophobicContact CZ2-CD1 3.86Å; W101-L446 HydrophobicContact CZ2-CG 4.44Å; L331-L446 HydrophobicContact CB-CD1 4.5Å; L446-L485 HydrophobicContact CD2-CD2 3.78Å; L446-L485 HydrophobicContact CD2-CG 4.23Å; L446-L486 HydrophobicContact CB-CB 4.41Å; L446-L486 WeakPolarHBondContact O-CB 3.45Å; L446-L486 PolarHBondContact O-N 3.44Å; L446-L528 HydrophobicContact CD1-CD2 4.12Å; L446-L528 HydrophobicContact CD2-CD2 4.15Å
447	Q	91.1	Very high	92.3	Very high	105 Å²	105	39.9 Å²	39.9	49%	0.491	24%	0.241	S	C	.	.	S	Bend	trans	-106.9	-21.3	-166.3	-56.9	-166.4	-82	0	0	113.7	L331 D445 S484 L486	L331-Q447 HydrophobicContact CD1-CG 4.16Å; D445-Q447 VanDerWaalsContact C-N 3.29Å; D445-Q447 PolarHBondContact O-N 2.94Å; D445-Q447 PolarHBondContact OD1-N 3.4Å; Q447-S484 WeakPolarHBondContact O-CB 3.49Å; Q447-L486 HydrophobicContact CG-CD2 4.46Å
448	V	91	Very high	92.3	Very high	38 Å²	38	40 Å²	40	23%	0.23	24%	0.243	C	C	.	.	S	Bend	trans	-67.4	135.5	179.8	176.9	0	0	0	0	110.2	D445 A455 S484	D445-V448 HydrophobicContact CB-CB 4.25Å; D445-V448 HydrophobicContact CB-CG2 3.98Å; D445-V448 PolarHBondContact OD1-N 3.33Å; D445-V448 WeakPolarHBondContact OD2-CG2 3.23Å; V448-A455 HydrophobicContact CG1-CB 4.08Å; V448-S484 WeakPolarHBondContact O-CB 3.37Å
449	P	90.9	Very high	92.3	Very high	64 Å²	64	42.5 Å²	42.5	42%	0.416	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-56.8	146.2	173.2	-25.4	34.8	0	0	0	111.8	N451 G452 A455 C483	P449-N451 WeakPolarHBondContact CB-OD1 3.41Å; P449-N451 PolarHBondContact O-N 3.26Å; P449-G452 WeakPolarHBondContact O-CA 3.46Å; P449-G452 PolarHBondContact O-N 3.05Å; P449-A455 WeakPolarHBondContact O-CB 3.21Å; P449-C483 CarbonylContact C-O 3.54Å; P449-C483 WeakPolarHBondContact CA-O 3.39Å
450	F	90	Very high	92.2	Very high	59 Å²	59	45.5 Å²	45.5	26%	0.259	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.7	-173.5	82.1	-82.6	0	0	0	114.5	W462 F466 P473 W477 C483	F450-W462 HydrophobicContact CB-CB 4.42Å; F450-W462 HydrophobicContact CB-CD2 4Å; F450-W462 HydrophobicContact CB-CG 3.8Å; F450-W462 HydrophobicContact CD2-CB 4.4Å; F450-F466 AromaticContact CD2-CE2 3.98Å; F450-F466 HydrophobicContact CD2-CE2 3.98Å; F450-F466 HydrophobicContact CD2-CZ 4.45Å; F450-F466 HydrophobicContact CE2-CE2 4.27Å; F450-P473 HydrophobicContact CZ-CB 4.48Å; F450-W477 HydrophobicContact CB-CH2 3.71Å; F450-W477 HydrophobicContact CB-CZ2 4.1Å; F450-W477 AromaticContact CD1-CH2 3.98Å; F450-W477 HydrophobicContact CD1-CH2 3.98Å; F450-W477 HydrophobicContact CD1-CZ3 4.02Å; F450-W477 HydrophobicContact CD2-CH2 4.46Å; F450-W477 HydrophobicContact CE1-CZ3 4.38Å; F450-W477 AromaticContact CG-CH2 3.79Å; F450-W477 HydrophobicContact CG-CH2 3.79Å; F450-W477 HydrophobicContact CG-CZ3 4.13Å; F450-C483 HydrophobicContact CD1-CB 3.43Å; F450-C483 VanDerWaalsContact CD1-CB 3.43Å; F450-C483 WeakPolarHBondContact CD1-O 3.34Å; F450-C483 HydrophobicContact CE1-CB 3.72Å; F450-C483 PolarHBondContact N-O 3.47Å
451	N	88.1	Confident	92.1	Very high	128 Å²	128	49 Å²	49	68%	0.684	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.3	176.2	65.6	-3.7	0	0	0	113.6	P449	P449-N451 WeakPolarHBondContact CB-OD1 3.41Å; P449-N451 PolarHBondContact O-N 3.26Å
452	G	86.3	Confident	92	Very high	26 Å²	26	49.1 Å²	49.1	27%	0.268	29%	0.292	S	S	.	.	S	Bend	trans	-74.4	156.9	179	0	0	0	0	0	112.5	P449 G454 A455	P449-G452 WeakPolarHBondContact O-CA 3.46Å; P449-G452 PolarHBondContact O-N 3.05Å; G452-G454 PolarHBondContact O-N 2.75Å; G452-A455 WeakPolarHBondContact O-CB 3.44Å; G452-A455 PolarHBondContact O-N 3.46Å
453	S	83.9	Confident	91.9	Very high	129 Å²	129	54 Å²	54	90%	0.902	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	126.9	173.2	-170.5	0	0	0	0	109.9
454	G	81.6	Confident	91.8	Very high	62 Å²	62	53.1 Å²	53.1	64%	0.639	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	0.9	-179.4	0	0	0	0	0	115.5	G452 S456	G452-G454 PolarHBondContact O-N 2.75Å; G454-S456 PolarHBondContact O-N 2.7Å
455	A	91.8	Very high	91.8	Very high	9 Å²	9	53 Å²	53	7%	0.074	32%	0.322	C	S	.	.			trans	-71.7	124.4	175.9	0	0	0	0	0	111.8	V448 P449 G452	V448-A455 HydrophobicContact CG1-CB 4.08Å; P449-A455 WeakPolarHBondContact O-CB 3.21Å; G452-A455 WeakPolarHBondContact O-CB 3.44Å; G452-A455 PolarHBondContact O-N 3.46Å
456	S	94.8	Very high	91.8	Very high	13 Å²	13	50.6 Å²	50.6	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	162.9	179.5	60.4	0	0	0	0	111.8	D444 G454 Q460	D444-S456 WeakPolarHBondContact CA-OG 3.48Å; D444-S456 VanDerWaalsContact OD1-C 3.23Å; D444-S456 VanDerWaalsContact OD1-CB 3.29Å; D444-S456 WeakPolarHBondContact OD1-CB 3.42Å; D444-S456 PolarHBondContact OD1-OG 3.39Å; G454-S456 PolarHBondContact O-N 2.7Å; S456-Q460 CarbonylContact C-O 3.52Å; S456-Q460 WeakPolarHBondContact CA-O 3.5Å; S456-Q460 WeakPolarHBondContact CB-O 3.36Å
457	F	95.6	Very high	91.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.9	166.9	177.6	-123.2	0	0	0	108.5	V439 V440 D444 N459 Q460 W462 F465 L485 L490 L510	V439-F457 HydrophobicContact CG2-CZ 4.35Å; V439-F457 VanDerWaalsContact O-CE2 3.24Å; V439-F457 WeakPolarHBondContact O-CE2 3.23Å; V440-F457 HydrophobicContact CG1-CE2 4.41Å; D444-F457 WeakPolarHBondContact OD1-CA 3.48Å; D444-F457 PolarHBondContact OD1-N 3.48Å; D444-F457 WeakPolarHBondContact OD2-CA 3.31Å; F457-N459 VanDerWaalsContact C-N 3.27Å; F457-N459 PolarHBondContact O-N 3.13Å; F457-Q460 PolarHBondContact N-O 2.91Å; F457-Q460 WeakPolarHBondContact O-CG 3.46Å; F457-Q460 PolarHBondContact O-N 3.15Å; F457-W462 HydrophobicContact CB-CD2 4.35Å; F457-W462 HydrophobicContact CB-CE3 4.42Å; F457-W462 HydrophobicContact CB-CH2 4.06Å; F457-W462 HydrophobicContact CB-CZ2 3.93Å; F457-W462 HydrophobicContact CB-CZ3 4.29Å; F457-W462 HydrophobicContact CG-CH2 4.35Å; F457-F465 HydrophobicContact CD1-CD1 4.12Å; F457-F465 AromaticContact CD1-CD2 3.69Å; F457-F465 HydrophobicContact CD1-CD2 3.69Å; F457-F465 AromaticContact CD1-CE1 3.9Å; F457-F465 HydrophobicContact CD1-CE1 3.9Å; F457-F465 AromaticContact CD1-CE2 3.46Å; F457-F465 HydrophobicContact CD1-CE2 3.46Å; F457-F465 VanDerWaalsContact CD1-CE2 3.46Å; F457-F465 HydrophobicContact CD1-CG 4.01Å; F457-F465 AromaticContact CD1-CZ 3.56Å; F457-F465 HydrophobicContact CD1-CZ 3.56Å; F457-F465 HydrophobicContact CE1-CD2 4.21Å; F457-F465 HydrophobicContact CE1-CE1 4.23Å; F457-F465 AromaticContact CE1-CE2 3.51Å; F457-F465 HydrophobicContact CE1-CE2 3.51Å; F457-F465 AromaticContact CE1-CZ 3.52Å; F457-F465 HydrophobicContact CE1-CZ 3.52Å; F457-L485 HydrophobicContact CD2-CD1 3.44Å; F457-L485 VanDerWaalsContact CD2-CD1 3.44Å; F457-L485 HydrophobicContact CD2-CD2 4.11Å; F457-L485 HydrophobicContact CD2-CG 4.46Å; F457-L485 HydrophobicContact CE2-CD1 3.92Å; F457-L485 HydrophobicContact CG-CD1 4.2Å; F457-L490 HydrophobicContact CD1-CD1 4.44Å; F457-L490 HydrophobicContact CD2-CD1 4.07Å; F457-L490 HydrophobicContact CE1-CD1 4.13Å; F457-L490 HydrophobicContact CE1-CD2 4.16Å; F457-L490 HydrophobicContact CE2-CD1 3.71Å; F457-L490 HydrophobicContact CG-CD1 4.42Å; F457-L490 HydrophobicContact CZ-CD1 3.76Å; F457-L490 HydrophobicContact CZ-CD2 4.42Å; F457-L510 HydrophobicContact CE1-CD1 4.42Å; F457-L510 HydrophobicContact CZ-CD1 4.38Å
458	L	94.9	Very high	91.7	Very high	18 Å²	18	54.2 Å²	54.2	9%	0.094	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	39.3	-171.7	-57.5	173.5	0	0	0	112.6	I420 V439 D444 Q460 L510 L511	I420-L458 HydrophobicContact CD1-CB 4.49Å; I420-L458 HydrophobicContact CD1-CD2 4.21Å; V439-L458 HydrophobicContact CB-CD2 4.16Å; V439-L458 HydrophobicContact CG2-CD2 4.09Å; D444-L458 PolarHBondContact OD1-N 3.49Å; D444-L458 PolarHBondContact OD2-N 3.34Å; L458-Q460 PolarHBondContact O-N 2.72Å; L458-Q460 VanDerWaalsContact O-N 3.13Å; L458-L510 HydrophobicContact CD1-CB 4.24Å; L458-L511 HydrophobicContact CD1-CD2 4.36Å; L458-L511 HydrophobicContact CD2-CD2 4.01Å
459	N	95.2	Very high	91.7	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.283	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	13	-177.4	-54.2	-40.5	0	0	0	114.6	D419 G441 T442 H443 D444 F457	D419-N459 PolarHBondContact O-ND2 3.18Å; G441-N459 VanDerWaalsContact C-OD1 3.28Å; G441-N459 WeakPolarHBondContact CA-OD1 3.38Å; T442-N459 PolarHBondContact N-OD1 3.02Å; H443-N459 WeakPolarHBondContact CB-OD1 3.22Å; H443-N459 PolarHBondContact CD2-OD1 3.22Å; H443-N459 PolarHBondContact N-OD1 3.19Å; D444-N459 PolarHBondContact OD1-N 3.26Å; F457-N459 VanDerWaalsContact C-N 3.27Å; F457-N459 PolarHBondContact O-N 3.13Å
460	Q	94.5	Very high	91.8	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.1	174.7	54.9	177	83.7	0	0	111.3	S456 F457 L458 F465	S456-Q460 CarbonylContact C-O 3.52Å; S456-Q460 WeakPolarHBondContact CA-O 3.5Å; S456-Q460 WeakPolarHBondContact CB-O 3.36Å; F457-Q460 PolarHBondContact N-O 2.91Å; F457-Q460 WeakPolarHBondContact O-CG 3.46Å; F457-Q460 PolarHBondContact O-N 3.15Å; L458-Q460 PolarHBondContact O-N 2.72Å; L458-Q460 VanDerWaalsContact O-N 3.13Å; Q460-F465 HydrophobicContact CG-CB 4.38Å; Q460-F465 VanDerWaalsContact NE2-N 3.15Å
461	T	94.7	Very high	92	Very high	76 Å²	76	48.7 Å²	48.7	47%	0.466	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	146.9	176.7	66.4	0	0	0	0	111	T463 V464 F465	T461-T463 PolarHBondContact O-N 2.86Å; T461-V464 PolarHBondContact O-N 3.03Å; T461-V464 VanDerWaalsContact OG1-CG2 3.32Å; T461-V464 WeakPolarHBondContact OG1-CG2 3.44Å; T461-V464 PolarHBondContact OG1-N 3.3Å; T461-F465 PolarHBondContact O-N 2.78Å
462	W	94.4	Very high	92.2	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.019	31%	0.31	C	S	.	.	H	α-helix	trans	-54.5	-37.1	178	-78.6	101.2	0	0	0	113.2	F450 F457 V464 F465 F466 L476 W477 L485 A488 L490	F450-W462 HydrophobicContact CB-CB 4.42Å; F450-W462 HydrophobicContact CB-CD2 4Å; F450-W462 HydrophobicContact CB-CG 3.8Å; F450-W462 HydrophobicContact CD2-CB 4.4Å; F457-W462 HydrophobicContact CB-CD2 4.35Å; F457-W462 HydrophobicContact CB-CE3 4.42Å; F457-W462 HydrophobicContact CB-CH2 4.06Å; F457-W462 HydrophobicContact CB-CZ2 3.93Å; F457-W462 HydrophobicContact CB-CZ3 4.29Å; F457-W462 HydrophobicContact CG-CH2 4.35Å; W462-V464 PolarHBondContact O-N 2.79Å; W462-F465 AromaticContact CE3-CD1 3.96Å; W462-F465 HydrophobicContact CE3-CD1 3.96Å; W462-F465 HydrophobicContact CZ3-CD1 4.02Å; W462-F465 HydrophobicContact CZ3-CE1 4.21Å; W462-F465 WeakPolarHBondContact O-CB 3.24Å; W462-F465 PolarHBondContact O-N 2.91Å; W462-F466 HydrophobicContact CB-CD2 4.39Å; W462-F466 HydrophobicContact CB-CE2 3.88Å; W462-F466 HydrophobicContact CB-CZ 4.43Å; W462-F466 HydrophobicContact CD2-CZ 4.23Å; W462-F466 AromaticContact CE3-CE1 3.71Å; W462-F466 HydrophobicContact CE3-CE1 3.71Å; W462-F466 HydrophobicContact CE3-CE2 4Å; W462-F466 AromaticContact CE3-CZ 3.37Å; W462-F466 HydrophobicContact CE3-CZ 3.37Å; W462-F466 AromaticContact CZ3-CE1 3.99Å; W462-F466 HydrophobicContact CZ3-CE1 3.99Å; W462-F466 AromaticContact CZ3-CZ 3.94Å; W462-F466 HydrophobicContact CZ3-CZ 3.94Å; W462-F466 WeakPolarHBondContact O-CD2 3.26Å; W462-F466 VanDerWaalsContact O-CG 3.3Å; W462-F466 WeakPolarHBondContact O-CG 3.44Å; W462-F466 PolarHBondContact O-N 3.08Å; W462-L476 HydrophobicContact CH2-CD1 4.09Å; W462-L476 HydrophobicContact CZ3-CD1 3.56Å; W462-W477 HydrophobicContact CE3-CH2 4.35Å; W462-W477 HydrophobicContact CH2-CH2 4.15Å; W462-W477 HydrophobicContact CH2-CZ2 4.04Å; W462-W477 HydrophobicContact CZ2-CH2 4.48Å; W462-W477 HydrophobicContact CZ2-CZ2 4.23Å; W462-W477 HydrophobicContact CZ3-CH2 4.11Å; W462-W477 HydrophobicContact CZ3-CZ2 4.45Å; W462-L485 HydrophobicContact CH2-CD1 4.14Å; W462-L485 HydrophobicContact CZ2-CB 4.08Å; W462-L485 HydrophobicContact CZ2-CD1 3.93Å; W462-A488 HydrophobicContact CH2-CB 4.2Å; W462-L490 HydrophobicContact CH2-CD1 4.15Å
463	T	93.3	Very high	92.4	Very high	105 Å²	105	47.2 Å²	47.2	64%	0.644	31%	0.306	S	S	*	.	H	α-helix	trans	-59.6	-44	176.1	-52.2	0	0	0	0	112.6	T461 S467	T461-T463 PolarHBondContact O-N 2.86Å; T463-S467 WeakPolarHBondContact O-CB 3.26Å; T463-S467 PolarHBondContact O-N 3.19Å; T463-S467 PolarHBondContact O-OG 3.16Å
464	V	93.9	Very high	92.7	Very high	78 Å²	78	48.3 Å²	48.3	47%	0.473	30%	0.297	S	S	.	.	H	α-helix	trans	-67.4	-42.5	176.7	174.3	0	0	0	0	109.6	T461 W462 S467 S468	T461-V464 PolarHBondContact O-N 3.03Å; T461-V464 VanDerWaalsContact OG1-CG2 3.32Å; T461-V464 WeakPolarHBondContact OG1-CG2 3.44Å; T461-V464 PolarHBondContact OG1-N 3.3Å; W462-V464 PolarHBondContact O-N 2.79Å; V464-S467 PolarHBondContact O-N 3.17Å; V464-S468 WeakPolarHBondContact O-CB 3.21Å; V464-S468 PolarHBondContact O-N 3.44Å; V464-S468 PolarHBondContact O-OG 3.4Å; V464-S468 VanDerWaalsContact O-OG 3.1Å
465	F	94.1	Very high	93.3	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-47.9	178.3	178.5	-101.7	0	0	0	113.8	F457 Q460 T461 W462 S467 S468 S469 I471 L490 L510	F457-F465 HydrophobicContact CD1-CD1 4.12Å; F457-F465 AromaticContact CD1-CD2 3.69Å; F457-F465 HydrophobicContact CD1-CD2 3.69Å; F457-F465 AromaticContact CD1-CE1 3.9Å; F457-F465 HydrophobicContact CD1-CE1 3.9Å; F457-F465 AromaticContact CD1-CE2 3.46Å; F457-F465 HydrophobicContact CD1-CE2 3.46Å; F457-F465 VanDerWaalsContact CD1-CE2 3.46Å; F457-F465 HydrophobicContact CD1-CG 4.01Å; F457-F465 AromaticContact CD1-CZ 3.56Å; F457-F465 HydrophobicContact CD1-CZ 3.56Å; F457-F465 HydrophobicContact CE1-CD2 4.21Å; F457-F465 HydrophobicContact CE1-CE1 4.23Å; F457-F465 AromaticContact CE1-CE2 3.51Å; F457-F465 HydrophobicContact CE1-CE2 3.51Å; F457-F465 AromaticContact CE1-CZ 3.52Å; F457-F465 HydrophobicContact CE1-CZ 3.52Å; Q460-F465 HydrophobicContact CG-CB 4.38Å; Q460-F465 VanDerWaalsContact NE2-N 3.15Å; T461-F465 PolarHBondContact O-N 2.78Å; W462-F465 AromaticContact CE3-CD1 3.96Å; W462-F465 HydrophobicContact CE3-CD1 3.96Å; W462-F465 HydrophobicContact CZ3-CD1 4.02Å; W462-F465 HydrophobicContact CZ3-CE1 4.21Å; W462-F465 WeakPolarHBondContact O-CB 3.24Å; W462-F465 PolarHBondContact O-N 2.91Å; F465-S467 VanDerWaalsContact C-N 3.29Å; F465-S467 PolarHBondContact O-N 2.92Å; F465-S468 PolarHBondContact O-N 3.26Å; F465-S468 PolarHBondContact O-OG 2.9Å; F465-S469 VanDerWaalsContact O-CB 3.24Å; F465-S469 WeakPolarHBondContact O-CB 3.38Å; F465-S469 PolarHBondContact O-N 3.48Å; F465-S469 PolarHBondContact O-OG 3.28Å; F465-I471 HydrophobicContact CE1-CD1 3.92Å; F465-I471 HydrophobicContact CZ-CD1 3.78Å; F465-L490 HydrophobicContact CE1-CD2 4.38Å; F465-L490 HydrophobicContact CZ-CD2 4.42Å; F465-L510 HydrophobicContact CE2-CD2 4.2Å; F465-L510 HydrophobicContact CZ-CD2 4.05Å
466	F	94.8	Very high	93.4	Very high	24 Å²	24	47.4 Å²	47.4	11%	0.105	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-40.5	177	-64	-44	0	0	0	111.6	F450 W462 G470 I471 P473 L476 W477	F450-F466 AromaticContact CD2-CE2 3.98Å; F450-F466 HydrophobicContact CD2-CE2 3.98Å; F450-F466 HydrophobicContact CD2-CZ 4.45Å; F450-F466 HydrophobicContact CE2-CE2 4.27Å; W462-F466 HydrophobicContact CB-CD2 4.39Å; W462-F466 HydrophobicContact CB-CE2 3.88Å; W462-F466 HydrophobicContact CB-CZ 4.43Å; W462-F466 HydrophobicContact CD2-CZ 4.23Å; W462-F466 AromaticContact CE3-CE1 3.71Å; W462-F466 HydrophobicContact CE3-CE1 3.71Å; W462-F466 HydrophobicContact CE3-CE2 4Å; W462-F466 AromaticContact CE3-CZ 3.37Å; W462-F466 HydrophobicContact CE3-CZ 3.37Å; W462-F466 AromaticContact CZ3-CE1 3.99Å; W462-F466 HydrophobicContact CZ3-CE1 3.99Å; W462-F466 AromaticContact CZ3-CZ 3.94Å; W462-F466 HydrophobicContact CZ3-CZ 3.94Å; W462-F466 WeakPolarHBondContact O-CD2 3.26Å; W462-F466 VanDerWaalsContact O-CG 3.3Å; W462-F466 WeakPolarHBondContact O-CG 3.44Å; W462-F466 PolarHBondContact O-N 3.08Å; F466-G470 WeakPolarHBondContact O-CA 3.45Å; F466-G470 PolarHBondContact O-N 2.88Å; F466-I471 WeakPolarHBondContact CB-O 3.46Å; F466-I471 HydrophobicContact CD1-CB 4.42Å; F466-I471 HydrophobicContact CD1-CG2 4.42Å; F466-I471 WeakPolarHBondContact CD1-O 3.37Å; F466-I471 HydrophobicContact CE1-CG2 4.46Å; F466-P473 HydrophobicContact CD2-CG 4.14Å; F466-P473 HydrophobicContact CE1-CG 4.46Å; F466-P473 HydrophobicContact CE2-CB 4.49Å; F466-P473 HydrophobicContact CE2-CG 3.78Å; F466-P473 HydrophobicContact CZ-CB 4.27Å; F466-P473 HydrophobicContact CZ-CG 3.95Å; F466-L476 HydrophobicContact CE1-CD1 3.72Å; F466-L476 HydrophobicContact CZ-CD1 4.2Å; F466-W477 HydrophobicContact CZ-CH2 4.09Å; F466-W477 HydrophobicContact CZ-CZ3 4.16Å
467	S	92.9	Very high	93.3	Very high	98 Å²	98	47.9 Å²	47.9	69%	0.685	27%	0.274	S	S	*	.	H	α-helix	trans	-67	-38.7	-179.9	-56.8	0	0	0	0	112.4	T463 V464 F465	T463-S467 WeakPolarHBondContact O-CB 3.26Å; T463-S467 PolarHBondContact O-N 3.19Å; T463-S467 PolarHBondContact O-OG 3.16Å; V464-S467 PolarHBondContact O-N 3.17Å; F465-S467 VanDerWaalsContact C-N 3.29Å; F465-S467 PolarHBondContact O-N 2.92Å
468	S	89.8	Confident	92.8	Very high	86 Å²	86	50.9 Å²	50.9	60%	0.601	29%	0.292	S	S	*	.	H	α-helix	trans	-81.5	-33.5	-179.2	64.1	0	0	0	0	113.5	V464 F465	V464-S468 WeakPolarHBondContact O-CB 3.21Å; V464-S468 PolarHBondContact O-N 3.44Å; V464-S468 PolarHBondContact O-OG 3.4Å; V464-S468 VanDerWaalsContact O-OG 3.1Å; F465-S468 PolarHBondContact O-N 3.26Å; F465-S468 PolarHBondContact O-OG 2.9Å
469	S	90.9	Very high	92.1	Very high	17 Å²	17	60.2 Å²	60.2	12%	0.119	33%	0.332	C	S	.	.	H	α-helix	trans	-90.1	-25.2	-177.2	65.3	0	0	0	0	113.9	F465 I471	F465-S469 VanDerWaalsContact O-CB 3.24Å; F465-S469 WeakPolarHBondContact O-CB 3.38Å; F465-S469 PolarHBondContact O-N 3.48Å; F465-S469 PolarHBondContact O-OG 3.28Å; S469-I471 PolarHBondContact O-N 2.85Å; S469-I471 WeakPolarHBondContact OG-CB 3.3Å; S469-I471 WeakPolarHBondContact OG-CG1 3.43Å; S469-I471 PolarHBondContact OG-N 3.37Å
470	G	92.3	Very high	91.2	Very high	28 Å²	28	61.9 Å²	61.9	29%	0.289	36%	0.362	S	S	.	.			trans	76.8	3.5	-171.1	0	0	0	0	0	114.7	F466 Q472 R521	F466-G470 WeakPolarHBondContact O-CA 3.45Å; F466-G470 PolarHBondContact O-N 2.88Å; G470-Q472 PolarHBondContact O-NE2 3.26Å; G470-R521 PolarHBondContact O-NH2 2.88Å
471	I	93.7	Very high	90.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.365	C	S	.	.			trans	-71.6	137	175.4	-63.2	168.8	0	0	0	109.4	F465 F466 S469 L476 W509 L510 L517 W520	F465-I471 HydrophobicContact CE1-CD1 3.92Å; F465-I471 HydrophobicContact CZ-CD1 3.78Å; F466-I471 WeakPolarHBondContact CB-O 3.46Å; F466-I471 HydrophobicContact CD1-CB 4.42Å; F466-I471 HydrophobicContact CD1-CG2 4.42Å; F466-I471 WeakPolarHBondContact CD1-O 3.37Å; F466-I471 HydrophobicContact CE1-CG2 4.46Å; S469-I471 PolarHBondContact O-N 2.85Å; S469-I471 WeakPolarHBondContact OG-CB 3.3Å; S469-I471 WeakPolarHBondContact OG-CG1 3.43Å; S469-I471 PolarHBondContact OG-N 3.37Å; I471-L476 HydrophobicContact CG2-CD1 4.32Å; I471-L476 HydrophobicContact CG2-CD2 3.98Å; I471-L476 HydrophobicContact CG2-CG 4.05Å; I471-W509 HydrophobicContact CD1-CH2 4.04Å; I471-W509 HydrophobicContact CD1-CZ2 4.17Å; I471-W509 HydrophobicContact CG1-CH2 4.41Å; I471-L510 HydrophobicContact CD1-CD2 4.35Å; I471-L517 HydrophobicContact CD1-CD1 4.47Å; I471-L517 HydrophobicContact CG1-CD1 3.54Å; I471-W520 HydrophobicContact CD1-CE3 4.32Å; I471-W520 HydrophobicContact CD1-CH2 3.69Å; I471-W520 HydrophobicContact CD1-CZ2 3.91Å; I471-W520 HydrophobicContact CD1-CZ3 3.94Å; I471-W520 HydrophobicContact CG1-CE3 4.31Å; I471-W520 HydrophobicContact CG1-CH2 3.99Å; I471-W520 HydrophobicContact CG1-CZ3 3.82Å; I471-W520 HydrophobicContact CG2-CH2 3.93Å; I471-W520 HydrophobicContact CG2-CZ3 4.19Å
472	Q	92.3	Very high	89.9	Confident	95 Å²	95	65.5 Å²	65.5	44%	0.444	37%	0.374	S	S	.	.			trans	-97.4	147.5	173.8	-54.8	-55.7	-55.5	0	0	111.8	G470 E474 E475	G470-Q472 PolarHBondContact O-NE2 3.26Å; Q472-E474 WeakPolarHBondContact CB-OE2 3.26Å; Q472-E474 PolarHBondContact O-N 2.9Å; Q472-E475 HydrophobicContact CB-CG 4.16Å; Q472-E475 PolarHBondContact N-OE2 3.4Å; Q472-E475 WeakPolarHBondContact O-CB 3.24Å; Q472-E475 PolarHBondContact O-N 3.24Å
473	P	91.2	Very high	89.7	Confident	28 Å²	28	67.5 Å²	67.5	18%	0.182	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-53.3	-38.8	178.9	-27.1	34.8	0	0	0	113.9	F450 F466 E475 L476 W477	F450-P473 HydrophobicContact CZ-CB 4.48Å; F466-P473 HydrophobicContact CD2-CG 4.14Å; F466-P473 HydrophobicContact CE1-CG 4.46Å; F466-P473 HydrophobicContact CE2-CB 4.49Å; F466-P473 HydrophobicContact CE2-CG 3.78Å; F466-P473 HydrophobicContact CZ-CB 4.27Å; F466-P473 HydrophobicContact CZ-CG 3.95Å; P473-E475 PolarHBondContact O-N 2.88Å; P473-E475 VanDerWaalsContact O-N 3.12Å; P473-L476 PolarHBondContact O-N 3.48Å; P473-L476 VanDerWaalsContact O-N 3.11Å; P473-W477 HydrophobicContact CB-CZ3 4.02Å
474	E	91	Very high	89.8	Confident	151 Å²	151	62.6 Å²	62.6	71%	0.706	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-67.7	-13.4	-177.6	-56.4	73.3	-158.3	0	0	112.9	Q472	Q472-E474 WeakPolarHBondContact CB-OE2 3.26Å; Q472-E474 PolarHBondContact O-N 2.9Å
475	E	92.9	Very high	89.8	Confident	49 Å²	49	58.9 Å²	58.9	23%	0.229	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-84.9	-10	176.9	-57.4	-177	74.6	0	0	113.3	Q472 P473 R521 R525	Q472-E475 HydrophobicContact CB-CG 4.16Å; Q472-E475 PolarHBondContact N-OE2 3.4Å; Q472-E475 WeakPolarHBondContact O-CB 3.24Å; Q472-E475 PolarHBondContact O-N 3.24Å; P473-E475 PolarHBondContact O-N 2.88Å; P473-E475 VanDerWaalsContact O-N 3.12Å; E475-R521 WeakPolarHBondContact OE1-CG 3.28Å; E475-R521 IonicContact OE1-CZ 2.74Å; E475-R521 IonicContact OE1-NE 3.71Å; E475-R521 PolarHBondContact OE1-NE 3.32Å; E475-R521 IonicContact OE1-NH2 3.22Å; E475-R521 IonicContact OE2-CZ 3.68Å; E475-R521 IonicContact OE2-NE 3.81Å; E475-R521 IonicContact OE2-NH2 3.8Å; E475-R521 PolarHBondContact OE2-NH2 2.86Å; E475-R525 PolarHBondContact O-NH1 3.38Å; E475-R525 PolarHBondContact O-NH2 3.27Å
476	L	93.6	Very high	89.8	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.016	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-34.2	-172.7	-64.5	-173.9	0	0	0	114.2	W462 F466 I471 P473 A488 R489 L490 W520	W462-L476 HydrophobicContact CH2-CD1 4.09Å; W462-L476 HydrophobicContact CZ3-CD1 3.56Å; F466-L476 HydrophobicContact CE1-CD1 3.72Å; F466-L476 HydrophobicContact CZ-CD1 4.2Å; I471-L476 HydrophobicContact CG2-CD1 4.32Å; I471-L476 HydrophobicContact CG2-CD2 3.98Å; I471-L476 HydrophobicContact CG2-CG 4.05Å; P473-L476 PolarHBondContact O-N 3.48Å; P473-L476 VanDerWaalsContact O-N 3.11Å; L476-A488 HydrophobicContact CB-CB 4.39Å; L476-R489 WeakPolarHBondContact O-CB 3.45Å; L476-R489 PolarHBondContact O-N 3.28Å; L476-L490 HydrophobicContact CD1-CD2 4.12Å; L476-L490 HydrophobicContact CD2-CD2 3.66Å; L476-L490 HydrophobicContact CD2-CG 4.22Å; L476-W520 HydrophobicContact CD2-CH2 3.75Å; L476-W520 HydrophobicContact CD2-CZ2 4.14Å
477	W	93.8	Very high	89.7	Confident	23 Å²	23	59.6 Å²	59.6	9%	0.087	34%	0.339	C	S	.	.	S	Bend	trans	-124.1	146.3	-172.4	-59.9	-77	0	0	0	112.2	F450 W462 F466 P473 C483 S484 A488	F450-W477 HydrophobicContact CB-CH2 3.71Å; F450-W477 HydrophobicContact CB-CZ2 4.1Å; F450-W477 AromaticContact CD1-CH2 3.98Å; F450-W477 HydrophobicContact CD1-CH2 3.98Å; F450-W477 HydrophobicContact CD1-CZ3 4.02Å; F450-W477 HydrophobicContact CD2-CH2 4.46Å; F450-W477 HydrophobicContact CE1-CZ3 4.38Å; F450-W477 AromaticContact CG-CH2 3.79Å; F450-W477 HydrophobicContact CG-CH2 3.79Å; F450-W477 HydrophobicContact CG-CZ3 4.13Å; W462-W477 HydrophobicContact CE3-CH2 4.35Å; W462-W477 HydrophobicContact CH2-CH2 4.15Å; W462-W477 HydrophobicContact CH2-CZ2 4.04Å; W462-W477 HydrophobicContact CZ2-CH2 4.48Å; W462-W477 HydrophobicContact CZ2-CZ2 4.23Å; W462-W477 HydrophobicContact CZ3-CH2 4.11Å; W462-W477 HydrophobicContact CZ3-CZ2 4.45Å; F466-W477 HydrophobicContact CZ-CH2 4.09Å; F466-W477 HydrophobicContact CZ-CZ3 4.16Å; P473-W477 HydrophobicContact CB-CZ3 4.02Å; W477-C483 HydrophobicContact CD2-CB 3.87Å; W477-C483 HydrophobicContact CE3-CB 4.14Å; W477-C483 HydrophobicContact CG-CB 4.15Å; W477-S484 PolarHBondContact NE1-O 2.95Å; W477-A488 HydrophobicContact CZ2-CB 3.8Å
478	V	85.9	Confident	89.9	Confident	63 Å²	63	54.9 Å²	54.9	38%	0.382	31%	0.306	S	S	.	.			trans	-78	147.6	170.5	-171.2	0	0	0	0	109.7	G480 E481	V478-G480 PolarHBondContact O-N 3.42Å; V478-G480 VanDerWaalsContact O-N 3.17Å; V478-E481 HydrophobicContact CB-CG 4.14Å; V478-E481 WeakPolarHBondContact CB-OE2 3.49Å; V478-E481 WeakPolarHBondContact CG2-OE2 3.49Å; V478-E481 PolarHBondContact N-OE2 3.45Å; V478-E481 VanDerWaalsContact N-OE2 3.09Å; V478-E481 PolarHBondContact O-N 2.83Å; V478-E481 VanDerWaalsContact O-N 3.16Å
479	K	79.9	Confident	90.1	Very high	214 Å²	214	54.2 Å²	54.2	93%	0.93	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	122.2	173.6	-74.8	-173.5	177.1	-178.7	0	110.7
480	G	75.8	Confident	90.3	Very high	88 Å²	88	53.4 Å²	53.4	91%	0.907	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.7	-8.1	178	0	0	0	0	0	114.8	V478	V478-G480 PolarHBondContact O-N 3.42Å; V478-G480 VanDerWaalsContact O-N 3.17Å
481	E	80.3	Confident	90.5	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.35	27%	0.271	S	S	.	.	S	Bend	trans	-82	161.5	173.5	-70.7	174	171.5	0	0	112	V478 C483	V478-E481 HydrophobicContact CB-CG 4.14Å; V478-E481 WeakPolarHBondContact CB-OE2 3.49Å; V478-E481 WeakPolarHBondContact CG2-OE2 3.49Å; V478-E481 PolarHBondContact N-OE2 3.45Å; V478-E481 VanDerWaalsContact N-OE2 3.09Å; V478-E481 PolarHBondContact O-N 2.83Å; V478-E481 VanDerWaalsContact O-N 3.16Å; E481-C483 PolarHBondContact O-N 3.3Å
482	Q	81.4	Confident	90.5	Very high	141 Å²	141	52.2 Å²	52.2	66%	0.659	27%	0.272	S	S	*	.			trans	-68.3	124.9	168.7	-71.9	-168.3	-14.2	0	0	109.4	S484 E487	Q482-S484 PolarHBondContact O-N 3.4Å; Q482-E487 WeakPolarHBondContact O-CB 3.41Å
483	C	91.2	Very high	90.5	Very high	46 Å²	46	47.8 Å²	47.8	31%	0.311	25%	0.251	S	S	.	.			trans	-81.1	58.3	179.6	-52.2	0	0	0	0	111.9	P449 F450 W477 E481	P449-C483 CarbonylContact C-O 3.54Å; P449-C483 WeakPolarHBondContact CA-O 3.39Å; F450-C483 HydrophobicContact CD1-CB 3.43Å; F450-C483 VanDerWaalsContact CD1-CB 3.43Å; F450-C483 WeakPolarHBondContact CD1-O 3.34Å; F450-C483 HydrophobicContact CE1-CB 3.72Å; F450-C483 PolarHBondContact N-O 3.47Å; W477-C483 HydrophobicContact CD2-CB 3.87Å; W477-C483 HydrophobicContact CE3-CB 4.14Å; W477-C483 HydrophobicContact CG-CB 4.15Å; E481-C483 PolarHBondContact O-N 3.3Å
484	S	93.9	Very high	90.5	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.014	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-106.1	168.8	178.1	66.1	0	0	0	0	111.7	Q447 V448 W477 Q482 L486 E487 A488	Q447-S484 WeakPolarHBondContact O-CB 3.49Å; V448-S484 WeakPolarHBondContact O-CB 3.37Å; W477-S484 PolarHBondContact NE1-O 2.95Å; Q482-S484 PolarHBondContact O-N 3.4Å; S484-L486 VanDerWaalsContact C-N 3.27Å; S484-L486 PolarHBondContact O-N 3.18Å; S484-E487 PolarHBondContact O-N 2.94Å; S484-A488 PolarHBondContact O-N 3.35Å; S484-A488 VanDerWaalsContact O-N 3.13Å
485	L	94.7	Very high	90.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-36.4	177.4	176.1	56.5	0	0	0	112.2	V440 D444 L446 F457 W462 E487 A488 L490	V440-L485 HydrophobicContact CG1-CD2 4.25Å; D444-L485 HydrophobicContact CB-CD2 3.73Å; L446-L485 HydrophobicContact CD2-CD2 3.78Å; L446-L485 HydrophobicContact CD2-CG 4.23Å; F457-L485 HydrophobicContact CD2-CD1 3.44Å; F457-L485 VanDerWaalsContact CD2-CD1 3.44Å; F457-L485 HydrophobicContact CD2-CD2 4.11Å; F457-L485 HydrophobicContact CD2-CG 4.46Å; F457-L485 HydrophobicContact CE2-CD1 3.92Å; F457-L485 HydrophobicContact CG-CD1 4.2Å; W462-L485 HydrophobicContact CH2-CD1 4.14Å; W462-L485 HydrophobicContact CZ2-CB 4.08Å; W462-L485 HydrophobicContact CZ2-CD1 3.93Å; L485-E487 PolarHBondContact O-N 2.86Å; L485-A488 PolarHBondContact O-N 2.91Å; L485-L490 HydrophobicContact CD1-CD1 3.47Å; L485-L490 VanDerWaalsContact CD1-CD1 3.47Å
486	L	93.1	Very high	90	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.9	179.7	-170.7	52.6	0	0	0	113	L446 Q447 S484 S527 L528 R529	L446-L486 HydrophobicContact CB-CB 4.41Å; L446-L486 WeakPolarHBondContact O-CB 3.45Å; L446-L486 PolarHBondContact O-N 3.44Å; Q447-L486 HydrophobicContact CG-CD2 4.46Å; S484-L486 VanDerWaalsContact C-N 3.27Å; S484-L486 PolarHBondContact O-N 3.18Å; L486-S527 WeakPolarHBondContact O-CB 3.48Å; L486-L528 HydrophobicContact CD1-CB 4.01Å; L486-L528 HydrophobicContact CD1-CD2 3.99Å; L486-L528 HydrophobicContact CD1-CG 3.94Å; L486-L528 PolarHBondContact O-N 3.24Å; L486-R529 HydrophobicContact CD1-CB 4.39Å; L486-R529 HydrophobicContact CG-CB 4.27Å; L486-R529 WeakPolarHBondContact O-CB 3.46Å; L486-R529 PolarHBondContact O-N 3.37Å
487	E	94.4	Very high	89.4	Confident	38 Å²	38	56.1 Å²	56.1	18%	0.178	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-4.6	-179.1	-54.4	-55.4	153.9	0	0	113.1	Q482 S484 L485 R489 S527 R529	Q482-E487 WeakPolarHBondContact O-CB 3.41Å; S484-E487 PolarHBondContact O-N 2.94Å; L485-E487 PolarHBondContact O-N 2.86Å; E487-R489 PolarHBondContact O-N 2.98Å; E487-S527 VanDerWaalsContact C-CB 3.45Å; E487-S527 WeakPolarHBondContact O-CB 3.44Å; E487-R529 IonicContact OE1-CZ 3.06Å; E487-R529 IonicContact OE1-NE 3.26Å; E487-R529 PolarHBondContact OE1-NE 2.92Å; E487-R529 VanDerWaalsContact OE1-NE 3.12Å; E487-R529 IonicContact OE1-NH2 3Å; E487-R529 WeakPolarHBondContact OE2-CB 3.39Å
488	A	95.3	Very high	88.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.312	C	S	.	.			trans	-73.5	122.9	-178.7	0	0	0	0	0	111.9	W462 L476 W477 S484 L485 L490 S527	W462-A488 HydrophobicContact CH2-CB 4.2Å; L476-A488 HydrophobicContact CB-CB 4.39Å; W477-A488 HydrophobicContact CZ2-CB 3.8Å; S484-A488 PolarHBondContact O-N 3.35Å; S484-A488 VanDerWaalsContact O-N 3.13Å; L485-A488 PolarHBondContact O-N 2.91Å; A488-L490 VanDerWaalsContact C-N 3.26Å; A488-L490 HydrophobicContact CB-CD1 3.88Å; A488-L490 HydrophobicContact CB-CG 3.95Å; A488-L490 PolarHBondContact O-N 3.36Å; A488-S527 VanDerWaalsContact O-CA 3.29Å; A488-S527 WeakPolarHBondContact O-CA 3.35Å
489	R	95.5	Very high	88.7	Confident	72 Å²	72	56.4 Å²	56.4	27%	0.272	31%	0.311	S	S	.	.			trans	-76.2	72.9	177.1	-67.5	-167.7	175.5	122.9	9.8	112.8	L476 E487 R525 V526 E530	L476-R489 WeakPolarHBondContact O-CB 3.45Å; L476-R489 PolarHBondContact O-N 3.28Å; E487-R489 PolarHBondContact O-N 2.98Å; R489-R525 HydrophobicContact CB-CB 4.22Å; R489-R525 PolarHBondContact O-NH1 3.1Å; R489-V526 WeakPolarHBondContact CA-O 3.34Å; R489-E530 IonicContact CZ-OE1 3.92Å; R489-E530 IonicContact NE-OE1 3.55Å; R489-E530 PolarHBondContact NE-OE1 3.24Å; R489-E530 IonicContact NE-OE2 3.6Å; R489-E530 PolarHBondContact NE-OE2 3.02Å; R489-E530 IonicContact NH2-OE1 3.59Å; R489-E530 PolarHBondContact NH2-OE1 2.9Å
490	L	94.9	Very high	89	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.295	C	S	.	.			trans	-92.9	-28.1	-175.9	-72.4	164.5	0	0	0	113.7	F457 W462 F465 L476 L485 A488 P492 W520 V526	F457-L490 HydrophobicContact CD1-CD1 4.44Å; F457-L490 HydrophobicContact CD2-CD1 4.07Å; F457-L490 HydrophobicContact CE1-CD1 4.13Å; F457-L490 HydrophobicContact CE1-CD2 4.16Å; F457-L490 HydrophobicContact CE2-CD1 3.71Å; F457-L490 HydrophobicContact CG-CD1 4.42Å; F457-L490 HydrophobicContact CZ-CD1 3.76Å; F457-L490 HydrophobicContact CZ-CD2 4.42Å; W462-L490 HydrophobicContact CH2-CD1 4.15Å; F465-L490 HydrophobicContact CE1-CD2 4.38Å; F465-L490 HydrophobicContact CZ-CD2 4.42Å; L476-L490 HydrophobicContact CD1-CD2 4.12Å; L476-L490 HydrophobicContact CD2-CD2 3.66Å; L476-L490 HydrophobicContact CD2-CG 4.22Å; L485-L490 HydrophobicContact CD1-CD1 3.47Å; L485-L490 VanDerWaalsContact CD1-CD1 3.47Å; A488-L490 VanDerWaalsContact C-N 3.26Å; A488-L490 HydrophobicContact CB-CD1 3.88Å; A488-L490 HydrophobicContact CB-CG 3.95Å; A488-L490 PolarHBondContact O-N 3.36Å; L490-P492 VanDerWaalsContact O-CD 3.29Å; L490-P492 WeakPolarHBondContact O-CD 3.48Å; L490-W520 HydrophobicContact CD2-CZ2 4.49Å; L490-W520 PolarHBondContact O-NE1 3.31Å; L490-V526 PolarHBondContact N-O 3.4Å
491	F	95.3	Very high	89.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109.9	-161.2	-51.5	-63.3	0	0	0	111.4	V436 T438 V507 R525 V526 L528	V436-F491 HydrophobicContact CG1-CB 4.24Å; T438-F491 HydrophobicContact CG2-CB 4.49Å; T438-F491 HydrophobicContact CG2-CD1 3.93Å; T438-F491 HydrophobicContact CG2-CD2 3.91Å; T438-F491 HydrophobicContact CG2-CE1 4.13Å; T438-F491 HydrophobicContact CG2-CE2 4.12Å; T438-F491 HydrophobicContact CG2-CG 3.81Å; T438-F491 HydrophobicContact CG2-CZ 4.21Å; F491-V507 HydrophobicContact CD1-CG1 3.94Å; F491-R525 CarbonylContact O-C 3.59Å; F491-R525 VanDerWaalsContact O-CA 3.25Å; F491-R525 WeakPolarHBondContact O-CA 3.33Å; F491-V526 HydrophobicContact CB-CG2 4.28Å; F491-V526 WeakPolarHBondContact CD2-O 3.27Å; F491-V526 PolarHBondContact N-O 3.41Å; F491-V526 VanDerWaalsContact N-O 3.11Å; F491-V526 PolarHBondContact O-N 2.93Å; F491-L528 HydrophobicContact CE2-CB 3.86Å
492	P	94.3	Very high	89.9	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.7	178.8	-22.1	37.8	0	0	0	111.8	L490 V501 W520 A523 W524 R525	L490-P492 VanDerWaalsContact O-CD 3.29Å; L490-P492 WeakPolarHBondContact O-CD 3.48Å; P492-V501 HydrophobicContact CB-CB 4.26Å; P492-V501 HydrophobicContact CB-CG1 3.96Å; P492-V501 HydrophobicContact CB-CG2 4.38Å; P492-W520 VanDerWaalsContact CG-CD1 3.46Å; P492-W520 HydrophobicContact CG-CG 4.5Å; P492-A523 HydrophobicContact CB-CB 3.84Å; P492-W524 CarbonylContact C-O 3.56Å; P492-W524 WeakPolarHBondContact CA-O 3.45Å; P492-R525 HydrophobicContact CB-CG 4.4Å; P492-R525 HydrophobicContact CG-CG 4.2Å
493	V	92.3	Very high	90.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-36.8	-179.8	-53.5	0	0	0	0	112.5	I427 L429 L434 V436 V501 W524 V526	I427-V493 HydrophobicContact CD1-CG1 4.39Å; L429-V493 HydrophobicContact CD2-CG2 4.27Å; L434-V493 HydrophobicContact CD1-CB 4.45Å; V436-V493 HydrophobicContact CB-CG1 4.32Å; V436-V493 HydrophobicContact CG1-CG1 3.86Å; V436-V493 HydrophobicContact CG2-CB 3.86Å; V436-V493 HydrophobicContact CG2-CG1 3.44Å; V436-V493 VanDerWaalsContact CG2-CG1 3.44Å; V493-V501 PolarHBondContact O-N 3.07Å; V493-W524 HydrophobicContact CG2-CB 4.28Å; V493-W524 HydrophobicContact CG2-CD2 4.43Å; V493-W524 HydrophobicContact CG2-CG 4.31Å; V493-W524 WeakPolarHBondContact CG2-O 3.37Å; V493-W524 PolarHBondContact N-O 3Å; V493-V526 HydrophobicContact CG1-CB 4.2Å; V493-V526 HydrophobicContact CG1-CG1 3.8Å; V493-V526 HydrophobicContact CG1-CG2 3.4Å; V493-V526 VanDerWaalsContact CG1-CG2 3.4Å; V493-V526 HydrophobicContact CG2-CG1 4.22Å
494	L	90.4	Very high	89.9	Confident	42 Å²	42	39.7 Å²	39.7	22%	0.22	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.2	-174.2	-169.5	76.1	0	0	0	110.7	A523 W524	L494-A523 WeakPolarHBondContact O-CA 3.5Å; L494-W524 HydrophobicContact CB-CB 4.4Å; L494-W524 HydrophobicContact CD2-CE3 4.33Å; L494-W524 PolarHBondContact O-N 2.94Å
495	H	89.9	Confident	89.1	Confident	27 Å²	27	41.7 Å²	41.7	13%	0.125	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.2	170.3	-168	-83.7	0	0	0	109.4	R497 G498 G499 V501 E522	H495-R497 PolarHBondContact ND1-N 3.03Å; H495-R497 PolarHBondContact O-N 3.21Å; H495-G498 PolarHBondContact ND1-N 2.93Å; H495-G498 PolarHBondContact O-N 3.45Å; H495-G499 PolarHBondContact N-O 2.92Å; H495-G499 PolarHBondContact O-N 3Å; H495-V501 HydrophobicContact CB-CG2 3.92Å; H495-E522 IonicContact CE1-OE2 2.72Å; H495-E522 IonicContact NE2-OE2 3.53Å
496	P	83.9	Confident	88.6	Confident	103 Å²	103	41.8 Å²	41.8	67%	0.669	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.2	-173	-29	34.7	0	0	0	115.1	E522	P496-E522 WeakPolarHBondContact CD-O 3.39Å
497	R	81.9	Confident	88.5	Confident	235 Å²	235	41.6 Å²	41.6	89%	0.887	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-5.6	178.9	-57.1	-175.7	-173.4	-162.3	2.4	114.5	H495	H495-R497 PolarHBondContact ND1-N 3.03Å; H495-R497 PolarHBondContact O-N 3.21Å
498	G	78.2	Confident	88.2	Confident	58 Å²	58	39.8 Å²	39.8	60%	0.598	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-7.1	-167.9	0	0	0	0	0	114.6	H495	H495-G498 PolarHBondContact ND1-N 2.93Å; H495-G498 PolarHBondContact O-N 3.45Å
499	G	86.8	Confident	87.9	Confident	34 Å²	34	41.6 Å²	41.6	35%	0.351	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-150.8	-177.4	0	0	0	0	0	112.6	H495	H495-G499 PolarHBondContact N-O 2.92Å; H495-G499 PolarHBondContact O-N 3Å
500	T	85.9	Confident	87.6	Confident	97 Å²	97	39.2 Å²	39.2	60%	0.595	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	137.8	-176.2	59.6	0	0	0	0	111.9	L434	L434-T500 HydrophobicContact CD2-CG2 3.36Å
501	V	88.3	Confident	87.4	Confident	13 Å²	13	40.4 Å²	40.4	8%	0.079	24%	0.244	C	C	.	.			trans	-96.2	112.6	-178	-173.8	0	0	0	0	110.5	P492 V493 H495 G505 G506	P492-V501 HydrophobicContact CB-CB 4.26Å; P492-V501 HydrophobicContact CB-CG1 3.96Å; P492-V501 HydrophobicContact CB-CG2 4.38Å; V493-V501 PolarHBondContact O-N 3.07Å; H495-V501 HydrophobicContact CB-CG2 3.92Å; V501-G505 WeakPolarHBondContact CG1-O 3.43Å; V501-G506 VanDerWaalsContact CG1-N 3.3Å
502	G	87.3	Confident	86.9	Confident	38 Å²	38	44 Å²	44	39%	0.392	28%	0.281	S	S	.	.			trans	-78.3	178.8	174	0	0	0	0	0	113.5	E504 G505 G506	G502-E504 PolarHBondContact O-N 3.14Å; G502-G505 PolarHBondContact O-N 2.97Å; G502-G506 PolarHBondContact O-N 3.04Å
503	L	87.9	Confident	86.5	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-52.7	-50.3	-175.6	-172	152.8	0	0	0	113	A407 C410 L411 L414 I422 Y437 G506 V507 G508	A407-L503 HydrophobicContact CB-CB 4.15Å; A407-L503 HydrophobicContact CB-CD1 4.16Å; C410-L503 HydrophobicContact CB-CD2 4.12Å; L411-L503 HydrophobicContact CD2-CD1 3.83Å; L411-L503 HydrophobicContact CD2-CD2 3.99Å; L411-L503 HydrophobicContact CG-CD1 4.21Å; L414-L503 HydrophobicContact CD1-CD2 3.98Å; I422-L503 HydrophobicContact CG2-CD1 4.06Å; Y437-L503 HydrophobicContact CD1-CB 4.24Å; Y437-L503 HydrophobicContact CD1-CD1 3.94Å; Y437-L503 HydrophobicContact CD1-CG 4.43Å; Y437-L503 HydrophobicContact CD2-CB 3.95Å; Y437-L503 HydrophobicContact CE1-CD1 4.34Å; Y437-L503 HydrophobicContact CE2-CB 4.26Å; Y437-L503 HydrophobicContact CG-CB 3.94Å; Y437-L503 HydrophobicContact CG-CD1 4.33Å; Y437-L503 HydrophobicContact CG-CG 4.33Å; L503-G506 PolarHBondContact O-N 3.25Å; L503-V507 HydrophobicContact CG-CG2 4.32Å; L503-V507 PolarHBondContact O-N 3.34Å; L503-V507 VanDerWaalsContact O-N 3.1Å; L503-G508 PolarHBondContact O-N 2.74Å
504	E	84.1	Confident	85.8	Confident	60 Å²	60	48.1 Å²	48.1	28%	0.28	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-50.2	-178.9	178.2	173.9	-135.1	0	0	112.9	C410 R413 G502 G506 P514	C410-E504 HydrophobicContact CB-CB 4.03Å; R413-E504 IonicContact CZ-OE1 3.43Å; R413-E504 VanDerWaalsContact CZ-OE1 3.26Å; R413-E504 IonicContact CZ-OE2 3.52Å; R413-E504 IonicContact NE-OE1 2.75Å; R413-E504 PolarHBondContact NE-OE1 3.48Å; R413-E504 IonicContact NH2-OE1 2.94Å; R413-E504 PolarHBondContact NH2-OE1 3.26Å; R413-E504 IonicContact NH2-OE2 2.78Å; R413-E504 PolarHBondContact NH2-OE2 3.15Å; G502-E504 PolarHBondContact O-N 3.14Å; E504-G506 PolarHBondContact O-N 2.84Å; E504-P514 HydrophobicContact CG-CG 4.37Å; E504-P514 WeakPolarHBondContact OE1-CG 3.37Å
505	G	77.8	Confident	85.2	Confident	44 Å²	44	48.8 Å²	48.8	45%	0.454	33%	0.328	S	S	.	.	H	α-helix	trans	-73.3	-13.1	-178.8	0	0	0	0	0	114.3	V501 G502	V501-G505 WeakPolarHBondContact CG1-O 3.43Å; G502-G505 PolarHBondContact O-N 2.97Å
506	G	84.2	Confident	84.8	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-103.3	-82.3	-176.3	0	0	0	0	0	112.7	V501 G502 L503 E504 W509	V501-G506 VanDerWaalsContact CG1-N 3.3Å; G502-G506 PolarHBondContact O-N 3.04Å; L503-G506 PolarHBondContact O-N 3.25Å; E504-G506 PolarHBondContact O-N 2.84Å; G506-W509 PolarHBondContact O-NE1 3.21Å
507	V	90	Very high	85.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-13.3	-172	-66.8	0	0	0	0	113.8	Y437 V439 F491 L503 W509 L510 L511	Y437-V507 VanDerWaalsContact O-CG1 3.23Å; Y437-V507 WeakPolarHBondContact O-CG1 3.38Å; V439-V507 HydrophobicContact CG1-CB 3.88Å; V439-V507 HydrophobicContact CG1-CG2 3.66Å; V439-V507 HydrophobicContact CG2-CB 3.81Å; V439-V507 HydrophobicContact CG2-CG1 4.12Å; F491-V507 HydrophobicContact CD1-CG1 3.94Å; L503-V507 HydrophobicContact CG-CG2 4.32Å; L503-V507 PolarHBondContact O-N 3.34Å; L503-V507 VanDerWaalsContact O-N 3.1Å; V507-W509 VanDerWaalsContact C-N 3.27Å; V507-W509 PolarHBondContact O-N 3.04Å; V507-L510 HydrophobicContact CG1-CD1 4.39Å; V507-L510 WeakPolarHBondContact O-CB 3.32Å; V507-L510 PolarHBondContact O-N 3.34Å; V507-L511 PolarHBondContact O-N 3.48Å
508	G	88.6	Confident	85.5	Confident	1 Å²	1	42 Å²	42	1%	0.01	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-59.8	-34.5	-178.4	0	0	0	0	0	113.5	L503 L510 L511 G513	L503-G508 PolarHBondContact O-N 2.74Å; G508-L510 VanDerWaalsContact C-N 3.34Å; G508-L510 PolarHBondContact O-N 3.45Å; G508-L511 CarbonylContact O-C 3.5Å; G508-L511 WeakPolarHBondContact O-CB 3.43Å; G508-L511 PolarHBondContact O-N 2.83Å; G508-L511 VanDerWaalsContact O-N 3.17Å; G508-G513 WeakPolarHBondContact O-CA 3.44Å; G508-G513 PolarHBondContact O-N 3.35Å
509	W	88.2	Confident	86	Confident	38 Å²	38	46.3 Å²	46.3	14%	0.144	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-69.7	-29.1	175.7	83.7	-83	0	0	0	113.2	I471 G506 V507 L511 G512 L517 W520	I471-W509 HydrophobicContact CD1-CH2 4.04Å; I471-W509 HydrophobicContact CD1-CZ2 4.17Å; I471-W509 HydrophobicContact CG1-CH2 4.41Å; G506-W509 PolarHBondContact O-NE1 3.21Å; V507-W509 VanDerWaalsContact C-N 3.27Å; V507-W509 PolarHBondContact O-N 3.04Å; W509-L511 PolarHBondContact O-N 3.26Å; W509-G512 PolarHBondContact O-N 2.87Å; W509-L517 HydrophobicContact CH2-CB 4.48Å; W509-L517 HydrophobicContact CH2-CD1 3.95Å; W509-L517 HydrophobicContact CZ2-CD1 4.44Å; W509-W520 AromaticContact CE2-CD1 3.88Å; W509-W520 AromaticContact CE2-CG 3.84Å; W509-W520 HydrophobicContact CZ2-CB 3.76Å; W509-W520 AromaticContact CZ2-CD1 3.89Å; W509-W520 AromaticContact CZ2-CD2 3.93Å; W509-W520 HydrophobicContact CZ2-CD2 3.93Å; W509-W520 AromaticContact CZ2-CG 3.57Å; W509-W520 HydrophobicContact CZ2-CG 3.57Å; W509-W520 AromaticContact NE1-CD1 3.25Å; W509-W520 VanDerWaalsContact NE1-CD1 3.25Å; W509-W520 AromaticContact NE1-CG 3.57Å
510	L	89.9	Confident	86.2	Confident	21 Å²	21	44.8 Å²	44.8	11%	0.11	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-65.6	-24.3	173.1	-60.9	174.9	0	0	0	111.4	V439 F457 L458 F465 I471 V507 G508 G512	V439-L510 HydrophobicContact CG2-CD1 4.33Å; F457-L510 HydrophobicContact CE1-CD1 4.42Å; F457-L510 HydrophobicContact CZ-CD1 4.38Å; L458-L510 HydrophobicContact CD1-CB 4.24Å; F465-L510 HydrophobicContact CE2-CD2 4.2Å; F465-L510 HydrophobicContact CZ-CD2 4.05Å; I471-L510 HydrophobicContact CD1-CD2 4.35Å; V507-L510 HydrophobicContact CG1-CD1 4.39Å; V507-L510 WeakPolarHBondContact O-CB 3.32Å; V507-L510 PolarHBondContact O-N 3.34Å; G508-L510 VanDerWaalsContact C-N 3.34Å; G508-L510 PolarHBondContact O-N 3.45Å; L510-G512 VanDerWaalsContact C-N 3.31Å
511	L	90	Very high	86.5	Confident	26 Å²	26	45.2 Å²	45.2	14%	0.136	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-91.3	15.1	174.2	-57.2	178.3	0	0	0	112.8	L414 L416 I420 I422 V439 L458 V507 G508 W509	L414-L511 HydrophobicContact CD1-CB 4.47Å; L414-L511 HydrophobicContact CD1-CD1 4.21Å; L416-L511 HydrophobicContact CD2-CD1 4.06Å; I420-L511 HydrophobicContact CG2-CD2 4.12Å; I422-L511 HydrophobicContact CD1-CD1 3.81Å; I422-L511 HydrophobicContact CG1-CD1 4.46Å; V439-L511 HydrophobicContact CB-CD2 4.3Å; V439-L511 HydrophobicContact CG1-CD1 3.88Å; V439-L511 HydrophobicContact CG1-CD2 4.41Å; V439-L511 HydrophobicContact CG1-CG 4.28Å; L458-L511 HydrophobicContact CD1-CD2 4.36Å; L458-L511 HydrophobicContact CD2-CD2 4.01Å; V507-L511 PolarHBondContact O-N 3.48Å; G508-L511 CarbonylContact O-C 3.5Å; G508-L511 WeakPolarHBondContact O-CB 3.43Å; G508-L511 PolarHBondContact O-N 2.83Å; G508-L511 VanDerWaalsContact O-N 3.17Å; W509-L511 PolarHBondContact O-N 3.26Å
512	G	86.1	Confident	86.7	Confident	74 Å²	74	48.9 Å²	48.9	76%	0.763	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	11	-179.7	0	0	0	0	0	115.1	W509 L510	W509-G512 PolarHBondContact O-N 2.87Å; L510-G512 VanDerWaalsContact C-N 3.31Å
513	G	85.2	Confident	86.9	Confident	16 Å²	16	47.6 Å²	47.6	17%	0.165	28%	0.278	C	S	.	.			trans	-75.9	176.3	175.2	0	0	0	0	0	115.3	G508 G515	G508-G513 WeakPolarHBondContact O-CA 3.44Å; G508-G513 PolarHBondContact O-N 3.35Å; G513-G515 PolarHBondContact O-N 3.18Å
514	P	76.6	Confident	87.2	Confident	75 Å²	75	53.8 Å²	53.8	49%	0.487	30%	0.302	S	S	.	.	S	Bend	trans	-66.2	128.8	177.3	28.8	-33.9	0	0	0	111	E504	E504-P514 HydrophobicContact CG-CG 4.37Å; E504-P514 WeakPolarHBondContact OE1-CG 3.37Å
515	G	78.6	Confident	87.6	Confident	56 Å²	56	52.6 Å²	52.6	58%	0.577	30%	0.295	S	S	*	.			trans	169.9	-179.4	-179.9	0	0	0	0	0	111.9	G513	G513-G515 PolarHBondContact O-N 3.18Å
516	C	81.8	Confident	88.5	Confident	60 Å²	60	50.7 Å²	50.7	41%	0.405	27%	0.274	S	S	.	.			trans	-148.8	149.7	171.4	70.5	0	0	0	0	112.1	Q518 R519 W520	C516-Q518 PolarHBondContact O-N 3.12Å; C516-Q518 VanDerWaalsContact O-N 3.14Å; C516-R519 PolarHBondContact O-N 3.17Å; C516-R519 VanDerWaalsContact O-N 3.1Å; C516-W520 PolarHBondContact O-N 2.89Å
517	L	90.1	Very high	89	Confident	36 Å²	36	50.7 Å²	50.7	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-52.6	-35.9	179.9	178.9	62.1	0	0	0	112.9	I471 W509 W520 R521	I471-L517 HydrophobicContact CD1-CD1 4.47Å; I471-L517 HydrophobicContact CG1-CD1 3.54Å; W509-L517 HydrophobicContact CH2-CB 4.48Å; W509-L517 HydrophobicContact CH2-CD1 3.95Å; W509-L517 HydrophobicContact CZ2-CD1 4.44Å; L517-W520 HydrophobicContact CD1-CE3 4Å; L517-W520 HydrophobicContact CD1-CZ3 4.4Å; L517-W520 PolarHBondContact O-N 2.97Å; L517-R521 HydrophobicContact CD1-CG 4.42Å; L517-R521 WeakPolarHBondContact O-CG 3.41Å; L517-R521 PolarHBondContact O-N 2.92Å
518	Q	89.6	Confident	89.2	Confident	128 Å²	128	50.7 Å²	50.7	60%	0.598	27%	0.274	S	S	*	.	H	α-helix	trans	-61.6	-47	179.1	-177	178.5	-8.1	0	0	112.1	C516 W520 R521 E522	C516-Q518 PolarHBondContact O-N 3.12Å; C516-Q518 VanDerWaalsContact O-N 3.14Å; Q518-W520 VanDerWaalsContact C-N 3.3Å; Q518-W520 PolarHBondContact O-N 3.05Å; Q518-R521 WeakPolarHBondContact O-CB 3.48Å; Q518-R521 PolarHBondContact O-N 3.31Å; Q518-E522 WeakPolarHBondContact CG-OE1 3.38Å; Q518-E522 PolarHBondContact NE2-OE1 3.07Å; Q518-E522 WeakPolarHBondContact O-CG 3.4Å; Q518-E522 PolarHBondContact O-N 3.19Å
519	R	88.6	Confident	89.4	Confident	147 Å²	147	55.3 Å²	55.3	56%	0.555	29%	0.291	S	S	*	.	H	α-helix	trans	-65.6	-35.6	178.7	-72.7	-173.5	71.2	-179	0.8	112.1	C516 E522 A523	C516-R519 PolarHBondContact O-N 3.17Å; C516-R519 VanDerWaalsContact O-N 3.1Å; R519-E522 PolarHBondContact O-N 3.17Å; R519-A523 PolarHBondContact O-N 2.63Å
520	W	91.9	Very high	89.7	Confident	3 Å²	3	56 Å²	56	1%	0.011	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-38.8	174.6	178.6	88.9	0	0	0	112	I471 L476 L490 P492 W509 C516 L517 Q518 A523 R525	I471-W520 HydrophobicContact CD1-CE3 4.32Å; I471-W520 HydrophobicContact CD1-CH2 3.69Å; I471-W520 HydrophobicContact CD1-CZ2 3.91Å; I471-W520 HydrophobicContact CD1-CZ3 3.94Å; I471-W520 HydrophobicContact CG1-CE3 4.31Å; I471-W520 HydrophobicContact CG1-CH2 3.99Å; I471-W520 HydrophobicContact CG1-CZ3 3.82Å; I471-W520 HydrophobicContact CG2-CH2 3.93Å; I471-W520 HydrophobicContact CG2-CZ3 4.19Å; L476-W520 HydrophobicContact CD2-CH2 3.75Å; L476-W520 HydrophobicContact CD2-CZ2 4.14Å; L490-W520 HydrophobicContact CD2-CZ2 4.49Å; L490-W520 PolarHBondContact O-NE1 3.31Å; P492-W520 VanDerWaalsContact CG-CD1 3.46Å; P492-W520 HydrophobicContact CG-CG 4.5Å; W509-W520 AromaticContact CE2-CD1 3.88Å; W509-W520 AromaticContact CE2-CG 3.84Å; W509-W520 HydrophobicContact CZ2-CB 3.76Å; W509-W520 AromaticContact CZ2-CD1 3.89Å; W509-W520 AromaticContact CZ2-CD2 3.93Å; W509-W520 HydrophobicContact CZ2-CD2 3.93Å; W509-W520 AromaticContact CZ2-CG 3.57Å; W509-W520 HydrophobicContact CZ2-CG 3.57Å; W509-W520 AromaticContact NE1-CD1 3.25Å; W509-W520 VanDerWaalsContact NE1-CD1 3.25Å; W509-W520 AromaticContact NE1-CG 3.57Å; C516-W520 PolarHBondContact O-N 2.89Å; L517-W520 HydrophobicContact CD1-CE3 4Å; L517-W520 HydrophobicContact CD1-CZ3 4.4Å; L517-W520 PolarHBondContact O-N 2.97Å; Q518-W520 VanDerWaalsContact C-N 3.3Å; Q518-W520 PolarHBondContact O-N 3.05Å; W520-A523 PolarHBondContact O-N 2.96Å; W520-R525 VanDerWaalsContact CZ2-CD 3.41Å
521	R	91.9	Very high	89.9	Confident	106 Å²	106	55 Å²	55	40%	0.4	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-37.1	174.5	-77.1	176.3	168.3	148.4	3.5	113.3	G470 E475 L517 Q518 A523	G470-R521 PolarHBondContact O-NH2 2.88Å; E475-R521 WeakPolarHBondContact OE1-CG 3.28Å; E475-R521 IonicContact OE1-CZ 2.74Å; E475-R521 IonicContact OE1-NE 3.71Å; E475-R521 PolarHBondContact OE1-NE 3.32Å; E475-R521 IonicContact OE1-NH2 3.22Å; E475-R521 IonicContact OE2-CZ 3.68Å; E475-R521 IonicContact OE2-NE 3.81Å; E475-R521 IonicContact OE2-NH2 3.8Å; E475-R521 PolarHBondContact OE2-NH2 2.86Å; L517-R521 HydrophobicContact CD1-CG 4.42Å; L517-R521 WeakPolarHBondContact O-CG 3.41Å; L517-R521 PolarHBondContact O-N 2.92Å; Q518-R521 WeakPolarHBondContact O-CB 3.48Å; Q518-R521 PolarHBondContact O-N 3.31Å; R521-A523 VanDerWaalsContact C-N 3.28Å; R521-A523 PolarHBondContact O-N 3.18Å
522	E	92	Very high	89.9	Confident	90 Å²	90	54.1 Å²	54.1	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-72.2	-20.7	178.9	-73.1	174.7	-164.2	0	0	113.1	H495 P496 Q518 R519	H495-E522 IonicContact CE1-OE2 2.72Å; H495-E522 IonicContact NE2-OE2 3.53Å; P496-E522 WeakPolarHBondContact CD-O 3.39Å; Q518-E522 WeakPolarHBondContact CG-OE1 3.38Å; Q518-E522 PolarHBondContact NE2-OE1 3.07Å; Q518-E522 WeakPolarHBondContact O-CG 3.4Å; Q518-E522 PolarHBondContact O-N 3.19Å; R519-E522 PolarHBondContact O-N 3.17Å
523	A	92.8	Very high	90	Very high	10 Å²	10	53.7 Å²	53.7	8%	0.083	27%	0.271	C	S	.	.	S	Bend	trans	-78.2	144.1	178.1	0	0	0	0	0	112	P492 L494 R519 W520 R521 R525	P492-A523 HydrophobicContact CB-CB 3.84Å; L494-A523 WeakPolarHBondContact O-CA 3.5Å; R519-A523 PolarHBondContact O-N 2.63Å; W520-A523 PolarHBondContact O-N 2.96Å; R521-A523 VanDerWaalsContact C-N 3.28Å; R521-A523 PolarHBondContact O-N 3.18Å; A523-R525 PolarHBondContact O-N 3.32Å
524	W	92.6	Very high	90.4	Very high	134 Å²	134	55.2 Å²	55.2	51%	0.508	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.8	165.1	-168.6	8	0	0	0	108.6	L429 P492 V493 L494	L429-W524 HydrophobicContact CD1-CH2 4.19Å; L429-W524 HydrophobicContact CD2-CE3 3.94Å; L429-W524 HydrophobicContact CD2-CH2 3.63Å; L429-W524 HydrophobicContact CD2-CZ2 4.24Å; L429-W524 HydrophobicContact CD2-CZ3 3.45Å; L429-W524 VanDerWaalsContact CD2-CZ3 3.45Å; L429-W524 HydrophobicContact CG-CH2 4.11Å; L429-W524 HydrophobicContact CG-CZ3 4.28Å; P492-W524 CarbonylContact C-O 3.56Å; P492-W524 WeakPolarHBondContact CA-O 3.45Å; V493-W524 HydrophobicContact CG2-CB 4.28Å; V493-W524 HydrophobicContact CG2-CD2 4.43Å; V493-W524 HydrophobicContact CG2-CG 4.31Å; V493-W524 WeakPolarHBondContact CG2-O 3.37Å; V493-W524 PolarHBondContact N-O 3Å; L494-W524 HydrophobicContact CB-CB 4.4Å; L494-W524 HydrophobicContact CD2-CE3 4.33Å; L494-W524 PolarHBondContact O-N 2.94Å
525	R	94	Very high	91.1	Very high	36 Å²	36	52.4 Å²	52.4	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	148.9	-176.1	-66.1	170.5	-73.5	133.7	-9.7	110.9	E475 R489 F491 P492 W520 A523	E475-R525 PolarHBondContact O-NH1 3.38Å; E475-R525 PolarHBondContact O-NH2 3.27Å; R489-R525 HydrophobicContact CB-CB 4.22Å; R489-R525 PolarHBondContact O-NH1 3.1Å; F491-R525 CarbonylContact O-C 3.59Å; F491-R525 VanDerWaalsContact O-CA 3.25Å; F491-R525 WeakPolarHBondContact O-CA 3.33Å; P492-R525 HydrophobicContact CB-CG 4.4Å; P492-R525 HydrophobicContact CG-CG 4.2Å; W520-R525 VanDerWaalsContact CZ2-CD 3.41Å; A523-R525 PolarHBondContact O-N 3.32Å
526	V	94.7	Very high	91.7	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	158.8	174.6	-60.5	0	0	0	0	110.6	R489 L490 F491 V493 E530 V531	R489-V526 WeakPolarHBondContact CA-O 3.34Å; L490-V526 PolarHBondContact N-O 3.4Å; F491-V526 HydrophobicContact CB-CG2 4.28Å; F491-V526 WeakPolarHBondContact CD2-O 3.27Å; F491-V526 PolarHBondContact N-O 3.41Å; F491-V526 VanDerWaalsContact N-O 3.11Å; F491-V526 PolarHBondContact O-N 2.93Å; V493-V526 HydrophobicContact CG1-CB 4.2Å; V493-V526 HydrophobicContact CG1-CG1 3.8Å; V493-V526 HydrophobicContact CG1-CG2 3.4Å; V493-V526 VanDerWaalsContact CG1-CG2 3.4Å; V493-V526 HydrophobicContact CG2-CG1 4.22Å; V526-E530 WeakPolarHBondContact CA-OE2 3.47Å; V526-E530 HydrophobicContact CB-CB 3.98Å; V526-V531 HydrophobicContact CG2-CG2 3.53Å
527	S	95.4	Very high	92.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	22%	0.218	C	C	.	.			trans	-84.5	165.9	171.7	73.6	0	0	0	0	112.2	L486 E487 A488 R529 E530 V531	L486-S527 WeakPolarHBondContact O-CB 3.48Å; E487-S527 VanDerWaalsContact C-CB 3.45Å; E487-S527 WeakPolarHBondContact O-CB 3.44Å; A488-S527 VanDerWaalsContact O-CA 3.29Å; A488-S527 WeakPolarHBondContact O-CA 3.35Å; S527-R529 PolarHBondContact O-N 3.36Å; S527-R529 PolarHBondContact OG-N 3.12Å; S527-E530 PolarHBondContact N-OE2 3.49Å; S527-E530 PolarHBondContact O-N 3.46Å; S527-E530 WeakPolarHBondContact OG-CG 3.45Å; S527-E530 PolarHBondContact OG-N 2.82Å; S527-E530 VanDerWaalsContact OG-N 3.11Å; S527-V531 WeakPolarHBondContact O-CG2 3.41Å; S527-V531 PolarHBondContact O-N 3.4Å
528	L	94.7	Very high	92.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-35.7	174.4	-177.8	60.5	0	0	0	110.9	P100 T438 L446 L486 F491 V531 L532	P100-L528 HydrophobicContact CB-CD2 4.38Å; T438-L528 HydrophobicContact CG2-CD1 4.14Å; L446-L528 HydrophobicContact CD1-CD2 4.12Å; L446-L528 HydrophobicContact CD2-CD2 4.15Å; L486-L528 HydrophobicContact CD1-CB 4.01Å; L486-L528 HydrophobicContact CD1-CD2 3.99Å; L486-L528 HydrophobicContact CD1-CG 3.94Å; L486-L528 PolarHBondContact O-N 3.24Å; F491-L528 HydrophobicContact CE2-CB 3.86Å; L528-V531 PolarHBondContact O-N 3.03Å; L528-L532 HydrophobicContact CG-CD1 4.47Å; L528-L532 WeakPolarHBondContact O-CG 3.42Å; L528-L532 PolarHBondContact O-N 3.5Å
529	R	92.6	Very high	92.4	Very high	98 Å²	98	46.2 Å²	46.2	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-57	-50.4	172.1	176.9	66.6	67.5	-168.5	8.2	111.5	L486 E487 S527 L532 S533	L486-R529 HydrophobicContact CD1-CB 4.39Å; L486-R529 HydrophobicContact CG-CB 4.27Å; L486-R529 WeakPolarHBondContact O-CB 3.46Å; L486-R529 PolarHBondContact O-N 3.37Å; E487-R529 IonicContact OE1-CZ 3.06Å; E487-R529 IonicContact OE1-NE 3.26Å; E487-R529 PolarHBondContact OE1-NE 2.92Å; E487-R529 VanDerWaalsContact OE1-NE 3.12Å; E487-R529 IonicContact OE1-NH2 3Å; E487-R529 WeakPolarHBondContact OE2-CB 3.39Å; S527-R529 PolarHBondContact O-N 3.36Å; S527-R529 PolarHBondContact OG-N 3.12Å; R529-L532 PolarHBondContact O-N 3.07Å; R529-S533 PolarHBondContact O-N 2.91Å; R529-S533 VanDerWaalsContact O-N 3.07Å; R529-S533 PolarHBondContact O-OG 3.07Å
530	E	93.5	Very high	92.7	Very high	51 Å²	51	39.4 Å²	39.4	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-44.4	178.7	-73.4	168.7	153.9	0	0	110.2	R489 V526 S527 L532 S533 L534	R489-E530 IonicContact CZ-OE1 3.92Å; R489-E530 IonicContact NE-OE1 3.55Å; R489-E530 PolarHBondContact NE-OE1 3.24Å; R489-E530 IonicContact NE-OE2 3.6Å; R489-E530 PolarHBondContact NE-OE2 3.02Å; R489-E530 IonicContact NH2-OE1 3.59Å; R489-E530 PolarHBondContact NH2-OE1 2.9Å; V526-E530 WeakPolarHBondContact CA-OE2 3.47Å; V526-E530 HydrophobicContact CB-CB 3.98Å; S527-E530 PolarHBondContact N-OE2 3.49Å; S527-E530 PolarHBondContact O-N 3.46Å; S527-E530 WeakPolarHBondContact OG-CG 3.45Å; S527-E530 PolarHBondContact OG-N 2.82Å; S527-E530 VanDerWaalsContact OG-N 3.11Å; E530-L532 PolarHBondContact O-N 3.27Å; E530-S533 WeakPolarHBondContact CA-OG 3.4Å; E530-S533 PolarHBondContact O-N 2.83Å; E530-S533 PolarHBondContact O-OG 2.88Å; E530-L534 HydrophobicContact CB-CD1 4.46Å; E530-L534 WeakPolarHBondContact O-CB 3.46Å; E530-L534 WeakPolarHBondContact O-CG 3.43Å; E530-L534 PolarHBondContact O-N 3.19Å
531	V	94.3	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.8	-48.6	175.2	172	0	0	0	0	111.8	H425 I427 V436 T438 V526 S527 L528 S533 L534 T535	H425-V531 HydrophobicContact CB-CG1 3.78Å; I427-V531 HydrophobicContact CG2-CG1 4.23Å; V436-V531 HydrophobicContact CG1-CG2 4.24Å; T438-V531 HydrophobicContact CG2-CG1 4.35Å; T438-V531 HydrophobicContact CG2-CG2 4.17Å; V526-V531 HydrophobicContact CG2-CG2 3.53Å; S527-V531 WeakPolarHBondContact O-CG2 3.41Å; S527-V531 PolarHBondContact O-N 3.4Å; L528-V531 PolarHBondContact O-N 3.03Å; V531-S533 PolarHBondContact O-N 2.99Å; V531-L534 PolarHBondContact O-N 3.22Å; V531-T535 PolarHBondContact O-N 3.31Å; V531-T535 PolarHBondContact O-OG1 3.02Å
532	L	90.9	Very high	92.8	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-41.4	-179.4	-64.8	172.8	0	0	0	111.9	D98 P100 L528 R529 E530 L534 T535	D98-L532 HydrophobicContact CB-CB 4.29Å; D98-L532 HydrophobicContact CB-CD1 4.41Å; P100-L532 HydrophobicContact CB-CD1 4.36Å; P100-L532 HydrophobicContact CG-CD1 3.99Å; L528-L532 HydrophobicContact CG-CD1 4.47Å; L528-L532 WeakPolarHBondContact O-CG 3.42Å; L528-L532 PolarHBondContact O-N 3.5Å; R529-L532 PolarHBondContact O-N 3.07Å; E530-L532 PolarHBondContact O-N 3.27Å; L532-L534 VanDerWaalsContact C-N 3.34Å; L532-L534 PolarHBondContact O-N 3.03Å; L532-T535 WeakPolarHBondContact O-CB 2.99Å; L532-T535 PolarHBondContact O-N 3.08Å
533	S	88.9	Confident	93	Very high	64 Å²	64	36.6 Å²	36.6	45%	0.448	18%	0.175	S	C	.	.	H	α-helix	trans	-69.3	-29.1	178	69.2	0	0	0	0	114	R529 E530 V531	R529-S533 PolarHBondContact O-N 2.91Å; R529-S533 VanDerWaalsContact O-N 3.07Å; R529-S533 PolarHBondContact O-OG 3.07Å; E530-S533 WeakPolarHBondContact CA-OG 3.4Å; E530-S533 PolarHBondContact O-N 2.83Å; E530-S533 PolarHBondContact O-OG 2.88Å; V531-S533 PolarHBondContact O-N 2.99Å
534	L	91.8	Very high	93.1	Very high	48 Å²	48	36.2 Å²	36.2	25%	0.251	17%	0.171	S	C	.	.	H	α-helix	trans	-93.7	-2.2	-178.7	-63.8	169.8	0	0	0	112.5	I427 E428 L429 E530 V531 L532 H536	I427-L534 CarbonylContact C-O 3.56Å; I427-L534 WeakPolarHBondContact CA-O 3.46Å; I427-L534 HydrophobicContact CB-CB 4.03Å; I427-L534 WeakPolarHBondContact CB-O 3.38Å; I427-L534 HydrophobicContact CD1-CB 4.49Å; I427-L534 HydrophobicContact CD1-CD1 4.43Å; I427-L534 HydrophobicContact CG2-CB 4.42Å; E428-L534 PolarHBondContact N-O 3.28Å; E428-L534 WeakPolarHBondContact O-CD2 3.27Å; L429-L534 HydrophobicContact CD1-CD1 3.98Å; L429-L534 HydrophobicContact CD1-CD2 4.48Å; E530-L534 HydrophobicContact CB-CD1 4.46Å; E530-L534 WeakPolarHBondContact O-CB 3.46Å; E530-L534 WeakPolarHBondContact O-CG 3.43Å; E530-L534 PolarHBondContact O-N 3.19Å; V531-L534 PolarHBondContact O-N 3.22Å; L532-L534 VanDerWaalsContact C-N 3.34Å; L532-L534 PolarHBondContact O-N 3.03Å; L534-H536 PolarHBondContact O-N 2.92Å
535	T	91.6	Very high	93.1	Very high	16 Å²	16	31.1 Å²	31.1	10%	0.098	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-63.7	122.1	-177.2	-69.6	0	0	0	0	111.1	P103 V531 L532 Q537 E540	P103-T535 HydrophobicContact CB-CG2 3.58Å; V531-T535 PolarHBondContact O-N 3.31Å; V531-T535 PolarHBondContact O-OG1 3.02Å; L532-T535 WeakPolarHBondContact O-CB 2.99Å; L532-T535 PolarHBondContact O-N 3.08Å; T535-Q537 HydrophobicContact CG2-CG 4.17Å; T535-Q537 PolarHBondContact O-N 3.22Å; T535-Q537 VanDerWaalsContact O-N 3.09Å; T535-E540 HydrophobicContact CG2-CG 4.12Å
536	H	92.7	Very high	93.2	Very high	29 Å²	29	33.5 Å²	33.5	13%	0.134	17%	0.166	C	C	.	.			trans	-83.7	85.1	175.6	-172.1	-78.2	0	0	0	109.7	R426 E428 L534 E538 A539 E540	R426-H536 PolarHBondContact O-N 3.07Å; E428-H536 HydrophobicContact CB-CB 4.41Å; E428-H536 IonicContact OE2-CD2 3.92Å; E428-H536 PolarHBondContact OE2-CD2 3.48Å; L534-H536 PolarHBondContact O-N 2.92Å; H536-E538 VanDerWaalsContact C-N 3.28Å; H536-E538 PolarHBondContact O-N 3.36Å; H536-A539 HydrophobicContact CB-CB 4.31Å; H536-A539 WeakPolarHBondContact ND1-CB 3.4Å; H536-A539 PolarHBondContact ND1-N 3.43Å; H536-A539 WeakPolarHBondContact O-CB 2.93Å; H536-A539 PolarHBondContact O-N 2.66Å; H536-E540 PolarHBondContact O-N 3.16Å
537	Q	91	Very high	93.2	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.051	17%	0.165	C	C	.	.	H	α-helix	trans	-58	-33.3	-170.5	-67.7	-176.2	-17.5	0	0	114.6	S21 P103 T535 A539 E540 L541	S21-Q537 VanDerWaalsContact CB-OE1 3.23Å; S21-Q537 PolarHBondContact OG-OE1 3.01Å; P103-Q537 PolarHBondContact O-NE2 2.89Å; T535-Q537 HydrophobicContact CG2-CG 4.17Å; T535-Q537 PolarHBondContact O-N 3.22Å; T535-Q537 VanDerWaalsContact O-N 3.09Å; Q537-A539 VanDerWaalsContact C-N 3.3Å; Q537-A539 PolarHBondContact O-N 3.33Å; Q537-E540 PolarHBondContact O-N 3.28Å; Q537-L541 WeakPolarHBondContact O-CG 3.44Å; Q537-L541 PolarHBondContact O-N 3.39Å
538	E	91.9	Very high	93.2	Very high	86 Å²	86	33.7 Å²	33.7	40%	0.402	17%	0.166	S	C	.	.	H	α-helix	trans	-62.9	-38.8	174.7	-179.2	174.8	-158.4	0	0	111.6	A24 H536 L541 Q542	A24-E538 HydrophobicContact CB-CB 4.01Å; H536-E538 VanDerWaalsContact C-N 3.28Å; H536-E538 PolarHBondContact O-N 3.36Å; E538-L541 PolarHBondContact O-N 3.18Å; E538-Q542 VanDerWaalsContact O-CB 3.3Å; E538-Q542 WeakPolarHBondContact O-CB 3.4Å; E538-Q542 PolarHBondContact O-N 2.94Å
539	A	93.3	Very high	93.2	Very high	25 Å²	25	34.2 Å²	34.2	21%	0.207	17%	0.168	C	C	.	.	H	α-helix	trans	-72.5	-34.3	179.7	0	0	0	0	0	111.1	R426 H536 Q537 W543	R426-A539 HydrophobicContact CB-CB 4.15Å; R426-A539 WeakPolarHBondContact CD-O 3.47Å; H536-A539 HydrophobicContact CB-CB 4.31Å; H536-A539 WeakPolarHBondContact ND1-CB 3.4Å; H536-A539 PolarHBondContact ND1-N 3.43Å; H536-A539 WeakPolarHBondContact O-CB 2.93Å; H536-A539 PolarHBondContact O-N 2.66Å; Q537-A539 VanDerWaalsContact C-N 3.3Å; Q537-A539 PolarHBondContact O-N 3.33Å; A539-W543 WeakPolarHBondContact O-CB 3.5Å; A539-W543 PolarHBondContact O-N 3.1Å
540	E	94.2	Very high	93.4	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-46.1	171.4	-76.9	-62.7	137.9	0	0	112.1	P103 C104 R426 T535 H536 Q537 W543 R544	P103-E540 HydrophobicContact CB-CG 4.05Å; P103-E540 HydrophobicContact CG-CB 4.37Å; P103-E540 HydrophobicContact CG-CG 3.92Å; C104-E540 WeakPolarHBondContact SG-CB 3.49Å; R426-E540 HydrophobicContact CB-CG 4.31Å; R426-E540 VanDerWaalsContact CB-OE1 3.31Å; R426-E540 WeakPolarHBondContact CB-OE1 3.19Å; R426-E540 WeakPolarHBondContact CD-OE1 3.49Å; R426-E540 WeakPolarHBondContact CG-OE1 3.43Å; R426-E540 IonicContact CZ-OE1 2.71Å; R426-E540 PolarHBondContact N-OE1 2.86Å; R426-E540 IonicContact NH1-OE1 3.28Å; R426-E540 PolarHBondContact NH1-OE1 2.81Å; R426-E540 IonicContact NH1-OE2 2.96Å; T535-E540 HydrophobicContact CG2-CG 4.12Å; H536-E540 PolarHBondContact O-N 3.16Å; Q537-E540 PolarHBondContact O-N 3.28Å; E540-W543 PolarHBondContact O-N 3.42Å; E540-R544 VanDerWaalsContact O-CG 3.28Å; E540-R544 WeakPolarHBondContact O-CG 3.34Å; E540-R544 PolarHBondContact O-N 3.48Å; E540-R544 VanDerWaalsContact O-N 3.12Å
541	L	93.6	Very high	93.4	Very high	15 Å²	15	29.1 Å²	29.1	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-41.3	175.6	-70.7	172.6	0	0	0	112	A24 F25 E28 C104 Q537 E538 W543 R544 E545	A24-L541 HydrophobicContact CB-CD1 4.11Å; F25-L541 HydrophobicContact CD1-CD1 4.24Å; F25-L541 HydrophobicContact CE1-CD1 4.37Å; E28-L541 HydrophobicContact CG-CD1 3.78Å; E28-L541 HydrophobicContact CG-CD2 4.36Å; C104-L541 HydrophobicContact CB-CD2 3.95Å; C104-L541 HydrophobicContact CB-CG 4.19Å; Q537-L541 WeakPolarHBondContact O-CG 3.44Å; Q537-L541 PolarHBondContact O-N 3.39Å; E538-L541 PolarHBondContact O-N 3.18Å; L541-W543 PolarHBondContact O-N 3.28Å; L541-R544 WeakPolarHBondContact O-CB 3.46Å; L541-R544 PolarHBondContact O-N 3.17Å; L541-E545 PolarHBondContact O-N 3.17Å
542	Q	93.1	Very high	93.5	Very high	89 Å²	89	29.2 Å²	29.2	42%	0.416	15%	0.151	S	C	.	.	H	α-helix	trans	-60.4	-44.6	175.8	-176.9	-179.2	-14.9	0	0	111.6	E538 R544 E545 E546	E538-Q542 VanDerWaalsContact O-CB 3.3Å; E538-Q542 WeakPolarHBondContact O-CB 3.4Å; E538-Q542 PolarHBondContact O-N 2.94Å; Q542-R544 VanDerWaalsContact C-N 3.31Å; Q542-R544 PolarHBondContact O-N 3.36Å; Q542-E545 WeakPolarHBondContact O-CA 3.47Å; Q542-E545 VanDerWaalsContact O-CB 3.31Å; Q542-E545 WeakPolarHBondContact O-CB 3.44Å; Q542-E545 PolarHBondContact O-N 3.11Å; Q542-E545 VanDerWaalsContact O-N 3.1Å; Q542-E546 HydrophobicContact CG-CG 4.47Å; Q542-E546 WeakPolarHBondContact CG-OE1 3.45Å; Q542-E546 PolarHBondContact NE2-OE1 3.22Å; Q542-E546 WeakPolarHBondContact O-CG 3.19Å; Q542-E546 PolarHBondContact O-N 3.29Å
543	W	94.9	Very high	93.7	Very high	35 Å²	35	32.5 Å²	32.5	13%	0.133	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-43.3	175.2	169.2	-113	0	0	0	112.4	H385 H387 D404 A539 E540 L541 E545 E546 L547	H385-W543 PolarHBondContact O-NE1 2.89Å; H387-W543 HydrophobicContact CB-CH2 4.33Å; D404-W543 HydrophobicContact CB-CH2 4.07Å; D404-W543 HydrophobicContact CB-CZ2 4.37Å; A539-W543 WeakPolarHBondContact O-CB 3.5Å; A539-W543 PolarHBondContact O-N 3.1Å; E540-W543 PolarHBondContact O-N 3.42Å; L541-W543 PolarHBondContact O-N 3.28Å; W543-E545 VanDerWaalsContact C-N 3.29Å; W543-E545 PolarHBondContact O-N 3.11Å; W543-E546 PolarHBondContact O-N 3.2Å; W543-L547 HydrophobicContact CD2-CD1 4.19Å; W543-L547 HydrophobicContact CD2-CG 4.21Å; W543-L547 VanDerWaalsContact CE2-CD1 3.47Å; W543-L547 HydrophobicContact CH2-CD2 4.06Å; W543-L547 HydrophobicContact CH2-CG 4.36Å; W543-L547 HydrophobicContact CZ2-CD1 3.72Å; W543-L547 HydrophobicContact CZ2-CD2 3.93Å; W543-L547 HydrophobicContact CZ2-CG 3.96Å; W543-L547 WeakPolarHBondContact O-CG 3.31Å; W543-L547 PolarHBondContact O-N 2.93Å
544	R	95.1	Very high	93.9	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-40.2	175.8	-63.2	173.4	-169.5	-162.5	0	111.1	S102 F108 W110 N368 H385 E540 L541 Q542 L548	S102-R544 PolarHBondContact OG-NH2 2.97Å; F108-R544 PolarHBondContact O-NH1 2.85Å; W110-R544 HydrophobicContact CZ2-CB 4.15Å; N368-R544 PolarHBondContact ND2-O 3.17Å; H385-R544 HydrophobicContact CB-CG 4.25Å; E540-R544 VanDerWaalsContact O-CG 3.28Å; E540-R544 WeakPolarHBondContact O-CG 3.34Å; E540-R544 PolarHBondContact O-N 3.48Å; E540-R544 VanDerWaalsContact O-N 3.12Å; L541-R544 WeakPolarHBondContact O-CB 3.46Å; L541-R544 PolarHBondContact O-N 3.17Å; Q542-R544 VanDerWaalsContact C-N 3.31Å; Q542-R544 PolarHBondContact O-N 3.36Å; R544-L548 PolarHBondContact O-N 3.44Å
545	E	93.7	Very high	94	Very high	27 Å²	27	31.9 Å²	31.9	13%	0.126	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-49.2	176.1	-139.6	-168.4	-175	0	0	111.4	R27 L541 Q542 W543 L547 L548 F549	R27-E545 IonicContact CZ-OE2 3.94Å; R27-E545 VanDerWaalsContact NH2-CD 3.33Å; R27-E545 IonicContact NH2-OE1 3.53Å; R27-E545 PolarHBondContact NH2-OE1 3.35Å; R27-E545 IonicContact NH2-OE2 3.22Å; R27-E545 PolarHBondContact NH2-OE2 3.26Å; L541-E545 PolarHBondContact O-N 3.17Å; Q542-E545 WeakPolarHBondContact O-CA 3.47Å; Q542-E545 VanDerWaalsContact O-CB 3.31Å; Q542-E545 WeakPolarHBondContact O-CB 3.44Å; Q542-E545 PolarHBondContact O-N 3.11Å; Q542-E545 VanDerWaalsContact O-N 3.1Å; W543-E545 VanDerWaalsContact C-N 3.29Å; W543-E545 PolarHBondContact O-N 3.11Å; E545-L547 VanDerWaalsContact C-N 3.32Å; E545-L547 PolarHBondContact O-N 2.97Å; E545-L548 WeakPolarHBondContact O-CB 3.3Å; E545-L548 PolarHBondContact O-N 3.17Å; E545-L548 VanDerWaalsContact O-N 3.11Å; E545-F549 HydrophobicContact CB-CE2 4Å; E545-F549 HydrophobicContact CG-CD2 4.33Å; E545-F549 HydrophobicContact CG-CE2 3.39Å; E545-F549 HydrophobicContact CG-CZ 3.6Å; E545-F549 WeakPolarHBondContact O-CD2 3.24Å; E545-F549 WeakPolarHBondContact O-CE2 3.35Å; E545-F549 WeakPolarHBondContact O-CG 3.23Å; E545-F549 PolarHBondContact O-N 3.37Å
546	E	94.9	Very high	94.1	Very high	87 Å²	87	31.1 Å²	31.1	41%	0.407	14%	0.144	S	C	.	.	H	α-helix	trans	-57.2	-43.9	177.9	-73	170.9	-174.1	0	0	111.8	Q542 W543 F549 L550	Q542-E546 HydrophobicContact CG-CG 4.47Å; Q542-E546 WeakPolarHBondContact CG-OE1 3.45Å; Q542-E546 PolarHBondContact NE2-OE1 3.22Å; Q542-E546 WeakPolarHBondContact O-CG 3.19Å; Q542-E546 PolarHBondContact O-N 3.29Å; W543-E546 PolarHBondContact O-N 3.2Å; E546-F549 PolarHBondContact O-N 3.02Å; E546-L550 WeakPolarHBondContact O-CB 3.41Å; E546-L550 PolarHBondContact O-N 2.88Å
547	L	95.5	Very high	94.2	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-40.9	174.8	-74.6	179.4	0	0	0	112.9	H385 H387 W543 E545 F549 L550 A551	H385-L547 HydrophobicContact CB-CD1 4.23Å; H385-L547 VanDerWaalsContact O-CD1 3.26Å; H385-L547 WeakPolarHBondContact O-CD1 3.37Å; H387-L547 HydrophobicContact CB-CD2 3.85Å; W543-L547 HydrophobicContact CD2-CD1 4.19Å; W543-L547 HydrophobicContact CD2-CG 4.21Å; W543-L547 VanDerWaalsContact CE2-CD1 3.47Å; W543-L547 HydrophobicContact CH2-CD2 4.06Å; W543-L547 HydrophobicContact CH2-CG 4.36Å; W543-L547 HydrophobicContact CZ2-CD1 3.72Å; W543-L547 HydrophobicContact CZ2-CD2 3.93Å; W543-L547 HydrophobicContact CZ2-CG 3.96Å; W543-L547 WeakPolarHBondContact O-CG 3.31Å; W543-L547 PolarHBondContact O-N 2.93Å; E545-L547 VanDerWaalsContact C-N 3.32Å; E545-L547 PolarHBondContact O-N 2.97Å; L547-F549 VanDerWaalsContact C-N 3.27Å; L547-F549 PolarHBondContact O-N 3.28Å; L547-L550 HydrophobicContact CD2-CD2 4.48Å; L547-L550 PolarHBondContact O-N 3.42Å; L547-A551 VanDerWaalsContact O-CB 3.28Å; L547-A551 WeakPolarHBondContact O-CB 3.18Å; L547-A551 PolarHBondContact O-N 2.69Å
548	L	95.2	Very high	94.2	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-44.8	176.2	178	63.1	0	0	0	110.4	W110 L350 N368 R544 E545 G552 V574	W110-L548 HydrophobicContact CH2-CD2 4.48Å; L350-L548 HydrophobicContact CB-CD1 3.94Å; L350-L548 HydrophobicContact CD1-CD1 4Å; L350-L548 HydrophobicContact CD2-CD1 4.44Å; L350-L548 HydrophobicContact CG-CD1 4.37Å; N368-L548 VanDerWaalsContact OD1-CA 3.26Å; N368-L548 WeakPolarHBondContact OD1-CA 3.39Å; N368-L548 VanDerWaalsContact OD1-CB 3.31Å; N368-L548 WeakPolarHBondContact OD1-CB 3.31Å; N368-L548 PolarHBondContact OD1-N 3.02Å; R544-L548 PolarHBondContact O-N 3.44Å; E545-L548 WeakPolarHBondContact O-CB 3.3Å; E545-L548 PolarHBondContact O-N 3.17Å; E545-L548 VanDerWaalsContact O-N 3.11Å; L548-G552 PolarHBondContact O-N 3.4Å; L548-V574 HydrophobicContact CD2-CG1 4.03Å; L548-V574 HydrophobicContact CG-CG1 4.38Å
549	F	95.4	Very high	94.2	Very high	13 Å²	13	29 Å²	29	6%	0.057	14%	0.139	C	C	.	.	H	α-helix	trans	-69.7	-41.7	178.6	-58.2	-52.1	0	0	0	112.5	E545 E546 L547 G552 R553 V574 Q580	E545-F549 HydrophobicContact CB-CE2 4Å; E545-F549 HydrophobicContact CG-CD2 4.33Å; E545-F549 HydrophobicContact CG-CE2 3.39Å; E545-F549 HydrophobicContact CG-CZ 3.6Å; E545-F549 WeakPolarHBondContact O-CD2 3.24Å; E545-F549 WeakPolarHBondContact O-CE2 3.35Å; E545-F549 WeakPolarHBondContact O-CG 3.23Å; E545-F549 PolarHBondContact O-N 3.37Å; E546-F549 PolarHBondContact O-N 3.02Å; L547-F549 VanDerWaalsContact C-N 3.27Å; L547-F549 PolarHBondContact O-N 3.28Å; F549-G552 PolarHBondContact O-N 3.28Å; F549-R553 WeakPolarHBondContact O-CB 3.43Å; F549-R553 VanDerWaalsContact O-CG 3.3Å; F549-R553 WeakPolarHBondContact O-CG 3.35Å; F549-R553 PolarHBondContact O-N 3.1Å; F549-V574 HydrophobicContact CD1-CG1 3.87Å; F549-V574 HydrophobicContact CE1-CG1 3.51Å; F549-V574 WeakPolarHBondContact CE1-O 3.46Å; F549-Q580 HydrophobicContact CB-CB 4.37Å; F549-Q580 HydrophobicContact CB-CG 3.96Å; F549-Q580 HydrophobicContact CD1-CB 4.22Å; F549-Q580 HydrophobicContact CD1-CG 3.99Å; F549-Q580 HydrophobicContact CD2-CB 4.35Å; F549-Q580 HydrophobicContact CD2-CG 3.3Å; F549-Q580 HydrophobicContact CE1-CG 4.32Å; F549-Q580 HydrophobicContact CE2-CG 3.65Å; F549-Q580 HydrophobicContact CG-CB 4.09Å; F549-Q580 HydrophobicContact CG-CG 3.49Å; F549-Q580 VanDerWaalsContact CG-CG 3.49Å; F549-Q580 HydrophobicContact CZ-CG 4.19Å
550	L	95.6	Very high	94.2	Very high	43 Å²	43	27.9 Å²	27.9	23%	0.225	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-51.7	175.7	177.6	62	0	0	0	111.1	A370 E546 L547 G552 R553 K554	A370-L550 HydrophobicContact CB-CD2 4.1Å; A370-L550 HydrophobicContact CB-CG 4.5Å; E546-L550 WeakPolarHBondContact O-CB 3.41Å; E546-L550 PolarHBondContact O-N 2.88Å; L547-L550 HydrophobicContact CD2-CD2 4.48Å; L547-L550 PolarHBondContact O-N 3.42Å; L550-G552 VanDerWaalsContact C-N 3.34Å; L550-G552 PolarHBondContact O-N 3.39Å; L550-R553 PolarHBondContact O-N 2.92Å; L550-K554 HydrophobicContact CD1-CD 4.45Å; L550-K554 WeakPolarHBondContact O-CG 3.35Å; L550-K554 PolarHBondContact O-N 2.95Å
551	A	94.9	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-42.5	178.6	0	0	0	0	0	111.2	H352 L547 R553 K554 R555	H352-A551 HydrophobicContact CB-CB 3.89Å; L547-A551 VanDerWaalsContact O-CB 3.28Å; L547-A551 WeakPolarHBondContact O-CB 3.18Å; L547-A551 PolarHBondContact O-N 2.69Å; A551-R553 PolarHBondContact O-N 3.39Å; A551-K554 PolarHBondContact O-N 2.86Å; A551-R555 WeakPolarHBondContact O-CB 3.48Å; A551-R555 WeakPolarHBondContact O-CG 3.38Å; A551-R555 PolarHBondContact O-N 2.97Å
552	G	94.6	Very high	93.9	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-42	175.3	0	0	0	0	0	113.6	L548 F549 L550 T556 C571	L548-G552 PolarHBondContact O-N 3.4Å; F549-G552 PolarHBondContact O-N 3.28Å; L550-G552 VanDerWaalsContact C-N 3.34Å; L550-G552 PolarHBondContact O-N 3.39Å; G552-T556 WeakPolarHBondContact O-CB 3.27Å; G552-T556 PolarHBondContact O-N 2.85Å; G552-T556 PolarHBondContact O-OG1 2.91Å; G552-C571 PolarHBondContact O-SG 3.38Å
553	R	95.3	Very high	93.7	Very high	78 Å²	78	38.5 Å²	38.5	29%	0.294	18%	0.184	S	C	.	.	H	α-helix	trans	-63.6	-44.7	175	-77.9	173.3	58.2	-156.2	-3.1	111.9	F549 L550 A551 T556 A557 A583 L584 T587	F549-R553 WeakPolarHBondContact O-CB 3.43Å; F549-R553 VanDerWaalsContact O-CG 3.3Å; F549-R553 WeakPolarHBondContact O-CG 3.35Å; F549-R553 PolarHBondContact O-N 3.1Å; L550-R553 PolarHBondContact O-N 2.92Å; A551-R553 PolarHBondContact O-N 3.39Å; R553-T556 WeakPolarHBondContact O-CB 3.44Å; R553-T556 PolarHBondContact O-N 3.34Å; R553-A557 PolarHBondContact O-N 3.06Å; R553-A583 PolarHBondContact NE-O 2.93Å; R553-L584 HydrophobicContact CG-CD1 4.39Å; R553-T587 PolarHBondContact NE-OG1 3.29Å; R553-T587 PolarHBondContact NH2-OG1 3.08Å
554	K	94.3	Very high	93.6	Very high	45 Å²	45	39.3 Å²	39.3	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-44	177.7	-69.3	-176.6	174.6	177.1	0	112	H352 D372 L550 A551 T556 A557 D558	H352-K554 HydrophobicContact CB-CB 4.12Å; H352-K554 VanDerWaalsContact CD2-CB 3.4Å; H352-K554 WeakPolarHBondContact CD2-CB 3.48Å; H352-K554 VanDerWaalsContact ND1-CD 3.33Å; H352-K554 WeakPolarHBondContact ND1-CD 3.41Å; D372-K554 IonicContact OD1-NZ 3.51Å; D372-K554 PolarHBondContact OD1-NZ 3.18Å; D372-K554 IonicContact OD2-NZ 3.49Å; D372-K554 PolarHBondContact OD2-NZ 2.95Å; L550-K554 HydrophobicContact CD1-CD 4.45Å; L550-K554 WeakPolarHBondContact O-CG 3.35Å; L550-K554 PolarHBondContact O-N 2.95Å; A551-K554 PolarHBondContact O-N 2.86Å; K554-T556 VanDerWaalsContact C-N 3.26Å; K554-T556 PolarHBondContact O-N 3.09Å; K554-A557 WeakPolarHBondContact O-CB 3.41Å; K554-A557 PolarHBondContact O-N 3.02Å; K554-D558 PolarHBondContact O-N 2.97Å
555	R	93.1	Very high	93.6	Very high	53 Å²	53	43.2 Å²	43.2	20%	0.2	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-39.3	171.3	-74.6	-165.8	-59	-85	2.7	112.5	L350 S351 H352 A551 A559	L350-R555 PolarHBondContact O-NH1 2.67Å; S351-R555 VanDerWaalsContact C-NH1 3.3Å; S351-R555 WeakPolarHBondContact O-CD 3.17Å; S351-R555 PolarHBondContact O-NH1 3.35Å; H352-R555 HydrophobicContact CB-CG 4.36Å; A551-R555 WeakPolarHBondContact O-CB 3.48Å; A551-R555 WeakPolarHBondContact O-CG 3.38Å; A551-R555 PolarHBondContact O-N 2.97Å; R555-A559 WeakPolarHBondContact O-CB 3.41Å; R555-A559 PolarHBondContact O-N 3.17Å
556	T	94.5	Very high	93.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-44.8	175	-64.5	0	0	0	0	110.8	G552 R553 K554 L560 L568 F572 L584 L588	G552-T556 WeakPolarHBondContact O-CB 3.27Å; G552-T556 PolarHBondContact O-N 2.85Å; G552-T556 PolarHBondContact O-OG1 2.91Å; R553-T556 WeakPolarHBondContact O-CB 3.44Å; R553-T556 PolarHBondContact O-N 3.34Å; K554-T556 VanDerWaalsContact C-N 3.26Å; K554-T556 PolarHBondContact O-N 3.09Å; T556-L560 HydrophobicContact CG2-CD1 3.84Å; T556-L560 WeakPolarHBondContact O-CB 3.45Å; T556-L560 WeakPolarHBondContact O-CD1 3.31Å; T556-L560 VanDerWaalsContact O-CG 3.28Å; T556-L560 WeakPolarHBondContact O-CG 3.49Å; T556-L560 PolarHBondContact O-N 3.18Å; T556-L560 VanDerWaalsContact O-N 3.13Å; T556-L568 HydrophobicContact CG2-CD1 4.22Å; T556-F572 HydrophobicContact CG2-CE1 3.9Å; T556-L584 HydrophobicContact CG2-CD1 4.23Å; T556-L588 HydrophobicContact CG2-CD2 3.94Å
557	A	93.9	Very high	93.4	Very high	15 Å²	15	43.2 Å²	43.2	12%	0.124	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-50.3	177.3	0	0	0	0	0	111.9	R553 K554 A559 L560 Q561 T587 I591	R553-A557 PolarHBondContact O-N 3.06Å; K554-A557 WeakPolarHBondContact O-CB 3.41Å; K554-A557 PolarHBondContact O-N 3.02Å; A557-A559 PolarHBondContact O-N 3.09Å; A557-L560 PolarHBondContact O-N 3.37Å; A557-Q561 WeakPolarHBondContact O-CB 3.46Å; A557-Q561 VanDerWaalsContact O-CG 3.32Å; A557-Q561 WeakPolarHBondContact O-CG 3.28Å; A557-Q561 PolarHBondContact O-N 2.8Å; A557-T587 HydrophobicContact CB-CG2 4.39Å; A557-I591 HydrophobicContact CB-CD1 3.83Å
558	D	91.8	Very high	93.3	Very high	59 Å²	59	43.4 Å²	43.4	32%	0.316	22%	0.223	S	C	.	.	H	α-helix	trans	-61.2	-45.7	179.1	-66.5	-3	0	0	0	111.4	H352 K554 L560 Q561 S562	H352-D558 IonicContact CD2-OD2 3.87Å; H352-D558 PolarHBondContact CD2-OD2 3.35Å; H352-D558 IonicContact CE1-OD2 2.73Å; H352-D558 IonicContact NE2-OD1 2.9Å; H352-D558 IonicContact NE2-OD2 3.75Å; H352-D558 PolarHBondContact NE2-OD2 2.93Å; K554-D558 PolarHBondContact O-N 2.97Å; D558-L560 VanDerWaalsContact C-N 3.29Å; D558-L560 PolarHBondContact O-N 3.24Å; D558-Q561 PolarHBondContact O-N 2.64Å; D558-S562 WeakPolarHBondContact O-CB 3.28Å; D558-S562 PolarHBondContact O-N 3.25Å; D558-S562 PolarHBondContact O-OG 3.44Å
559	A	92.6	Very high	93.3	Very high	6 Å²	6	44 Å²	44	5%	0.05	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-38.3	179.5	0	0	0	0	0	112.7	R555 A557 R563 T564 V566 L568	R555-A559 WeakPolarHBondContact O-CB 3.41Å; R555-A559 PolarHBondContact O-N 3.17Å; A557-A559 PolarHBondContact O-N 3.09Å; A559-R563 CarbonylContact O-C 3.38Å; A559-R563 WeakPolarHBondContact O-CA 3.49Å; A559-R563 PolarHBondContact O-N 3.35Å; A559-T564 WeakPolarHBondContact CA-OG1 3.4Å; A559-T564 WeakPolarHBondContact CB-OG1 3.33Å; A559-T564 PolarHBondContact O-N 2.94Å; A559-V566 HydrophobicContact CB-CB 4.45Å; A559-L568 HydrophobicContact CB-CD2 3.98Å
560	L	93.3	Very high	93.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-75.5	-44.1	178.7	-69.7	166.3	0	0	0	111.9	T556 A557 D558 R563 L568 L588 I591 R611	T556-L560 HydrophobicContact CG2-CD1 3.84Å; T556-L560 WeakPolarHBondContact O-CB 3.45Å; T556-L560 WeakPolarHBondContact O-CD1 3.31Å; T556-L560 VanDerWaalsContact O-CG 3.28Å; T556-L560 WeakPolarHBondContact O-CG 3.49Å; T556-L560 PolarHBondContact O-N 3.18Å; T556-L560 VanDerWaalsContact O-N 3.13Å; A557-L560 PolarHBondContact O-N 3.37Å; D558-L560 VanDerWaalsContact C-N 3.29Å; D558-L560 PolarHBondContact O-N 3.24Å; L560-R563 PolarHBondContact O-N 3.04Å; L560-L568 HydrophobicContact CD1-CD1 4.28Å; L560-L568 HydrophobicContact CD2-CD1 3.93Å; L560-L568 HydrophobicContact CG-CD1 3.89Å; L560-L588 HydrophobicContact CD1-CD2 3.48Å; L560-L588 VanDerWaalsContact CD1-CD2 3.48Å; L560-I591 HydrophobicContact CB-CG2 4.28Å; L560-I591 HydrophobicContact CD1-CD1 4.11Å; L560-R611 HydrophobicContact CD2-CG 3.83Å
561	Q	90.1	Very high	93	Very high	116 Å²	116	43.3 Å²	43.3	54%	0.542	23%	0.226	S	C	.	.	H	α-helix	trans	-69.7	-41.8	-179.3	-70.7	177.8	-8.2	0	0	112.1	A557 D558 R563 I591	A557-Q561 WeakPolarHBondContact O-CB 3.46Å; A557-Q561 VanDerWaalsContact O-CG 3.32Å; A557-Q561 WeakPolarHBondContact O-CG 3.28Å; A557-Q561 PolarHBondContact O-N 2.8Å; D558-Q561 PolarHBondContact O-N 2.64Å; Q561-R563 VanDerWaalsContact C-N 3.28Å; Q561-I591 HydrophobicContact CG-CG2 4.28Å
562	S	89.7	Confident	93	Very high	89 Å²	89	43.4 Å²	43.4	62%	0.622	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.3	175.1	-55.9	0	0	0	0	113.5	D558 T564	D558-S562 WeakPolarHBondContact O-CB 3.28Å; D558-S562 PolarHBondContact O-N 3.25Å; D558-S562 PolarHBondContact O-OG 3.44Å; S562-T564 VanDerWaalsContact C-N 3.29Å; S562-T564 PolarHBondContact O-N 3Å
563	R	90.5	Very high	93	Very high	126 Å²	126	47.1 Å²	47.1	48%	0.475	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	38.6	177.6	-52.8	-179.5	-169.3	153.8	13.8	113.9	A559 L560 Q561 A604 V608	A559-R563 CarbonylContact O-C 3.38Å; A559-R563 WeakPolarHBondContact O-CA 3.49Å; A559-R563 PolarHBondContact O-N 3.35Å; L560-R563 PolarHBondContact O-N 3.04Å; Q561-R563 VanDerWaalsContact C-N 3.28Å; R563-A604 PolarHBondContact NH2-O 2.95Å; R563-V608 HydrophobicContact CG-CG2 3.99Å
564	T	92.6	Very high	92.9	Very high	52 Å²	52	43.8 Å²	43.8	32%	0.319	23%	0.228	S	C	.	.			trans	-73.5	157.7	179	69.7	0	0	0	0	111.3	A559 S562 V566 R611	A559-T564 WeakPolarHBondContact CA-OG1 3.4Å; A559-T564 WeakPolarHBondContact CB-OG1 3.33Å; A559-T564 PolarHBondContact O-N 2.94Å; S562-T564 VanDerWaalsContact C-N 3.29Å; S562-T564 PolarHBondContact O-N 3Å; T564-V566 PolarHBondContact O-N 2.84Å; T564-R611 PolarHBondContact O-NH1 3.35Å; T564-R611 PolarHBondContact O-NH2 2.88Å
565	D	93.4	Very high	92.8	Very high	84 Å²	84	42 Å²	42	45%	0.449	22%	0.222	S	C	.	.			trans	-84.9	22.3	178.1	-67.1	-35	0	0	0	113.6	C567 R960 V965	D565-C567 PolarHBondContact O-N 2.92Å; D565-R960 WeakPolarHBondContact O-CB 3.27Å; D565-R960 WeakPolarHBondContact OD1-CD 3.38Å; D565-R960 IonicContact OD1-CZ 3.61Å; D565-R960 IonicContact OD1-NE 3.37Å; D565-R960 PolarHBondContact OD1-NE 3.23Å; D565-R960 IonicContact OD1-NH2 3.52Å; D565-V965 HydrophobicContact CB-CG1 3.91Å; D565-V965 HydrophobicContact CB-CG2 4.3Å
566	V	91.6	Very high	92.9	Very high	84 Å²	84	40.5 Å²	40.5	51%	0.509	22%	0.218	S	C	.	.			trans	-70.7	130.9	177.3	177.8	0	0	0	0	110.4	A559 T564 L568 R611	A559-V566 HydrophobicContact CB-CB 4.45Å; T564-V566 PolarHBondContact O-N 2.84Å; V566-L568 HydrophobicContact CG1-CD2 4.45Å; V566-L568 PolarHBondContact O-N 3.3Å; V566-R611 PolarHBondContact O-NH2 2.63Å
567	C	94.1	Very high	92.7	Very high	30 Å²	30	44.1 Å²	44.1	20%	0.203	24%	0.235	C	C	.	.			trans	-73.9	118.8	173.1	-174.9	0	0	0	0	110.9	D565 S959 R960 P962	D565-C567 PolarHBondContact O-N 2.92Å; C567-S959 WeakPolarHBondContact CA-O 3.48Å; C567-S959 PolarHBondContact SG-O 2.9Å; C567-R960 VanDerWaalsContact CB-O 3.24Å; C567-R960 WeakPolarHBondContact CB-O 3.22Å; C567-P962 HydrophobicContact CB-CG 4.39Å
568	L	93.5	Very high	92.5	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.042	24%	0.238	C	C	.	.			trans	-94.8	-11.4	-174.8	-62.5	171.3	0	0	0	113.9	T556 A559 L560 V566 P570 C571 F572	T556-L568 HydrophobicContact CG2-CD1 4.22Å; A559-L568 HydrophobicContact CB-CD2 3.98Å; L560-L568 HydrophobicContact CD1-CD1 4.28Å; L560-L568 HydrophobicContact CD2-CD1 3.93Å; L560-L568 HydrophobicContact CG-CD1 3.89Å; V566-L568 HydrophobicContact CG1-CD2 4.45Å; V566-L568 PolarHBondContact O-N 3.3Å; L568-P570 VanDerWaalsContact C-CD 3.49Å; L568-C571 WeakPolarHBondContact O-CB 3.34Å; L568-C571 PolarHBondContact O-N 3Å; L568-F572 HydrophobicContact CB-CD1 4.41Å; L568-F572 HydrophobicContact CB-CE1 3.68Å; L568-F572 HydrophobicContact CB-CE2 3.9Å; L568-F572 HydrophobicContact CB-CZ 3.38Å; L568-F572 HydrophobicContact CD1-CZ 4.06Å; L568-F572 HydrophobicContact CG-CZ 4.35Å; L568-F572 WeakPolarHBondContact O-CD1 3.26Å; L568-F572 WeakPolarHBondContact O-CG 3.04Å; L568-F572 PolarHBondContact O-N 3.28Å
569	L	94.2	Very high	92.5	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-55.3	-41.5	-179.3	-74.1	173.7	0	0	0	114.4	C571 F572 R573 D618 L961	L569-C571 VanDerWaalsContact C-N 3.28Å; L569-C571 PolarHBondContact O-N 2.74Å; L569-F572 HydrophobicContact CD2-CD2 4.25Å; L569-F572 PolarHBondContact O-N 3Å; L569-R573 WeakPolarHBondContact O-CG 3.21Å; L569-R573 PolarHBondContact O-N 2.91Å; L569-D618 HydrophobicContact CD2-CB 3.65Å; L569-L961 HydrophobicContact CD1-CD2 3.67Å
570	P	92.6	Very high	92.6	Very high	27 Å²	27	46.8 Å²	46.8	18%	0.175	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-37.8	176.2	-24.7	36.3	0	0	0	112.7	Q121 L568 V574	Q121-P570 HydrophobicContact CB-CB 3.96Å; Q121-P570 PolarHBondContact N-O 2.86Å; L568-P570 VanDerWaalsContact C-CD 3.49Å; P570-V574 WeakPolarHBondContact O-CG2 3.2Å; P570-V574 PolarHBondContact O-N 2.99Å
571	C	92.8	Very high	92.8	Very high	14 Å²	14	49.3 Å²	49.3	10%	0.095	27%	0.271	C	S	.	.	H	α-helix	trans	-68.5	-40.7	176.6	-175.7	0	0	0	0	111.6	G552 L568 L569 R573 V574 A575	G552-C571 PolarHBondContact O-SG 3.38Å; L568-C571 WeakPolarHBondContact O-CB 3.34Å; L568-C571 PolarHBondContact O-N 3Å; L569-C571 VanDerWaalsContact C-N 3.28Å; L569-C571 PolarHBondContact O-N 2.74Å; C571-R573 PolarHBondContact O-N 3.43Å; C571-V574 WeakPolarHBondContact O-CB 3.29Å; C571-V574 PolarHBondContact O-N 2.7Å; C571-A575 PolarHBondContact O-N 3.16Å
572	F	95.4	Very high	93.1	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-42.6	178.2	-60	-13.6	0	0	0	112.1	T556 L568 L569 V574 A575 V576 L584 C615 D618 V619	T556-F572 HydrophobicContact CG2-CE1 3.9Å; L568-F572 HydrophobicContact CB-CD1 4.41Å; L568-F572 HydrophobicContact CB-CE1 3.68Å; L568-F572 HydrophobicContact CB-CE2 3.9Å; L568-F572 HydrophobicContact CB-CZ 3.38Å; L568-F572 HydrophobicContact CD1-CZ 4.06Å; L568-F572 HydrophobicContact CG-CZ 4.35Å; L568-F572 WeakPolarHBondContact O-CD1 3.26Å; L568-F572 WeakPolarHBondContact O-CG 3.04Å; L568-F572 PolarHBondContact O-N 3.28Å; L569-F572 HydrophobicContact CD2-CD2 4.25Å; L569-F572 PolarHBondContact O-N 3Å; F572-V574 VanDerWaalsContact C-N 3.33Å; F572-V574 PolarHBondContact O-N 3.12Å; F572-A575 PolarHBondContact O-N 3.41Å; F572-V576 WeakPolarHBondContact O-CG2 3.46Å; F572-V576 PolarHBondContact O-N 2.88Å; F572-L584 HydrophobicContact CB-CD2 4.34Å; F572-L584 HydrophobicContact CD1-CD1 4.29Å; F572-L584 HydrophobicContact CD1-CD2 3.64Å; F572-L584 HydrophobicContact CD1-CG 4.47Å; F572-L584 HydrophobicContact CE1-CD1 4.28Å; F572-L584 HydrophobicContact CE1-CD2 4.35Å; F572-L584 HydrophobicContact CG-CD2 4.26Å; F572-C615 HydrophobicContact CE2-CB 3.62Å; F572-C615 HydrophobicContact CZ-CB 3.59Å; F572-D618 HydrophobicContact CD2-CB 4.08Å; F572-D618 HydrophobicContact CE2-CB 4.33Å; F572-V619 HydrophobicContact CB-CG2 4.01Å; F572-V619 HydrophobicContact CD1-CG2 4.14Å; F572-V619 HydrophobicContact CD2-CG2 3.92Å; F572-V619 HydrophobicContact CE2-CG2 4.45Å; F572-V619 HydrophobicContact CG-CG2 3.76Å
573	R	94	Very high	93.4	Very high	81 Å²	81	42.2 Å²	42.2	31%	0.306	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-40.4	177.6	-71.5	164.7	178.5	156	5.5	111.9	K119 V120 L569 C571 V576 Q577	K119-R573 WeakPolarHBondContact O-CD 3.41Å; K119-R573 PolarHBondContact O-NH1 2.83Å; V120-R573 HydrophobicContact CG1-CB 4.31Å; V120-R573 HydrophobicContact CG2-CB 3.97Å; L569-R573 WeakPolarHBondContact O-CG 3.21Å; L569-R573 PolarHBondContact O-N 2.91Å; C571-R573 PolarHBondContact O-N 3.43Å; R573-V576 PolarHBondContact O-N 3.07Å; R573-Q577 WeakPolarHBondContact O-CB 3.37Å; R573-Q577 VanDerWaalsContact O-CG 3.25Å; R573-Q577 WeakPolarHBondContact O-CG 3.42Å; R573-Q577 PolarHBondContact O-N 2.9Å
574	V	92.1	Very high	93.7	Very high	8 Å²	8	36.3 Å²	36.3	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-51.7	173.5	164.9	0	0	0	0	111.4	V120 Q121 L548 F549 P570 C571 F572 V576 Q577 G578	V120-V574 HydrophobicContact CG1-CB 4.42Å; V120-V574 HydrophobicContact CG1-CG2 3.39Å; Q121-V574 HydrophobicContact CB-CG2 3.83Å; Q121-V574 WeakPolarHBondContact O-CG2 3.34Å; L548-V574 HydrophobicContact CD2-CG1 4.03Å; L548-V574 HydrophobicContact CG-CG1 4.38Å; F549-V574 HydrophobicContact CD1-CG1 3.87Å; F549-V574 HydrophobicContact CE1-CG1 3.51Å; F549-V574 WeakPolarHBondContact CE1-O 3.46Å; P570-V574 WeakPolarHBondContact O-CG2 3.2Å; P570-V574 PolarHBondContact O-N 2.99Å; C571-V574 WeakPolarHBondContact O-CB 3.29Å; C571-V574 PolarHBondContact O-N 2.7Å; F572-V574 VanDerWaalsContact C-N 3.33Å; F572-V574 PolarHBondContact O-N 3.12Å; V574-V576 VanDerWaalsContact C-N 3.3Å; V574-V576 PolarHBondContact O-N 3.44Å; V574-Q577 PolarHBondContact O-N 3.37Å; V574-G578 PolarHBondContact O-N 3.27Å
575	A	93.9	Very high	94	Very high	7 Å²	7	34 Å²	34	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-42.7	-178.9	0	0	0	0	0	111.6	C571 F572 G578 G579 Q580 L584	C571-A575 PolarHBondContact O-N 3.16Å; F572-A575 PolarHBondContact O-N 3.41Å; A575-G578 CarbonylContact O-C 3.53Å; A575-G578 PolarHBondContact O-N 3.09Å; A575-G579 PolarHBondContact O-N 2.97Å; A575-G579 VanDerWaalsContact O-N 3.16Å; A575-Q580 HydrophobicContact CB-CB 4.33Å; A575-Q580 WeakPolarHBondContact O-CA 3.49Å; A575-Q580 PolarHBondContact O-N 3.35Å; A575-L584 HydrophobicContact CB-CB 4.42Å; A575-L584 HydrophobicContact CB-CD2 3.68Å
576	V	94.1	Very high	94.2	Very high	22 Å²	22	36.2 Å²	36.2	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-46.8	177.1	172	0	0	0	0	111.8	F572 R573 V574 G578 G579 Q581 V619 C622 M623	F572-V576 WeakPolarHBondContact O-CG2 3.46Å; F572-V576 PolarHBondContact O-N 2.88Å; R573-V576 PolarHBondContact O-N 3.07Å; V574-V576 VanDerWaalsContact C-N 3.3Å; V574-V576 PolarHBondContact O-N 3.44Å; V576-G578 PolarHBondContact O-N 3.21Å; V576-G579 PolarHBondContact O-N 3.41Å; V576-G579 VanDerWaalsContact O-N 3.13Å; V576-Q581 HydrophobicContact CG2-CB 3.95Å; V576-Q581 PolarHBondContact O-OE1 3.38Å; V576-V619 HydrophobicContact CG2-CG1 4.07Å; V576-C622 HydrophobicContact CB-CB 4.36Å; V576-C622 HydrophobicContact CG1-CB 4.46Å; V576-C622 HydrophobicContact CG2-CB 3.9Å; V576-M623 HydrophobicContact CG1-CB 4.41Å; V576-M623 HydrophobicContact CG1-CG 3.97Å; V576-M623 HydrophobicContact CG2-CG 3.84Å
577	Q	90.3	Very high	94.4	Very high	76 Å²	76	33.3 Å²	33.3	36%	0.355	20%	0.195	S	C	.	.	H	α-helix	trans	-62.7	-29.7	178.6	-74.7	-178.1	-5.1	0	0	112.6	R573 V574	R573-Q577 WeakPolarHBondContact O-CB 3.37Å; R573-Q577 VanDerWaalsContact O-CG 3.25Å; R573-Q577 WeakPolarHBondContact O-CG 3.42Å; R573-Q577 PolarHBondContact O-N 2.9Å; V574-Q577 PolarHBondContact O-N 3.37Å
578	G	89.4	Confident	94.5	Very high	18 Å²	18	31.9 Å²	31.9	19%	0.186	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	4.6	176.5	0	0	0	0	0	115.8	V574 A575 V576 Q580	V574-G578 PolarHBondContact O-N 3.27Å; A575-G578 CarbonylContact O-C 3.53Å; A575-G578 PolarHBondContact O-N 3.09Å; V576-G578 PolarHBondContact O-N 3.21Å; G578-Q580 VanDerWaalsContact C-N 3.28Å; G578-Q580 PolarHBondContact O-N 3.5Å
579	G	92.7	Very high	94.7	Very high	47 Å²	47	32 Å²	32	49%	0.485	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	11.6	179.8	0	0	0	0	0	115.5	A575 V576 Q581	A575-G579 PolarHBondContact O-N 2.97Å; A575-G579 VanDerWaalsContact O-N 3.16Å; V576-G579 PolarHBondContact O-N 3.41Å; V576-G579 VanDerWaalsContact O-N 3.13Å; G579-Q581 PolarHBondContact O-OE1 3.3Å
580	Q	95.2	Very high	94.7	Very high	72 Å²	72	34.5 Å²	34.5	34%	0.336	21%	0.205	S	C	.	.			trans	-95.9	13.5	-178.4	-64.6	-57.9	-47.2	0	0	114.3	F549 A575 G578 G582 A583 L584	F549-Q580 HydrophobicContact CB-CB 4.37Å; F549-Q580 HydrophobicContact CB-CG 3.96Å; F549-Q580 HydrophobicContact CD1-CB 4.22Å; F549-Q580 HydrophobicContact CD1-CG 3.99Å; F549-Q580 HydrophobicContact CD2-CB 4.35Å; F549-Q580 HydrophobicContact CD2-CG 3.3Å; F549-Q580 HydrophobicContact CE1-CG 4.32Å; F549-Q580 HydrophobicContact CE2-CG 3.65Å; F549-Q580 HydrophobicContact CG-CB 4.09Å; F549-Q580 HydrophobicContact CG-CG 3.49Å; F549-Q580 VanDerWaalsContact CG-CG 3.49Å; F549-Q580 HydrophobicContact CZ-CG 4.19Å; A575-Q580 HydrophobicContact CB-CB 4.33Å; A575-Q580 WeakPolarHBondContact O-CA 3.49Å; A575-Q580 PolarHBondContact O-N 3.35Å; G578-Q580 VanDerWaalsContact C-N 3.28Å; G578-Q580 PolarHBondContact O-N 3.5Å; Q580-G582 PolarHBondContact O-N 3.12Å; Q580-A583 PolarHBondContact O-N 2.83Å; Q580-L584 PolarHBondContact O-N 3.41Å
581	Q	95.8	Very high	94.8	Very high	54 Å²	54	34.1 Å²	34.1	25%	0.252	20%	0.202	S	C	.	.	H	α-helix	trans	-57.7	-32.3	178.9	62.5	-78.4	-6.7	0	0	113.6	V576 G579 L584 L585 V619 M623	V576-Q581 HydrophobicContact CG2-CB 3.95Å; V576-Q581 PolarHBondContact O-OE1 3.38Å; G579-Q581 PolarHBondContact O-OE1 3.3Å; Q581-L584 PolarHBondContact O-N 3.36Å; Q581-L585 WeakPolarHBondContact O-CB 3.26Å; Q581-L585 WeakPolarHBondContact O-CG 3.5Å; Q581-L585 PolarHBondContact O-N 2.92Å; Q581-V619 HydrophobicContact CB-CG1 4.23Å; Q581-M623 HydrophobicContact CB-CG 4.22Å; Q581-M623 HydrophobicContact CB-SD 4.05Å; Q581-M623 HydrophobicContact CG-CE 3.96Å; Q581-M623 HydrophobicContact CG-CG 4.16Å; Q581-M623 HydrophobicContact CG-SD 3.87Å
582	G	96.6	Very high	94.9	Very high	36 Å²	36	33.4 Å²	33.4	37%	0.371	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-56.5	-179.9	0	0	0	0	0	112.1	Q580 L584 L585 E586	Q580-G582 PolarHBondContact O-N 3.12Å; G582-L584 VanDerWaalsContact C-N 3.25Å; G582-L584 PolarHBondContact O-N 2.91Å; G582-L585 PolarHBondContact O-N 2.75Å; G582-L585 VanDerWaalsContact O-N 3.13Å; G582-E586 WeakPolarHBondContact O-CG 3.35Å; G582-E586 PolarHBondContact O-N 2.78Å
583	A	96.4	Very high	94.7	Very high	21 Å²	21	33.6 Å²	33.6	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-31.7	179.2	0	0	0	0	0	112.7	R553 Q580 T587	R553-A583 PolarHBondContact NE-O 2.93Å; Q580-A583 PolarHBondContact O-N 2.83Å; A583-T587 WeakPolarHBondContact O-CB 3.43Å; A583-T587 PolarHBondContact O-N 2.76Å; A583-T587 VanDerWaalsContact O-N 3.14Å; A583-T587 PolarHBondContact O-OG1 2.6Å
584	L	97.4	Very high	94.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-47.3	172.6	177.5	62.2	0	0	0	111.7	R553 T556 F572 A575 Q580 Q581 G582 E586 T587 L588 V619	R553-L584 HydrophobicContact CG-CD1 4.39Å; T556-L584 HydrophobicContact CG2-CD1 4.23Å; F572-L584 HydrophobicContact CB-CD2 4.34Å; F572-L584 HydrophobicContact CD1-CD1 4.29Å; F572-L584 HydrophobicContact CD1-CD2 3.64Å; F572-L584 HydrophobicContact CD1-CG 4.47Å; F572-L584 HydrophobicContact CE1-CD1 4.28Å; F572-L584 HydrophobicContact CE1-CD2 4.35Å; F572-L584 HydrophobicContact CG-CD2 4.26Å; A575-L584 HydrophobicContact CB-CB 4.42Å; A575-L584 HydrophobicContact CB-CD2 3.68Å; Q580-L584 PolarHBondContact O-N 3.41Å; Q581-L584 PolarHBondContact O-N 3.36Å; G582-L584 VanDerWaalsContact C-N 3.25Å; G582-L584 PolarHBondContact O-N 2.91Å; L584-E586 PolarHBondContact O-N 3.47Å; L584-T587 WeakPolarHBondContact O-CB 3.39Å; L584-T587 PolarHBondContact O-N 3.44Å; L584-L588 HydrophobicContact CD1-CD1 4.45Å; L584-L588 HydrophobicContact CD1-CG 4.45Å; L584-L588 HydrophobicContact CG-CD1 4.26Å; L584-L588 WeakPolarHBondContact O-CG 3.37Å; L584-L588 PolarHBondContact O-N 3.3Å; L584-V619 HydrophobicContact CD2-CG1 4.47Å; L584-V619 HydrophobicContact CD2-CG2 3.7Å; L584-V619 HydrophobicContact CG-CG2 4.29Å
585	L	98.1	Very high	93	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-44.1	177.6	-74.7	170	0	0	0	111.6	Q581 G582 T587 L588 D589 I616 V619 M623	Q581-L585 WeakPolarHBondContact O-CB 3.26Å; Q581-L585 WeakPolarHBondContact O-CG 3.5Å; Q581-L585 PolarHBondContact O-N 2.92Å; G582-L585 PolarHBondContact O-N 2.75Å; G582-L585 VanDerWaalsContact O-N 3.13Å; L585-T587 VanDerWaalsContact C-N 3.3Å; L585-T587 PolarHBondContact O-N 3.43Å; L585-L588 PolarHBondContact O-N 3.41Å; L585-D589 WeakPolarHBondContact O-CB 3.22Å; L585-D589 PolarHBondContact O-N 2.9Å; L585-I616 HydrophobicContact CD2-CB 4.3Å; L585-I616 HydrophobicContact CD2-CG1 4.24Å; L585-I616 HydrophobicContact CD2-CG2 3.71Å; L585-V619 HydrophobicContact CD1-CG1 4.45Å; L585-V619 HydrophobicContact CD2-CB 4.03Å; L585-V619 HydrophobicContact CD2-CG1 3.83Å; L585-V619 HydrophobicContact CG-CG1 3.97Å; L585-M623 HydrophobicContact CD1-SD 4.32Å
586	E	97	Very high	90.8	Very high	130 Å²	130	40.2 Å²	40.2	61%	0.607	25%	0.246	S	C	*	.	H	α-helix	trans	-60.4	-40.3	175.6	-72	170.7	-174.9	0	0	112.3	G582 L584 D589 S590	G582-E586 WeakPolarHBondContact O-CG 3.35Å; G582-E586 PolarHBondContact O-N 2.78Å; L584-E586 PolarHBondContact O-N 3.47Å; E586-D589 PolarHBondContact O-N 2.83Å; E586-S590 WeakPolarHBondContact O-CB 3.35Å; E586-S590 PolarHBondContact O-N 3.29Å
587	T	96.1	Very high	88.4	Confident	23 Å²	23	48.1 Å²	48.1	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-45.3	175.9	-55.8	0	0	0	0	110.3	R553 A557 A583 L584 L585 S590 I591	R553-T587 PolarHBondContact NE-OG1 3.29Å; R553-T587 PolarHBondContact NH2-OG1 3.08Å; A557-T587 HydrophobicContact CB-CG2 4.39Å; A583-T587 WeakPolarHBondContact O-CB 3.43Å; A583-T587 PolarHBondContact O-N 2.76Å; A583-T587 VanDerWaalsContact O-N 3.14Å; A583-T587 PolarHBondContact O-OG1 2.6Å; L584-T587 WeakPolarHBondContact O-CB 3.39Å; L584-T587 PolarHBondContact O-N 3.44Å; L585-T587 VanDerWaalsContact C-N 3.3Å; L585-T587 PolarHBondContact O-N 3.43Å; T587-S590 PolarHBondContact O-N 3.47Å; T587-I591 HydrophobicContact CG2-CD1 3.99Å; T587-I591 WeakPolarHBondContact O-CD1 3.32Å; T587-I591 VanDerWaalsContact O-CG1 3.25Å; T587-I591 WeakPolarHBondContact O-CG1 3.35Å; T587-I591 PolarHBondContact O-N 2.98Å
588	L	97.5	Very high	86.3	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-41.5	177.5	-67	171	0	0	0	112.4	T556 L560 L584 L585 S590 I591 A592 C615 I616 V619	T556-L588 HydrophobicContact CG2-CD2 3.94Å; L560-L588 HydrophobicContact CD1-CD2 3.48Å; L560-L588 VanDerWaalsContact CD1-CD2 3.48Å; L584-L588 HydrophobicContact CD1-CD1 4.45Å; L584-L588 HydrophobicContact CD1-CG 4.45Å; L584-L588 HydrophobicContact CG-CD1 4.26Å; L584-L588 WeakPolarHBondContact O-CG 3.37Å; L584-L588 PolarHBondContact O-N 3.3Å; L585-L588 PolarHBondContact O-N 3.41Å; L588-S590 VanDerWaalsContact C-N 3.34Å; L588-I591 PolarHBondContact O-N 3.32Å; L588-A592 VanDerWaalsContact O-CB 3.28Å; L588-A592 WeakPolarHBondContact O-CB 3.47Å; L588-A592 PolarHBondContact O-N 3.46Å; L588-C615 HydrophobicContact CD1-CB 4.27Å; L588-C615 HydrophobicContact CD2-CB 4.09Å; L588-I616 HydrophobicContact CB-CD1 3.93Å; L588-I616 HydrophobicContact CB-CG1 3.57Å; L588-I616 HydrophobicContact CD1-CG1 3.79Å; L588-I616 HydrophobicContact CG-CG1 4.3Å; L588-V619 HydrophobicContact CD1-CG2 3.94Å
589	D	96.9	Very high	84.1	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.048	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-44.2	175.5	-67.5	-36.6	0	0	0	110.4	L585 E586 I591 A592 A593 I616 V656 R663	L585-D589 WeakPolarHBondContact O-CB 3.22Å; L585-D589 PolarHBondContact O-N 2.9Å; E586-D589 PolarHBondContact O-N 2.83Å; D589-I591 PolarHBondContact O-N 2.79Å; D589-A592 PolarHBondContact O-N 2.72Å; D589-A593 VanDerWaalsContact O-CB 3.28Å; D589-A593 WeakPolarHBondContact O-CB 3.4Å; D589-A593 PolarHBondContact O-N 3.37Å; D589-I616 VanDerWaalsContact OD1-CD1 3.25Å; D589-I616 WeakPolarHBondContact OD1-CD1 3.25Å; D589-V656 HydrophobicContact CB-CG1 4.31Å; D589-V656 WeakPolarHBondContact O-CG1 3.26Å; D589-R663 VanDerWaalsContact CG-NH1 3.35Å; D589-R663 IonicContact OD1-CZ 3.15Å; D589-R663 IonicContact OD1-NH1 2.64Å; D589-R663 PolarHBondContact OD1-NH1 3.29Å; D589-R663 IonicContact OD1-NH2 2.7Å; D589-R663 IonicContact OD2-CZ 2.73Å; D589-R663 VanDerWaalsContact OD2-CZ 3.31Å; D589-R663 IonicContact OD2-NH1 3.4Å; D589-R663 PolarHBondContact OD2-NH1 3.47Å; D589-R663 IonicContact OD2-NH2 3.76Å; D589-R663 PolarHBondContact OD2-NH2 2.91Å
590	S	94.7	Very high	82.2	Confident	72 Å²	72	50.4 Å²	50.4	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-39.7	178.2	-175.9	0	0	0	0	112.5	E586 T587 L588 G594	E586-S590 WeakPolarHBondContact O-CB 3.35Å; E586-S590 PolarHBondContact O-N 3.29Å; T587-S590 PolarHBondContact O-N 3.47Å; L588-S590 VanDerWaalsContact C-N 3.34Å; S590-G594 PolarHBondContact O-N 2.91Å
591	I	94.1	Very high	80.3	Confident	19 Å²	19	53.7 Å²	53.7	10%	0.097	33%	0.328	C	S	.	.	H	α-helix	trans	-70.3	-44.1	177.2	-62.5	159.2	0	0	0	110	A557 L560 Q561 T587 L588 D589 A593 G594 V608 C612	A557-I591 HydrophobicContact CB-CD1 3.83Å; L560-I591 HydrophobicContact CB-CG2 4.28Å; L560-I591 HydrophobicContact CD1-CD1 4.11Å; Q561-I591 HydrophobicContact CG-CG2 4.28Å; T587-I591 HydrophobicContact CG2-CD1 3.99Å; T587-I591 WeakPolarHBondContact O-CD1 3.32Å; T587-I591 VanDerWaalsContact O-CG1 3.25Å; T587-I591 WeakPolarHBondContact O-CG1 3.35Å; T587-I591 PolarHBondContact O-N 2.98Å; L588-I591 PolarHBondContact O-N 3.32Å; D589-I591 PolarHBondContact O-N 2.79Å; I591-A593 VanDerWaalsContact C-N 3.31Å; I591-A593 PolarHBondContact O-N 2.94Å; I591-G594 PolarHBondContact O-N 3.06Å; I591-G594 VanDerWaalsContact O-N 3.13Å; I591-V608 HydrophobicContact CG2-CG1 3.85Å; I591-C612 WeakPolarHBondContact CG2-SG 3.48Å
592	A	94.3	Very high	78.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-37.5	178.6	0	0	0	0	0	112.6	L588 D589 G594 A609 C612 V656	L588-A592 VanDerWaalsContact O-CB 3.28Å; L588-A592 WeakPolarHBondContact O-CB 3.47Å; L588-A592 PolarHBondContact O-N 3.46Å; D589-A592 PolarHBondContact O-N 2.72Å; A592-G594 PolarHBondContact O-N 3.41Å; A592-A609 WeakPolarHBondContact O-CB 3.24Å; A592-C612 HydrophobicContact CB-CB 3.66Å; A592-V656 HydrophobicContact CB-CG1 3.96Å; A592-V656 HydrophobicContact CB-CG2 3.95Å
593	A	92.2	Very high	76.9	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.033	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17	177.8	0	0	0	0	0	113.6	D589 I591 R653 V656 Y657	D589-A593 VanDerWaalsContact O-CB 3.28Å; D589-A593 WeakPolarHBondContact O-CB 3.4Å; D589-A593 PolarHBondContact O-N 3.37Å; I591-A593 VanDerWaalsContact C-N 3.31Å; I591-A593 PolarHBondContact O-N 2.94Å; A593-R653 HydrophobicContact CB-CB 4.5Å; A593-R653 HydrophobicContact CB-CG 4.27Å; A593-V656 HydrophobicContact CB-CB 4.3Å; A593-V656 HydrophobicContact CB-CG1 4.15Å; A593-Y657 HydrophobicContact CB-CE2 4.26Å
594	G	83.8	Confident	75.6	Confident	12 Å²	12	55.5 Å²	55.5	12%	0.124	34%	0.343	C	S	.	.			trans	72.7	153.3	-179.8	0	0	0	0	0	115.2	S590 I591 A592 R653	S590-G594 PolarHBondContact O-N 2.91Å; I591-G594 PolarHBondContact O-N 3.06Å; I591-G594 VanDerWaalsContact O-N 3.13Å; A592-G594 PolarHBondContact O-N 3.41Å; G594-R653 PolarHBondContact O-NH2 2.97Å
595	S	65.6	Low	74.7	Confident	70 Å²	70	58.4 Å²	58.4	49%	0.49	36%	0.356	S	S	.	.			trans	-85.9	150	170.7	61.9	0	0	0	0	111	E597	S595-E597 PolarHBondContact O-N 3.33Å
596	L	49.1	Very low	74.1	Confident	154 Å²	154	59.5 Å²	59.5	81%	0.806	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-15	175.2	-81.5	152.9	0	0	0	112.5
597	E	43.8	Very low	73.7	Confident	187 Å²	187	53.8 Å²	53.8	87%	0.874	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-5.3	-167	-64.5	-178	168.4	0	0	114.1	S595 G599	S595-E597 PolarHBondContact O-N 3.33Å; E597-G599 PolarHBondContact O-N 2.75Å
598	S	45.5	Very low	73.4	Confident	52 Å²	52	53.7 Å²	53.7	36%	0.364	34%	0.338	S	S	.	.			trans	-83.4	107.2	179.8	59.7	0	0	0	0	110.8	A600	S598-A600 PolarHBondContact O-N 2.83Å
599	G	43.9	Very low	73.3	Confident	91 Å²	91	53.7 Å²	53.7	94%	0.938	34%	0.338	S	S	*	.			trans	-66.6	30.5	164.6	0	0	0	0	0	114	E597	E597-G599 PolarHBondContact O-N 2.75Å
600	A	52.3	Low	73.1	Confident	46 Å²	46	53.3 Å²	53.3	38%	0.38	34%	0.336	S	S	.	.			trans	-74.5	146.2	178.3	0	0	0	0	0	110.1	S598	S598-A600 PolarHBondContact O-N 2.83Å
601	E	55.8	Low	73.1	Confident	142 Å²	142	50.2 Å²	50.2	66%	0.664	31%	0.314	S	S	*	.			trans	-58.4	139.9	176.3	-66.2	-160.2	165.5	0	0	111.3	G603 A604 Q605	E601-G603 VanDerWaalsContact C-N 3.3Å; E601-G603 PolarHBondContact O-N 2.74Å; E601-G603 VanDerWaalsContact O-N 3.15Å; E601-A604 HydrophobicContact CB-CB 4.31Å; E601-A604 WeakPolarHBondContact O-CA 3.32Å; E601-A604 WeakPolarHBondContact O-CB 3.39Å; E601-A604 PolarHBondContact O-N 3.22Å; E601-Q605 PolarHBondContact O-N 3.31Å
602	P	60.8	Low	73.3	Confident	105 Å²	105	49.3 Å²	49.3	68%	0.682	31%	0.309	S	S	*	.	H	α-helix	trans	-52.1	-41.4	-174.3	-28.8	33.8	0	0	0	114.6	A604 Q605 V606	P602-A604 VanDerWaalsContact C-N 3.26Å; P602-A604 PolarHBondContact O-N 2.75Å; P602-Q605 PolarHBondContact O-N 3.07Å; P602-V606 WeakPolarHBondContact O-CG2 3.43Å; P602-V606 PolarHBondContact O-N 3.11Å
603	G	60.5	Low	73.4	Confident	23 Å²	23	49.3 Å²	49.3	24%	0.237	31%	0.309	C	S	.	.	H	α-helix	trans	-67	-28.6	179.4	0	0	0	0	0	113.6	E601 Q605 V606 G607 L912	E601-G603 VanDerWaalsContact C-N 3.3Å; E601-G603 PolarHBondContact O-N 2.74Å; E601-G603 VanDerWaalsContact O-N 3.15Å; G603-Q605 VanDerWaalsContact C-N 3.35Å; G603-V606 PolarHBondContact O-N 3.16Å; G603-G607 PolarHBondContact O-N 3.18Å; G603-L912 WeakPolarHBondContact O-CD1 3.43Å
604	A	67.6	Low	73.5	Confident	21 Å²	21	49.4 Å²	49.4	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-70.8	-34.3	-178.7	0	0	0	0	0	111.3	R563 E601 P602 V608	R563-A604 PolarHBondContact NH2-O 2.95Å; E601-A604 HydrophobicContact CB-CB 4.31Å; E601-A604 WeakPolarHBondContact O-CA 3.32Å; E601-A604 WeakPolarHBondContact O-CB 3.39Å; E601-A604 PolarHBondContact O-N 3.22Å; P602-A604 VanDerWaalsContact C-N 3.26Å; P602-A604 PolarHBondContact O-N 2.75Å; A604-V608 WeakPolarHBondContact O-CG2 3.39Å
605	Q	79.8	Confident	74.2	Confident	62 Å²	62	48.9 Å²	48.9	29%	0.29	30%	0.304	S	S	.	.	H	α-helix	trans	-71.4	-38.2	174.5	-170.4	175.1	11.8	0	0	112	E601 P602 G603 V608 A609 L652	E601-Q605 PolarHBondContact O-N 3.31Å; P602-Q605 PolarHBondContact O-N 3.07Å; G603-Q605 VanDerWaalsContact C-N 3.35Å; Q605-V608 PolarHBondContact O-N 3.42Å; Q605-A609 WeakPolarHBondContact O-CB 3.38Å; Q605-A609 PolarHBondContact O-N 2.91Å; Q605-L652 HydrophobicContact CG-CD2 4.11Å
606	V	84.9	Confident	75.7	Confident	28 Å²	28	45.6 Å²	45.6	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-42.3	178.2	176.3	0	0	0	0	111.7	P602 G603 A609 A610 L687 A691	P602-V606 WeakPolarHBondContact O-CG2 3.43Å; P602-V606 PolarHBondContact O-N 3.11Å; G603-V606 PolarHBondContact O-N 3.16Å; V606-A609 PolarHBondContact O-N 3.06Å; V606-A610 WeakPolarHBondContact O-CB 3.34Å; V606-A610 PolarHBondContact O-N 3.06Å; V606-L687 HydrophobicContact CG1-CB 3.83Å; V606-L687 HydrophobicContact CG1-CD2 4.45Å; V606-L687 VanDerWaalsContact CG1-O 3.27Å; V606-L687 WeakPolarHBondContact CG1-O 3.21Å; V606-A691 HydrophobicContact CG1-CB 4.12Å
607	G	87.6	Confident	78	Confident	10 Å²	10	38.2 Å²	38.2	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-44.6	176.5	0	0	0	0	0	113.1	G603 A610 R611	G603-G607 PolarHBondContact O-N 3.18Å; G607-A610 PolarHBondContact O-N 2.8Å; G607-R611 PolarHBondContact O-N 3.29Å
608	V	91.6	Very high	80.5	Confident	20 Å²	20	29.8 Å²	29.8	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-46.2	175.8	174.6	0	0	0	0	110.6	R563 I591 A604 Q605 R611 C612	R563-V608 HydrophobicContact CG-CG2 3.99Å; I591-V608 HydrophobicContact CG2-CG1 3.85Å; A604-V608 WeakPolarHBondContact O-CG2 3.39Å; Q605-V608 PolarHBondContact O-N 3.42Å; V608-R611 PolarHBondContact O-N 3.39Å; V608-C612 PolarHBondContact O-N 2.79Å; V608-C612 PolarHBondContact O-SG 3.39Å
609	A	94.3	Very high	83	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-44.5	178.8	0	0	0	0	0	112.5	A592 Q605 V606 R611 C612 L613 L652 L687	A592-A609 WeakPolarHBondContact O-CB 3.24Å; Q605-A609 WeakPolarHBondContact O-CB 3.38Å; Q605-A609 PolarHBondContact O-N 2.91Å; V606-A609 PolarHBondContact O-N 3.06Å; A609-R611 VanDerWaalsContact C-N 3.34Å; A609-R611 PolarHBondContact O-N 2.89Å; A609-C612 WeakPolarHBondContact O-CB 3.15Å; A609-C612 PolarHBondContact O-N 2.85Å; A609-L613 VanDerWaalsContact O-CG 3.32Å; A609-L613 WeakPolarHBondContact O-CG 3.42Å; A609-L613 PolarHBondContact O-N 2.86Å; A609-L652 HydrophobicContact CB-CD1 3.82Å; A609-L652 HydrophobicContact CB-CD2 4.01Å; A609-L652 HydrophobicContact CB-CG 4.46Å; A609-L687 HydrophobicContact CB-CD1 3.7Å
610	A	93.9	Very high	85.5	Confident	1 Å²	1	23 Å²	23	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-43.8	176.4	0	0	0	0	0	112	V606 G607 L613 S614 L687	V606-A610 WeakPolarHBondContact O-CB 3.34Å; V606-A610 PolarHBondContact O-N 3.06Å; G607-A610 PolarHBondContact O-N 2.8Å; A610-L613 PolarHBondContact O-N 3.47Å; A610-S614 PolarHBondContact O-N 3.28Å; A610-L687 HydrophobicContact CB-CB 4.08Å; A610-L687 HydrophobicContact CB-CD1 4.39Å
611	R	94.6	Very high	87.6	Confident	6 Å²	6	23.2 Å²	23.2	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-44.2	174.2	-174.4	175.1	174.6	-166.4	-8.1	111.7	L560 T564 V566 G607 V608 A609 L613 S614 C615 Y958	L560-R611 HydrophobicContact CD2-CG 3.83Å; T564-R611 PolarHBondContact O-NH1 3.35Å; T564-R611 PolarHBondContact O-NH2 2.88Å; V566-R611 PolarHBondContact O-NH2 2.63Å; G607-R611 PolarHBondContact O-N 3.29Å; V608-R611 PolarHBondContact O-N 3.39Å; A609-R611 VanDerWaalsContact C-N 3.34Å; A609-R611 PolarHBondContact O-N 2.89Å; R611-L613 PolarHBondContact O-N 2.91Å; R611-S614 WeakPolarHBondContact O-CB 2.75Å; R611-S614 PolarHBondContact O-N 3.19Å; R611-C615 PolarHBondContact O-N 3.12Å; R611-C615 PolarHBondContact O-SG 3.38Å; R611-Y958 HydrophobicContact CB-CD1 3.71Å; R611-Y958 HydrophobicContact CB-CE1 4.05Å; R611-Y958 HydrophobicContact CB-CG 4.49Å; R611-Y958 HydrophobicContact CG-CD1 3.89Å; R611-Y958 HydrophobicContact CG-CG 4.48Å; R611-Y958 PolarHBondContact NE-O 3.47Å
612	C	96.4	Very high	89.4	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-43.6	177.4	-67.4	0	0	0	0	112.3	I591 A592 V608 A609 S614 C615 I616	I591-C612 WeakPolarHBondContact CG2-SG 3.48Å; A592-C612 HydrophobicContact CB-CB 3.66Å; V608-C612 PolarHBondContact O-N 2.79Å; V608-C612 PolarHBondContact O-SG 3.39Å; A609-C612 WeakPolarHBondContact O-CB 3.15Å; A609-C612 PolarHBondContact O-N 2.85Å; C612-S614 VanDerWaalsContact C-N 3.32Å; C612-S614 PolarHBondContact O-N 3.13Å; C612-C615 CarbonylContact O-C 3.53Å; C612-C615 WeakPolarHBondContact O-CB 3.4Å; C612-C615 PolarHBondContact O-N 3.21Å; C612-C615 VanDerWaalsContact O-N 3.12Å; C612-I616 WeakPolarHBondContact O-CG1 3.39Å; C612-I616 PolarHBondContact O-N 3.46Å
613	L	96.8	Very high	91.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-40.5	175.9	-66	173.9	0	0	0	111.5	A609 A610 R611 I616 A617 V656 L659 Y680 A683 L687	A609-L613 VanDerWaalsContact O-CG 3.32Å; A609-L613 WeakPolarHBondContact O-CG 3.42Å; A609-L613 PolarHBondContact O-N 2.86Å; A610-L613 PolarHBondContact O-N 3.47Å; R611-L613 PolarHBondContact O-N 2.91Å; L613-I616 HydrophobicContact CD2-CD1 4.36Å; L613-I616 PolarHBondContact O-N 3.18Å; L613-A617 PolarHBondContact O-N 3.47Å; L613-A617 VanDerWaalsContact O-N 3.09Å; L613-V656 HydrophobicContact CD2-CG2 4.47Å; L613-L659 HydrophobicContact CD1-CD1 4.48Å; L613-L659 HydrophobicContact CD2-CD1 3.66Å; L613-Y680 HydrophobicContact CB-CD1 4.26Å; L613-Y680 HydrophobicContact CD2-CD1 3.6Å; L613-Y680 HydrophobicContact CD2-CE1 3.77Å; L613-A683 HydrophobicContact CD1-CB 3.79Å; L613-L687 HydrophobicContact CD1-CD1 3.71Å; L613-L687 HydrophobicContact CD1-CG 4.5Å
614	S	95.6	Very high	92.8	Very high	7 Å²	7	13.3 Å²	13.3	5%	0.049	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-40.4	172.4	-172.8	0	0	0	0	112.2	A610 R611 C612 A617 D618 Y958	A610-S614 PolarHBondContact O-N 3.28Å; R611-S614 WeakPolarHBondContact O-CB 2.75Å; R611-S614 PolarHBondContact O-N 3.19Å; C612-S614 VanDerWaalsContact C-N 3.32Å; C612-S614 PolarHBondContact O-N 3.13Å; S614-A617 WeakPolarHBondContact O-CB 3.39Å; S614-A617 PolarHBondContact O-N 2.84Å; S614-D618 PolarHBondContact O-N 3.03Å; S614-Y958 WeakPolarHBondContact OG-CB 3.49Å
615	C	97	Very high	93.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-63.7	-39.5	175.2	-70.2	0	0	0	0	112.3	F572 L588 R611 C612 A617 D618 V619	F572-C615 HydrophobicContact CE2-CB 3.62Å; F572-C615 HydrophobicContact CZ-CB 3.59Å; L588-C615 HydrophobicContact CD1-CB 4.27Å; L588-C615 HydrophobicContact CD2-CB 4.09Å; R611-C615 PolarHBondContact O-N 3.12Å; R611-C615 PolarHBondContact O-SG 3.38Å; C612-C615 CarbonylContact O-C 3.53Å; C612-C615 WeakPolarHBondContact O-CB 3.4Å; C612-C615 PolarHBondContact O-N 3.21Å; C612-C615 VanDerWaalsContact O-N 3.12Å; C615-A617 VanDerWaalsContact C-N 3.29Å; C615-A617 PolarHBondContact O-N 3.31Å; C615-D618 WeakPolarHBondContact O-CB 3.49Å; C615-D618 PolarHBondContact O-N 3.5Å; C615-D618 VanDerWaalsContact O-N 3.09Å; C615-V619 WeakPolarHBondContact O-CG2 3.4Å; C615-V619 PolarHBondContact O-N 3.3Å
616	I	98	Very high	94.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-44.1	173.5	-70.5	162.4	0	0	0	110.3	L585 L588 D589 C612 L613 D618 V619 L620 Y680	L585-I616 HydrophobicContact CD2-CB 4.3Å; L585-I616 HydrophobicContact CD2-CG1 4.24Å; L585-I616 HydrophobicContact CD2-CG2 3.71Å; L588-I616 HydrophobicContact CB-CD1 3.93Å; L588-I616 HydrophobicContact CB-CG1 3.57Å; L588-I616 HydrophobicContact CD1-CG1 3.79Å; L588-I616 HydrophobicContact CG-CG1 4.3Å; D589-I616 VanDerWaalsContact OD1-CD1 3.25Å; D589-I616 WeakPolarHBondContact OD1-CD1 3.25Å; C612-I616 WeakPolarHBondContact O-CG1 3.39Å; C612-I616 PolarHBondContact O-N 3.46Å; L613-I616 HydrophobicContact CD2-CD1 4.36Å; L613-I616 PolarHBondContact O-N 3.18Å; I616-D618 VanDerWaalsContact C-N 3.26Å; I616-D618 PolarHBondContact O-N 3.35Å; I616-V619 PolarHBondContact O-N 2.55Å; I616-L620 HydrophobicContact CG2-CD1 4.18Å; I616-L620 HydrophobicContact CG2-CG 4.49Å; I616-L620 WeakPolarHBondContact O-CG 3.49Å; I616-L620 PolarHBondContact O-N 2.82Å; I616-Y680 HydrophobicContact CB-CD1 3.83Å; I616-Y680 HydrophobicContact CB-CE1 4Å; I616-Y680 HydrophobicContact CB-CG 4.39Å; I616-Y680 HydrophobicContact CD1-CD1 4.13Å; I616-Y680 HydrophobicContact CD1-CE1 3.71Å; I616-Y680 HydrophobicContact CG1-CE1 4.43Å; I616-Y680 HydrophobicContact CG2-CD1 3.53Å; I616-Y680 HydrophobicContact CG2-CD2 4.03Å; I616-Y680 HydrophobicContact CG2-CE1 3.44Å; I616-Y680 VanDerWaalsContact CG2-CE1 3.44Å; I616-Y680 HydrophobicContact CG2-CE2 3.93Å; I616-Y680 HydrophobicContact CG2-CG 3.85Å
617	A	96.7	Very high	94.4	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-35.2	175.4	0	0	0	0	0	112.2	L613 S614 C615 V621 R631 A677 E681	L613-A617 PolarHBondContact O-N 3.47Å; L613-A617 VanDerWaalsContact O-N 3.09Å; S614-A617 WeakPolarHBondContact O-CB 3.39Å; S614-A617 PolarHBondContact O-N 2.84Å; C615-A617 VanDerWaalsContact C-N 3.29Å; C615-A617 PolarHBondContact O-N 3.31Å; A617-V621 VanDerWaalsContact O-CG2 3.32Å; A617-V621 WeakPolarHBondContact O-CG2 3.44Å; A617-V621 PolarHBondContact O-N 3.04Å; A617-R631 VanDerWaalsContact C-NH1 3.29Å; A617-R631 PolarHBondContact O-NH1 3.23Å; A617-A677 HydrophobicContact CB-CB 3.9Å; A617-A677 WeakPolarHBondContact CB-O 3.45Å; A617-A677 WeakPolarHBondContact O-CB 3.47Å; A617-E681 HydrophobicContact CB-CG 4.43Å
618	D	96.5	Very high	94.3	Very high	9 Å²	9	25 Å²	25	5%	0.048	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-39.9	173.8	-68.3	-17.3	0	0	0	112.7	L569 F572 S614 C615 I616 V621 C622 R631 S959	L569-D618 HydrophobicContact CD2-CB 3.65Å; F572-D618 HydrophobicContact CD2-CB 4.08Å; F572-D618 HydrophobicContact CE2-CB 4.33Å; S614-D618 PolarHBondContact O-N 3.03Å; C615-D618 WeakPolarHBondContact O-CB 3.49Å; C615-D618 PolarHBondContact O-N 3.5Å; C615-D618 VanDerWaalsContact O-N 3.09Å; I616-D618 VanDerWaalsContact C-N 3.26Å; I616-D618 PolarHBondContact O-N 3.35Å; D618-V621 PolarHBondContact O-N 2.83Å; D618-C622 PolarHBondContact O-N 2.96Å; D618-C622 PolarHBondContact O-SG 3.14Å; D618-R631 IonicContact OD1-CZ 3.53Å; D618-R631 IonicContact OD1-NH1 3.16Å; D618-R631 PolarHBondContact OD1-NH1 3.08Å; D618-R631 IonicContact OD1-NH2 2.65Å; D618-S959 PolarHBondContact OD2-OG 3.5Å
619	V	97.8	Very high	94.1	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-46.7	173.6	175.2	0	0	0	0	110.4	F572 V576 Q581 L584 L585 L588 C615 I616 V621 C622 M623	F572-V619 HydrophobicContact CB-CG2 4.01Å; F572-V619 HydrophobicContact CD1-CG2 4.14Å; F572-V619 HydrophobicContact CD2-CG2 3.92Å; F572-V619 HydrophobicContact CE2-CG2 4.45Å; F572-V619 HydrophobicContact CG-CG2 3.76Å; V576-V619 HydrophobicContact CG2-CG1 4.07Å; Q581-V619 HydrophobicContact CB-CG1 4.23Å; L584-V619 HydrophobicContact CD2-CG1 4.47Å; L584-V619 HydrophobicContact CD2-CG2 3.7Å; L584-V619 HydrophobicContact CG-CG2 4.29Å; L585-V619 HydrophobicContact CD1-CG1 4.45Å; L585-V619 HydrophobicContact CD2-CB 4.03Å; L585-V619 HydrophobicContact CD2-CG1 3.83Å; L585-V619 HydrophobicContact CG-CG1 3.97Å; L588-V619 HydrophobicContact CD1-CG2 3.94Å; C615-V619 WeakPolarHBondContact O-CG2 3.4Å; C615-V619 PolarHBondContact O-N 3.3Å; I616-V619 PolarHBondContact O-N 2.55Å; V619-V621 VanDerWaalsContact C-N 3.33Å; V619-V621 PolarHBondContact O-N 3.1Å; V619-C622 WeakPolarHBondContact O-CB 3.44Å; V619-C622 PolarHBondContact O-N 3.26Å; V619-C622 VanDerWaalsContact O-N 3.1Å; V619-M623 HydrophobicContact CG1-SD 4.21Å; V619-M623 WeakPolarHBondContact O-CG 3.41Å; V619-M623 PolarHBondContact O-N 2.95Å
620	L	97.4	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-39.9	177.5	-69.3	172.6	0	0	0	112.5	I616 M623 A624 R663 L667 L673 A676 A677 Y680	I616-L620 HydrophobicContact CG2-CD1 4.18Å; I616-L620 HydrophobicContact CG2-CG 4.49Å; I616-L620 WeakPolarHBondContact O-CG 3.49Å; I616-L620 PolarHBondContact O-N 2.82Å; L620-M623 HydrophobicContact CD2-SD 4.12Å; L620-M623 WeakPolarHBondContact O-CB 3.41Å; L620-M623 PolarHBondContact O-N 3.38Å; L620-A624 PolarHBondContact O-N 3.49Å; L620-R663 HydrophobicContact CD1-CG 4.49Å; L620-R663 HydrophobicContact CD2-CG 4.3Å; L620-L667 HydrophobicContact CD2-CD2 3.59Å; L620-L673 HydrophobicContact CD2-CD2 3.75Å; L620-A676 HydrophobicContact CD1-CB 3.97Å; L620-A677 HydrophobicContact CB-CB 4.08Å; L620-A677 HydrophobicContact CD1-CB 4.38Å; L620-Y680 HydrophobicContact CD1-CD2 3.95Å; L620-Y680 HydrophobicContact CD1-CE2 4.19Å
621	V	95.4	Very high	93.1	Very high	51 Å²	51	34.5 Å²	34.5	31%	0.309	21%	0.208	S	C	.	.	H	α-helix	trans	-66.8	-38.8	174.4	171	0	0	0	0	111.5	A617 D618 V619 M623 A624 A677	A617-V621 VanDerWaalsContact O-CG2 3.32Å; A617-V621 WeakPolarHBondContact O-CG2 3.44Å; A617-V621 PolarHBondContact O-N 3.04Å; D618-V621 PolarHBondContact O-N 2.83Å; V619-V621 VanDerWaalsContact C-N 3.33Å; V619-V621 PolarHBondContact O-N 3.1Å; V621-M623 VanDerWaalsContact C-N 3.33Å; V621-A624 WeakPolarHBondContact O-CB 3.37Å; V621-A624 PolarHBondContact O-N 3.14Å; V621-A677 HydrophobicContact CG2-CB 3.98Å
622	C	94.9	Very high	92.2	Very high	24 Å²	24	37.3 Å²	37.3	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-41.9	174.5	-67.9	0	0	0	0	111.2	V576 D618 V619 A624 E625	V576-C622 HydrophobicContact CB-CB 4.36Å; V576-C622 HydrophobicContact CG1-CB 4.46Å; V576-C622 HydrophobicContact CG2-CB 3.9Å; D618-C622 PolarHBondContact O-N 2.96Å; D618-C622 PolarHBondContact O-SG 3.14Å; V619-C622 WeakPolarHBondContact O-CB 3.44Å; V619-C622 PolarHBondContact O-N 3.26Å; V619-C622 VanDerWaalsContact O-N 3.1Å; C622-A624 PolarHBondContact O-N 3.43Å; C622-E625 PolarHBondContact O-N 3.37Å; C622-E625 VanDerWaalsContact O-N 3.11Å
623	M	96.3	Very high	90.7	Very high	37 Å²	37	37.7 Å²	37.7	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-27.9	175	-66.9	169	64.6	0	0	113	V576 Q581 L585 V619 L620 V621 E625 L667 L673	V576-M623 HydrophobicContact CG1-CB 4.41Å; V576-M623 HydrophobicContact CG1-CG 3.97Å; V576-M623 HydrophobicContact CG2-CG 3.84Å; Q581-M623 HydrophobicContact CB-CG 4.22Å; Q581-M623 HydrophobicContact CB-SD 4.05Å; Q581-M623 HydrophobicContact CG-CE 3.96Å; Q581-M623 HydrophobicContact CG-CG 4.16Å; Q581-M623 HydrophobicContact CG-SD 3.87Å; L585-M623 HydrophobicContact CD1-SD 4.32Å; V619-M623 HydrophobicContact CG1-SD 4.21Å; V619-M623 WeakPolarHBondContact O-CG 3.41Å; V619-M623 PolarHBondContact O-N 2.95Å; L620-M623 HydrophobicContact CD2-SD 4.12Å; L620-M623 WeakPolarHBondContact O-CB 3.41Å; L620-M623 PolarHBondContact O-N 3.38Å; V621-M623 VanDerWaalsContact C-N 3.33Å; M623-E625 VanDerWaalsContact C-N 3.26Å; M623-E625 PolarHBondContact O-N 2.88Å; M623-L667 HydrophobicContact CE-CD2 4.21Å; M623-L673 HydrophobicContact CB-CD1 3.72Å; M623-L673 HydrophobicContact CB-CD2 4.3Å; M623-L673 HydrophobicContact CE-CD2 3.8Å; M623-L673 HydrophobicContact SD-CD2 4.33Å
624	A	95.3	Very high	89.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.008	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10	178.1	0	0	0	0	0	113.6	L620 V621 C622 G626 K627 P670 L673 V674	L620-A624 PolarHBondContact O-N 3.49Å; V621-A624 WeakPolarHBondContact O-CB 3.37Å; V621-A624 PolarHBondContact O-N 3.14Å; C622-A624 PolarHBondContact O-N 3.43Å; A624-G626 PolarHBondContact O-N 3.14Å; A624-K627 WeakPolarHBondContact O-CB 3.32Å; A624-K627 PolarHBondContact O-N 3.42Å; A624-P670 HydrophobicContact CB-CB 4.13Å; A624-L673 HydrophobicContact CB-CB 4.15Å; A624-L673 HydrophobicContact CB-CD1 4.28Å; A624-V674 HydrophobicContact CB-CG2 3.85Å
625	E	89.6	Confident	88.3	Confident	135 Å²	135	40.8 Å²	40.8	63%	0.631	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	32.3	177.6	-59.1	-178.7	166.8	0	0	114.5	C622 M623 K627	C622-E625 PolarHBondContact O-N 3.37Å; C622-E625 VanDerWaalsContact O-N 3.11Å; M623-E625 VanDerWaalsContact C-N 3.26Å; M623-E625 PolarHBondContact O-N 2.88Å; E625-K627 PolarHBondContact O-N 2.98Å; E625-K627 IonicContact OE2-NZ 2.94Å; E625-K627 PolarHBondContact OE2-NZ 3.45Å
626	G	87.1	Confident	87.4	Confident	75 Å²	75	45.4 Å²	45.4	77%	0.773	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	3.5	-176.6	0	0	0	0	0	115.6	A624	A624-G626 PolarHBondContact O-N 3.14Å
627	K	90.2	Very high	87	Confident	147 Å²	147	48.3 Å²	48.3	64%	0.639	31%	0.308	S	S	*	.			trans	-89.6	-5.7	-178	-61.9	166.1	-176.9	156.3	0	114	A624 E625 P670	A624-K627 WeakPolarHBondContact O-CB 3.32Å; A624-K627 PolarHBondContact O-N 3.42Å; E625-K627 PolarHBondContact O-N 2.98Å; E625-K627 IonicContact OE2-NZ 2.94Å; E625-K627 PolarHBondContact OE2-NZ 3.45Å; K627-P670 HydrophobicContact CB-CB 3.8Å; K627-P670 HydrophobicContact CB-CG 3.96Å
628	G	84.2	Confident	86.8	Confident	11 Å²	11	56.2 Å²	56.2	11%	0.113	35%	0.346	C	S	.	.	S	Bend	trans	-94.8	3.4	-174.1	0	0	0	0	0	116.6	P670	G628-P670 WeakPolarHBondContact CA-O 3.08Å
629	G	87.6	Confident	86.7	Confident	60 Å²	60	57.9 Å²	57.9	62%	0.619	36%	0.361	S	S	*	.			trans	79.4	-165.4	-176.1	0	0	0	0	0	114.1
630	L	82.2	Confident	86.6	Confident	135 Å²	135	57.9 Å²	57.9	71%	0.707	36%	0.361	S	S	*	.			trans	-78.6	139.1	-175.4	-67.7	173.5	0	0	0	112.3	S632 R678	L630-S632 VanDerWaalsContact C-N 3.33Å; L630-S632 PolarHBondContact O-N 3.29Å; L630-S632 VanDerWaalsContact O-N 3.12Å; L630-R678 PolarHBondContact O-NH2 2.8Å
631	R	85.7	Confident	86.4	Confident	25 Å²	25	60.9 Å²	60.9	9%	0.094	38%	0.382	C	S	.	.			trans	-84.6	75.9	170.1	-174.1	171.5	158.4	-163.8	-13	109.9	A617 D618 V674 R678 E681 R955	A617-R631 VanDerWaalsContact C-NH1 3.29Å; A617-R631 PolarHBondContact O-NH1 3.23Å; D618-R631 IonicContact OD1-CZ 3.53Å; D618-R631 IonicContact OD1-NH1 3.16Å; D618-R631 PolarHBondContact OD1-NH1 3.08Å; D618-R631 IonicContact OD1-NH2 2.65Å; R631-V674 HydrophobicContact CB-CG1 4.26Å; R631-R678 HydrophobicContact CG-CG 4.23Å; R631-E681 IonicContact CZ-OE1 2.77Å; R631-E681 IonicContact NE-OE1 3.99Å; R631-E681 PolarHBondContact NE-OE1 3.26Å; R631-E681 IonicContact NE-OE2 2.85Å; R631-E681 PolarHBondContact NE-OE2 3.38Å; R631-E681 IonicContact NH2-OE1 2.97Å; R631-E681 PolarHBondContact NH2-OE1 3.46Å; R631-R955 PolarHBondContact O-NH2 3.03Å
632	S	75.6	Confident	86.4	Confident	66 Å²	66	61.9 Å²	61.9	46%	0.462	39%	0.39	S	S	.	.			trans	-105.5	123.7	-177.9	-54.9	0	0	0	0	112	L630	L630-S632 VanDerWaalsContact C-N 3.33Å; L630-S632 PolarHBondContact O-N 3.29Å; L630-S632 VanDerWaalsContact O-N 3.12Å
633	G	65.4	Low	86.4	Confident	8 Å²	8	60.8 Å²	60.8	8%	0.082	38%	0.383	C	S	.	.	S	Bend	trans	77.9	150.5	173.5	0	0	0	0	0	114.6	R678 Q951	G633-R678 WeakPolarHBondContact O-CB 3.49Å; G633-R678 WeakPolarHBondContact O-CG 3.23Å; G633-Q951 VanDerWaalsContact CA-OE1 3.26Å
634	P	64.5	Low	86.3	Confident	45 Å²	45	60.5 Å²	60.5	29%	0.292	38%	0.38	S	S	.	.			trans	-64.6	146.5	156	32.5	-36.8	0	0	0	108.7	Q685	P634-Q685 VanDerWaalsContact CG-OE1 3.3Å
635	A	76.6	Confident	86.2	Confident	26 Å²	26	66.1 Å²	66.1	22%	0.215	41%	0.405	C	S	.	.			trans	-108.9	143.9	177.8	0	0	0	0	0	110.3	Y644 R678 H679	A635-Y644 PolarHBondContact O-OH 3Å; A635-R678 HydrophobicContact CB-CB 3.82Å; A635-H679 WeakPolarHBondContact CB-CE1 3.47Å; A635-H679 PolarHBondContact O-CE1 3.12Å; A635-H679 VanDerWaalsContact O-CE1 3.26Å; A635-H679 PolarHBondContact O-ND1 3.01Å
636	A	78.8	Confident	86.5	Confident	99 Å²	99	61.8 Å²	61.8	82%	0.818	39%	0.386	S	S	*	.			trans	-121.3	57.7	-178.1	0	0	0	0	0	110.7
637	N	90.2	Very high	86.8	Confident	60 Å²	60	58.3 Å²	58.3	32%	0.321	35%	0.349	S	S	.	.			trans	-78.3	132.5	176.6	179.4	-77.9	0	0	0	108	A639 W640 H679	N637-A639 PolarHBondContact O-N 2.82Å; N637-A639 VanDerWaalsContact O-N 3.08Å; N637-A639 VanDerWaalsContact OD1-CB 3.22Å; N637-A639 WeakPolarHBondContact OD1-CB 3.3Å; N637-A639 PolarHBondContact OD1-N 3.43Å; N637-W640 PolarHBondContact O-N 3.26Å; N637-H679 WeakPolarHBondContact CB-CE1 3.25Å; N637-H679 WeakPolarHBondContact CB-NE2 3.47Å; N637-H679 PolarHBondContact N-CE1 3.39Å; N637-H679 VanDerWaalsContact N-CE1 3.26Å
638	E	91.4	Very high	86.8	Confident	167 Å²	167	55.8 Å²	55.8	78%	0.78	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-55.1	-31.5	-173.7	-170.5	176.9	-178.3	0	0	113.3	W640 S641	E638-W640 PolarHBondContact O-N 3.45Å; E638-W640 VanDerWaalsContact O-N 3.07Å; E638-S641 VanDerWaalsContact O-CB 3.24Å; E638-S641 WeakPolarHBondContact O-CB 3.41Å; E638-S641 PolarHBondContact O-N 3Å; E638-S641 PolarHBondContact O-OG 3.43Å
639	A	94.8	Very high	87	Confident	44 Å²	44	61.2 Å²	61.2	36%	0.364	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-65.8	-13.5	179.8	0	0	0	0	0	114	N637 Q662	N637-A639 PolarHBondContact O-N 2.82Å; N637-A639 VanDerWaalsContact O-N 3.08Å; N637-A639 VanDerWaalsContact OD1-CB 3.22Å; N637-A639 WeakPolarHBondContact OD1-CB 3.3Å; N637-A639 PolarHBondContact OD1-N 3.43Å; A639-Q662 VanDerWaalsContact CB-NE2 3.25Å
640	W	95.6	Very high	87	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-102.8	-4	176.7	-61.3	79.7	0	0	0	112.8	N637 E638 S642 A643 Y644 L659 Q662 R663 W666 A676 H679 Y680	N637-W640 PolarHBondContact O-N 3.26Å; E638-W640 PolarHBondContact O-N 3.45Å; E638-W640 VanDerWaalsContact O-N 3.07Å; W640-S642 PolarHBondContact O-N 2.94Å; W640-A643 WeakPolarHBondContact O-CB 3.36Å; W640-A643 PolarHBondContact O-N 3.45Å; W640-Y644 HydrophobicContact CB-CE2 4.49Å; W640-Y644 PolarHBondContact O-N 3.05Å; W640-L659 HydrophobicContact CE3-CD2 3.62Å; W640-L659 HydrophobicContact CZ3-CB 4.34Å; W640-L659 HydrophobicContact CZ3-CD2 3.95Å; W640-L659 WeakPolarHBondContact CZ3-O 3.37Å; W640-Q662 HydrophobicContact CD2-CB 4.3Å; W640-Q662 HydrophobicContact CD2-CG 3.55Å; W640-Q662 HydrophobicContact CE3-CB 4.03Å; W640-Q662 HydrophobicContact CE3-CG 3.8Å; W640-Q662 HydrophobicContact CG-CG 4.05Å; W640-Q662 HydrophobicContact CH2-CB 4.29Å; W640-Q662 HydrophobicContact CH2-CG 4.1Å; W640-Q662 HydrophobicContact CZ2-CG 3.84Å; W640-Q662 HydrophobicContact CZ3-CB 4.02Å; W640-Q662 HydrophobicContact CZ3-CG 4.07Å; W640-R663 HydrophobicContact CH2-CB 4Å; W640-W666 AromaticContact CZ2-CD1 3.8Å; W640-W666 HydrophobicContact CZ2-CD2 4.17Å; W640-W666 AromaticContact CZ2-CG 3.98Å; W640-W666 HydrophobicContact CZ2-CG 3.98Å; W640-W666 AromaticContact CZ2-NE1 3.91Å; W640-W666 AromaticContact NE1-CE2 3.52Å; W640-W666 AromaticContact NE1-CZ2 3.5Å; W640-W666 AromaticContact NE1-NE1 3.7Å; W640-A676 HydrophobicContact CH2-CB 4.14Å; W640-A676 HydrophobicContact CZ2-CB 4.02Å; W640-H679 AromaticContact CD1-CD2 3.5Å; W640-H679 AromaticContact CD1-CE1 3.77Å; W640-H679 AromaticContact CD1-CG 3.68Å; W640-H679 AromaticContact CD1-ND1 3.82Å; W640-H679 AromaticContact CD1-NE2 3.6Å; W640-H679 HydrophobicContact CD2-CB 3.62Å; W640-H679 AromaticContact CD2-CD2 3.88Å; W640-H679 AromaticContact CD2-CG 3.65Å; W640-H679 AromaticContact CE2-CD2 3.44Å; W640-H679 VanDerWaalsContact CE2-CD2 3.44Å; W640-H679 AromaticContact CE2-CG 3.71Å; W640-H679 HydrophobicContact CE3-CB 3.79Å; W640-H679 HydrophobicContact CG-CB 4.01Å; W640-H679 AromaticContact CG-CD2 3.9Å; W640-H679 AromaticContact CG-CG 3.62Å; W640-H679 AromaticContact CG-ND1 3.81Å; W640-H679 HydrophobicContact CH2-CB 4.43Å; W640-H679 HydrophobicContact CZ2-CB 4.3Å; W640-H679 HydrophobicContact CZ3-CB 4.2Å; W640-H679 AromaticContact NE1-CD2 3.18Å; W640-H679 PolarHBondContact NE1-CD2 3.28Å; W640-H679 AromaticContact NE1-CG 3.71Å; W640-H679 AromaticContact NE1-NE2 3.55Å; W640-Y680 HydrophobicContact CH2-CE2 4.09Å; W640-Y680 HydrophobicContact CZ3-CD2 4.39Å; W640-Y680 AromaticContact CZ3-CE2 3.94Å; W640-Y680 HydrophobicContact CZ3-CE2 3.94Å
641	S	92.6	Very high	87.4	Confident	63 Å²	63	58.1 Å²	58.1	44%	0.441	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-38.9	-172.7	61.1	0	0	0	0	113.4	E638 A643 Y644 F645	E638-S641 VanDerWaalsContact O-CB 3.24Å; E638-S641 WeakPolarHBondContact O-CB 3.41Å; E638-S641 PolarHBondContact O-N 3Å; E638-S641 PolarHBondContact O-OG 3.43Å; S641-A643 VanDerWaalsContact C-N 3.28Å; S641-A643 PolarHBondContact O-N 3.34Å; S641-Y644 PolarHBondContact O-N 2.99Å; S641-F645 WeakPolarHBondContact O-CB 3.48Å; S641-F645 PolarHBondContact O-N 3.33Å
642	S	95.2	Very high	87.7	Confident	71 Å²	71	58 Å²	58	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-60	-39.3	177.7	58.9	0	0	0	0	112.1	W640 F645 L646	W640-S642 PolarHBondContact O-N 2.94Å; S642-F645 PolarHBondContact O-N 3.36Å; S642-L646 WeakPolarHBondContact O-CG 3.42Å; S642-L646 PolarHBondContact O-N 3.17Å; S642-L646 VanDerWaalsContact O-N 3.14Å
643	A	96.1	Very high	88.5	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-67.5	-42.1	176.6	0	0	0	0	0	111.6	W640 S641 L646 L647 A658 L659	W640-A643 WeakPolarHBondContact O-CB 3.36Å; W640-A643 PolarHBondContact O-N 3.45Å; S641-A643 VanDerWaalsContact C-N 3.28Å; S641-A643 PolarHBondContact O-N 3.34Å; A643-L646 PolarHBondContact O-N 2.91Å; A643-L647 WeakPolarHBondContact O-CG 3.32Å; A643-L647 PolarHBondContact O-N 3.44Å; A643-L647 VanDerWaalsContact O-N 3.14Å; A643-A658 HydrophobicContact CB-CB 3.68Å; A643-L659 HydrophobicContact CB-CD2 3.59Å; A643-L659 HydrophobicContact CB-CG 3.82Å
644	Y	94	Very high	89.9	Confident	32 Å²	32	60 Å²	60	13%	0.125	35%	0.347	C	S	.	.	H	α-helix	trans	-63.4	-42.8	175.6	-64.8	-19.7	0	0	0	112.3	A635 W640 S641 L646 L647 E648 L659 H679 A683	A635-Y644 PolarHBondContact O-OH 3Å; W640-Y644 HydrophobicContact CB-CE2 4.49Å; W640-Y644 PolarHBondContact O-N 3.05Å; S641-Y644 PolarHBondContact O-N 2.99Å; Y644-L646 PolarHBondContact O-N 3.45Å; Y644-L647 PolarHBondContact O-N 2.87Å; Y644-E648 WeakPolarHBondContact O-CG 3.39Å; Y644-E648 PolarHBondContact O-N 3.24Å; Y644-L659 HydrophobicContact CE1-CD2 4.26Å; Y644-H679 WeakPolarHBondContact CE1-O 3.38Å; Y644-H679 WeakPolarHBondContact OH-CA 3.48Å; Y644-H679 WeakPolarHBondContact OH-CB 3.19Å; Y644-H679 PolarHBondContact OH-ND1 3.35Å; Y644-H679 PolarHBondContact OH-O 3.27Å; Y644-A683 HydrophobicContact CD1-CB 4.25Å; Y644-A683 HydrophobicContact CE1-CB 3.84Å
645	F	93.5	Very high	91.4	Very high	118 Å²	118	57.9 Å²	57.9	52%	0.518	33%	0.333	S	S	.	.	H	α-helix	trans	-57.6	-47.3	176.7	-179.8	-97.8	0	0	0	111.8	S641 S642 L647 E648 E649	S641-F645 WeakPolarHBondContact O-CB 3.48Å; S641-F645 PolarHBondContact O-N 3.33Å; S642-F645 PolarHBondContact O-N 3.36Å; F645-L647 VanDerWaalsContact C-N 3.32Å; F645-L647 PolarHBondContact O-N 3.28Å; F645-E648 WeakPolarHBondContact O-CB 3.32Å; F645-E648 PolarHBondContact O-N 3.36Å; F645-E648 VanDerWaalsContact O-N 3.14Å; F645-E649 HydrophobicContact CD1-CG 4.41Å; F645-E649 HydrophobicContact CE1-CG 3.99Å; F645-E649 WeakPolarHBondContact CE1-OE1 3.38Å; F645-E649 VanDerWaalsContact CE1-OE2 3.26Å; F645-E649 WeakPolarHBondContact CE1-OE2 3.31Å; F645-E649 HydrophobicContact CE2-CG 4.45Å; F645-E649 VanDerWaalsContact CZ-CD 3.4Å; F645-E649 HydrophobicContact CZ-CG 4.01Å; F645-E649 WeakPolarHBondContact CZ-OE1 3.19Å; F645-E649 PolarHBondContact O-N 2.86Å
646	L	94.9	Very high	92.4	Very high	45 Å²	45	56.7 Å²	56.7	24%	0.236	32%	0.323	C	S	.	.	H	α-helix	trans	-60.4	-40	176.6	-70.2	169.4	0	0	0	112.6	S642 A643 Y644 G650 N651 A658	S642-L646 WeakPolarHBondContact O-CG 3.42Å; S642-L646 PolarHBondContact O-N 3.17Å; S642-L646 VanDerWaalsContact O-N 3.14Å; A643-L646 PolarHBondContact O-N 2.91Å; Y644-L646 PolarHBondContact O-N 3.45Å; L646-G650 PolarHBondContact O-N 2.92Å; L646-N651 HydrophobicContact CB-CB 4.44Å; L646-N651 HydrophobicContact CD2-CB 4.39Å; L646-N651 CarbonylContact O-C 3.38Å; L646-N651 WeakPolarHBondContact O-CA 3.43Å; L646-N651 WeakPolarHBondContact O-CB 3.45Å; L646-N651 PolarHBondContact O-N 3.13Å; L646-A658 HydrophobicContact CD1-CB 4.1Å
647	L	93.2	Very high	93.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-41.8	175.2	-65.2	174	0	0	0	111.2	A643 Y644 F645 E649 G650 L652 L659 A683 V686 L687 Q690	A643-L647 WeakPolarHBondContact O-CG 3.32Å; A643-L647 PolarHBondContact O-N 3.44Å; A643-L647 VanDerWaalsContact O-N 3.14Å; Y644-L647 PolarHBondContact O-N 2.87Å; F645-L647 VanDerWaalsContact C-N 3.32Å; F645-L647 PolarHBondContact O-N 3.28Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.03Å; L647-G650 PolarHBondContact O-N 2.97Å; L647-L652 HydrophobicContact CD2-CD1 3.96Å; L647-L659 HydrophobicContact CD1-CD1 4.32Å; L647-A683 HydrophobicContact CD1-CB 3.64Å; L647-V686 HydrophobicContact CB-CG1 3.89Å; L647-L687 HydrophobicContact CD2-CD2 4.22Å; L647-Q690 PolarHBondContact O-NE2 3.03Å
648	E	89.9	Confident	93.6	Very high	94 Å²	94	55.5 Å²	55.5	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-37	177.9	-74	-179.3	160.1	0	0	112.8	Y644 F645 G650 V686 R689 Q690	Y644-E648 WeakPolarHBondContact O-CG 3.39Å; Y644-E648 PolarHBondContact O-N 3.24Å; F645-E648 WeakPolarHBondContact O-CB 3.32Å; F645-E648 PolarHBondContact O-N 3.36Å; F645-E648 VanDerWaalsContact O-N 3.14Å; E648-G650 PolarHBondContact O-N 3.32Å; E648-V686 HydrophobicContact CG-CG1 3.65Å; E648-R689 IonicContact OE1-CZ 2.78Å; E648-R689 IonicContact OE1-NH1 3.56Å; E648-R689 IonicContact OE1-NH2 3.85Å; E648-R689 PolarHBondContact OE1-NH2 3.49Å; E648-Q690 PolarHBondContact O-NE2 3.48Å
649	E	89.6	Confident	93.9	Very high	126 Å²	126	47.5 Å²	47.5	59%	0.589	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.3	173.5	-69.1	-169.6	140.1	0	0	114	F645 L647	F645-E649 HydrophobicContact CD1-CG 4.41Å; F645-E649 HydrophobicContact CE1-CG 3.99Å; F645-E649 WeakPolarHBondContact CE1-OE1 3.38Å; F645-E649 VanDerWaalsContact CE1-OE2 3.26Å; F645-E649 WeakPolarHBondContact CE1-OE2 3.31Å; F645-E649 HydrophobicContact CE2-CG 4.45Å; F645-E649 VanDerWaalsContact CZ-CD 3.4Å; F645-E649 HydrophobicContact CZ-CG 4.01Å; F645-E649 WeakPolarHBondContact CZ-OE1 3.19Å; F645-E649 PolarHBondContact O-N 2.86Å; L647-E649 VanDerWaalsContact C-N 3.33Å; L647-E649 PolarHBondContact O-N 3.03Å
650	G	87.4	Confident	94.1	Very high	53 Å²	53	46 Å²	46	55%	0.546	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	6.2	-177.5	0	0	0	0	0	114.3	L646 L647 E648 L652	L646-G650 PolarHBondContact O-N 2.92Å; L647-G650 PolarHBondContact O-N 2.97Å; E648-G650 PolarHBondContact O-N 3.32Å; G650-L652 PolarHBondContact O-N 3.4Å
651	N	91.3	Very high	94.2	Very high	76 Å²	76	49.2 Å²	49.2	41%	0.406	28%	0.275	S	S	.	.			trans	-80.2	72.1	171.3	-173.1	-4.3	0	0	0	110.7	L646 R653 G654 G655	L646-N651 HydrophobicContact CB-CB 4.44Å; L646-N651 HydrophobicContact CD2-CB 4.39Å; L646-N651 CarbonylContact O-C 3.38Å; L646-N651 WeakPolarHBondContact O-CA 3.43Å; L646-N651 WeakPolarHBondContact O-CB 3.45Å; L646-N651 PolarHBondContact O-N 3.13Å; N651-R653 PolarHBondContact O-N 3.18Å; N651-G654 PolarHBondContact O-N 3.06Å; N651-G654 WeakPolarHBondContact OD1-CA 3.48Å; N651-G654 PolarHBondContact OD1-N 3.42Å; N651-G655 PolarHBondContact O-N 3.5Å
652	L	91.6	Very high	94.4	Very high	22 Å²	22	47.9 Å²	47.9	12%	0.115	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-51.1	-177.4	179.7	61.9	0	0	0	112.3	Q605 A609 L647 G650 G654 G655 V656 L687	Q605-L652 HydrophobicContact CG-CD2 4.11Å; A609-L652 HydrophobicContact CB-CD1 3.82Å; A609-L652 HydrophobicContact CB-CD2 4.01Å; A609-L652 HydrophobicContact CB-CG 4.46Å; L647-L652 HydrophobicContact CD2-CD1 3.96Å; G650-L652 PolarHBondContact O-N 3.4Å; L652-G654 PolarHBondContact O-N 3.23Å; L652-G655 PolarHBondContact O-N 2.99Å; L652-V656 HydrophobicContact CD1-CG2 4.15Å; L652-V656 VanDerWaalsContact O-CG2 3.31Å; L652-V656 WeakPolarHBondContact O-CG2 3.25Å; L652-V656 PolarHBondContact O-N 2.99Å; L652-L687 HydrophobicContact CD1-CD1 3.83Å; L652-L687 HydrophobicContact CD1-CD2 3.94Å
653	R	92.8	Very high	94.5	Very high	98 Å²	98	44.7 Å²	44.7	37%	0.37	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-48	-178.5	177.5	175.3	-76.4	-147.8	-2.2	111.9	A593 G594 N651 V656 Y657	A593-R653 HydrophobicContact CB-CB 4.5Å; A593-R653 HydrophobicContact CB-CG 4.27Å; G594-R653 PolarHBondContact O-NH2 2.97Å; N651-R653 PolarHBondContact O-N 3.18Å; R653-V656 PolarHBondContact O-N 2.93Å; R653-Y657 HydrophobicContact CG-CD2 3.73Å; R653-Y657 HydrophobicContact CG-CE2 3.46Å; R653-Y657 VanDerWaalsContact CG-CE2 3.46Å; R653-Y657 WeakPolarHBondContact O-CD2 3.33Å; R653-Y657 PolarHBondContact O-N 3.38Å; R653-Y657 VanDerWaalsContact O-N 3.13Å
654	G	94.4	Very high	94.6	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-44.1	177.7	0	0	0	0	0	112.1	N651 L652 Y657 A658	N651-G654 PolarHBondContact O-N 3.06Å; N651-G654 WeakPolarHBondContact OD1-CA 3.48Å; N651-G654 PolarHBondContact OD1-N 3.42Å; L652-G654 PolarHBondContact O-N 3.23Å; G654-Y657 PolarHBondContact O-N 2.91Å; G654-A658 WeakPolarHBondContact O-CB 3.3Å; G654-A658 PolarHBondContact O-N 3.1Å
655	G	96.3	Very high	94.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-47.1	177.6	0	0	0	0	0	112.9	N651 L652 Y657 A658 L659	N651-G655 PolarHBondContact O-N 3.5Å; L652-G655 PolarHBondContact O-N 2.99Å; G655-Y657 PolarHBondContact O-N 3.23Å; G655-A658 PolarHBondContact O-N 3.04Å; G655-L659 WeakPolarHBondContact O-CG 3.45Å; G655-L659 PolarHBondContact O-N 3Å
656	V	96.6	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-45.8	178	171.9	0	0	0	0	111.7	D589 A592 A593 L613 L652 R653 A658 L659 A660	D589-V656 HydrophobicContact CB-CG1 4.31Å; D589-V656 WeakPolarHBondContact O-CG1 3.26Å; A592-V656 HydrophobicContact CB-CG1 3.96Å; A592-V656 HydrophobicContact CB-CG2 3.95Å; A593-V656 HydrophobicContact CB-CB 4.3Å; A593-V656 HydrophobicContact CB-CG1 4.15Å; L613-V656 HydrophobicContact CD2-CG2 4.47Å; L652-V656 HydrophobicContact CD1-CG2 4.15Å; L652-V656 VanDerWaalsContact O-CG2 3.31Å; L652-V656 WeakPolarHBondContact O-CG2 3.25Å; L652-V656 PolarHBondContact O-N 2.99Å; R653-V656 PolarHBondContact O-N 2.93Å; V656-A658 PolarHBondContact O-N 3.34Å; V656-L659 WeakPolarHBondContact O-CB 3.32Å; V656-L659 PolarHBondContact O-N 3.25Å; V656-A660 PolarHBondContact O-N 3.49Å
657	Y	96.9	Very high	94.9	Very high	110 Å²	110	50 Å²	50	43%	0.431	27%	0.269	S	S	.	.	H	α-helix	trans	-69	-33.2	178.3	-69.8	-47.2	0	0	0	113	A593 R653 G654 G655 A660 A661	A593-Y657 HydrophobicContact CB-CE2 4.26Å; R653-Y657 HydrophobicContact CG-CD2 3.73Å; R653-Y657 HydrophobicContact CG-CE2 3.46Å; R653-Y657 VanDerWaalsContact CG-CE2 3.46Å; R653-Y657 WeakPolarHBondContact O-CD2 3.33Å; R653-Y657 PolarHBondContact O-N 3.38Å; R653-Y657 VanDerWaalsContact O-N 3.13Å; G654-Y657 PolarHBondContact O-N 2.91Å; G655-Y657 PolarHBondContact O-N 3.23Å; Y657-A660 PolarHBondContact O-N 2.77Å; Y657-A661 WeakPolarHBondContact O-CB 3.49Å; Y657-A661 PolarHBondContact O-N 3.06Å
658	A	97.6	Very high	94.9	Very high	24 Å²	24	54.9 Å²	54.9	20%	0.198	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-40.9	171.7	0	0	0	0	0	111.8	A643 L646 G654 G655 V656 Q662	A643-A658 HydrophobicContact CB-CB 3.68Å; L646-A658 HydrophobicContact CD1-CB 4.1Å; G654-A658 WeakPolarHBondContact O-CB 3.3Å; G654-A658 PolarHBondContact O-N 3.1Å; G655-A658 PolarHBondContact O-N 3.04Å; V656-A658 PolarHBondContact O-N 3.34Å; A658-Q662 WeakPolarHBondContact O-CB 3.31Å; A658-Q662 PolarHBondContact O-N 3.31Å
659	L	97.9	Very high	95.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-47.2	171.6	-66.5	172.2	0	0	0	111.3	L613 W640 A643 Y644 L647 G655 V656 A661 Q662 R663 Y680 A683	L613-L659 HydrophobicContact CD1-CD1 4.48Å; L613-L659 HydrophobicContact CD2-CD1 3.66Å; W640-L659 HydrophobicContact CE3-CD2 3.62Å; W640-L659 HydrophobicContact CZ3-CB 4.34Å; W640-L659 HydrophobicContact CZ3-CD2 3.95Å; W640-L659 WeakPolarHBondContact CZ3-O 3.37Å; A643-L659 HydrophobicContact CB-CD2 3.59Å; A643-L659 HydrophobicContact CB-CG 3.82Å; Y644-L659 HydrophobicContact CE1-CD2 4.26Å; L647-L659 HydrophobicContact CD1-CD1 4.32Å; G655-L659 WeakPolarHBondContact O-CG 3.45Å; G655-L659 PolarHBondContact O-N 3Å; V656-L659 WeakPolarHBondContact O-CB 3.32Å; V656-L659 PolarHBondContact O-N 3.25Å; L659-A661 PolarHBondContact O-N 3.46Å; L659-Q662 PolarHBondContact O-N 3.28Å; L659-R663 VanDerWaalsContact O-CB 3.31Å; L659-R663 WeakPolarHBondContact O-CB 3.25Å; L659-R663 PolarHBondContact O-N 3.03Å; L659-Y680 HydrophobicContact CB-CE1 4.02Å; L659-Y680 HydrophobicContact CD1-CD1 4.33Å; L659-Y680 HydrophobicContact CD1-CE1 4.12Å; L659-Y680 PolarHBondContact O-OH 3.34Å; L659-A683 HydrophobicContact CD1-CB 3.5Å; L659-A683 VanDerWaalsContact CD1-CB 3.5Å; L659-A683 HydrophobicContact CD2-CB 4.21Å; L659-A683 HydrophobicContact CG-CB 4.48Å
660	A	97.8	Very high	95.5	Very high	12 Å²	12	53.1 Å²	53.1	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-40.8	-178.2	0	0	0	0	0	112.4	V656 Y657 R663 Y680	V656-A660 PolarHBondContact O-N 3.49Å; Y657-A660 PolarHBondContact O-N 2.77Å; A660-R663 WeakPolarHBondContact O-CB 3.11Å; A660-R663 PolarHBondContact O-N 3.02Å; A660-Y680 WeakPolarHBondContact CA-OH 3.29Å; A660-Y680 PolarHBondContact N-OH 3.23Å
661	A	97.7	Very high	95.8	Very high	67 Å²	67	52.6 Å²	52.6	55%	0.554	28%	0.278	S	S	*	.	H	α-helix	trans	-62.6	-47.1	174.4	0	0	0	0	0	111.2	Y657 L659 R663 Q664	Y657-A661 WeakPolarHBondContact O-CB 3.49Å; Y657-A661 PolarHBondContact O-N 3.06Å; L659-A661 PolarHBondContact O-N 3.46Å; A661-R663 PolarHBondContact O-N 3.4Å; A661-Q664 PolarHBondContact O-N 3.17Å
662	Q	97.8	Very high	96	Very high	36 Å²	36	50.4 Å²	50.4	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-38.7	179.1	-175.2	58	17.3	0	0	112	A639 W640 A658 L659 Q664 L665 W666	A639-Q662 VanDerWaalsContact CB-NE2 3.25Å; W640-Q662 HydrophobicContact CD2-CB 4.3Å; W640-Q662 HydrophobicContact CD2-CG 3.55Å; W640-Q662 HydrophobicContact CE3-CB 4.03Å; W640-Q662 HydrophobicContact CE3-CG 3.8Å; W640-Q662 HydrophobicContact CG-CG 4.05Å; W640-Q662 HydrophobicContact CH2-CB 4.29Å; W640-Q662 HydrophobicContact CH2-CG 4.1Å; W640-Q662 HydrophobicContact CZ2-CG 3.84Å; W640-Q662 HydrophobicContact CZ3-CB 4.02Å; W640-Q662 HydrophobicContact CZ3-CG 4.07Å; A658-Q662 WeakPolarHBondContact O-CB 3.31Å; A658-Q662 PolarHBondContact O-N 3.31Å; L659-Q662 PolarHBondContact O-N 3.28Å; Q662-Q664 PolarHBondContact O-N 2.91Å; Q662-L665 WeakPolarHBondContact O-CB 3.09Å; Q662-L665 PolarHBondContact O-N 3.42Å; Q662-L665 VanDerWaalsContact O-N 3.12Å; Q662-W666 VanDerWaalsContact NE2-NE1 3.17Å
663	R	97.4	Very high	96.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.015	26%	0.262	C	S	.	.	H	α-helix	trans	-53.9	-36.7	177.9	-179.4	-176.3	65.1	-143.7	1.3	113.2	D589 L620 W640 L659 A660 A661 L665 W666 L667 Y680	D589-R663 VanDerWaalsContact CG-NH1 3.35Å; D589-R663 IonicContact OD1-CZ 3.15Å; D589-R663 IonicContact OD1-NH1 2.64Å; D589-R663 PolarHBondContact OD1-NH1 3.29Å; D589-R663 IonicContact OD1-NH2 2.7Å; D589-R663 IonicContact OD2-CZ 2.73Å; D589-R663 VanDerWaalsContact OD2-CZ 3.31Å; D589-R663 IonicContact OD2-NH1 3.4Å; D589-R663 PolarHBondContact OD2-NH1 3.47Å; D589-R663 IonicContact OD2-NH2 3.76Å; D589-R663 PolarHBondContact OD2-NH2 2.91Å; L620-R663 HydrophobicContact CD1-CG 4.49Å; L620-R663 HydrophobicContact CD2-CG 4.3Å; W640-R663 HydrophobicContact CH2-CB 4Å; L659-R663 VanDerWaalsContact O-CB 3.31Å; L659-R663 WeakPolarHBondContact O-CB 3.25Å; L659-R663 PolarHBondContact O-N 3.03Å; A660-R663 WeakPolarHBondContact O-CB 3.11Å; A660-R663 PolarHBondContact O-N 3.02Å; A661-R663 PolarHBondContact O-N 3.4Å; R663-L665 PolarHBondContact O-N 3.34Å; R663-L665 VanDerWaalsContact O-N 3.13Å; R663-W666 PolarHBondContact O-N 3.02Å; R663-L667 HydrophobicContact CG-CD2 3.91Å; R663-L667 WeakPolarHBondContact O-CG 3.36Å; R663-Y680 HydrophobicContact CB-CE2 4.07Å; R663-Y680 WeakPolarHBondContact CD-OH 3.3Å; R663-Y680 HydrophobicContact CG-CE2 4.12Å; R663-Y680 PolarHBondContact NH1-OH 3.02Å
664	Q	97.1	Very high	96.4	Very high	115 Å²	115	45.3 Å²	45.3	54%	0.537	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-57.6	-29.7	-178.9	-63.7	-57.8	-27	0	0	112.8	A661 Q662 W666	A661-Q664 PolarHBondContact O-N 3.17Å; Q662-Q664 PolarHBondContact O-N 2.91Å; Q664-W666 PolarHBondContact O-N 3.12Å
665	L	96.9	Very high	96.4	Very high	124 Å²	124	49 Å²	49	65%	0.649	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-76.7	-5.5	178.9	-53.2	177.6	0	0	0	113.5	Q662 R663	Q662-L665 WeakPolarHBondContact O-CB 3.09Å; Q662-L665 PolarHBondContact O-N 3.42Å; Q662-L665 VanDerWaalsContact O-N 3.12Å; R663-L665 PolarHBondContact O-N 3.34Å; R663-L665 VanDerWaalsContact O-N 3.13Å
666	W	96.6	Very high	96.3	Very high	22 Å²	22	49 Å²	49	8%	0.083	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-119.6	5.4	-171.5	-66.4	69.3	0	0	0	113.9	W640 Q662 R663 Q664 L672 L673 R675 A676	W640-W666 AromaticContact CZ2-CD1 3.8Å; W640-W666 HydrophobicContact CZ2-CD2 4.17Å; W640-W666 AromaticContact CZ2-CG 3.98Å; W640-W666 HydrophobicContact CZ2-CG 3.98Å; W640-W666 AromaticContact CZ2-NE1 3.91Å; W640-W666 AromaticContact NE1-CE2 3.52Å; W640-W666 AromaticContact NE1-CZ2 3.5Å; W640-W666 AromaticContact NE1-NE1 3.7Å; Q662-W666 VanDerWaalsContact NE2-NE1 3.17Å; R663-W666 PolarHBondContact O-N 3.02Å; Q664-W666 PolarHBondContact O-N 3.12Å; W666-L672 HydrophobicContact CB-CB 4.3Å; W666-L672 HydrophobicContact CE3-CB 4.12Å; W666-L672 HydrophobicContact CE3-CD2 3.68Å; W666-L672 HydrophobicContact CE3-CG 4.44Å; W666-L672 HydrophobicContact CZ3-CD2 3.84Å; W666-L672 CarbonylContact O-C 3.46Å; W666-L672 WeakPolarHBondContact O-CB 3.2Å; W666-L673 PolarHBondContact O-N 3.24Å; W666-R675 HydrophobicContact CE3-CB 4.07Å; W666-R675 HydrophobicContact CZ3-CB 3.76Å; W666-A676 HydrophobicContact CB-CB 3.94Å; W666-A676 HydrophobicContact CG-CB 4.46Å
667	L	95.9	Very high	96.3	Very high	47 Å²	47	49 Å²	49	25%	0.246	25%	0.253	C	S	.	.			trans	-85.2	-4.4	-175.1	-58.2	-175.8	0	0	0	114.5	L620 M623 R663 R669 L673	L620-L667 HydrophobicContact CD2-CD2 3.59Å; M623-L667 HydrophobicContact CE-CD2 4.21Å; R663-L667 HydrophobicContact CG-CD2 3.91Å; R663-L667 WeakPolarHBondContact O-CG 3.36Å; L667-R669 PolarHBondContact O-N 2.91Å; L667-L673 HydrophobicContact CB-CD2 4.32Å; L667-L673 HydrophobicContact CD2-CD2 3.48Å; L667-L673 VanDerWaalsContact CD2-CD2 3.48Å
668	S	94.5	Very high	96.2	Very high	102 Å²	102	46.7 Å²	46.7	71%	0.713	24%	0.244	S	C	*	.	S	Bend	trans	-76.6	-22.6	-166.5	59.3	0	0	0	0	115.7
669	R	94.6	Very high	96.1	Very high	141 Å²	141	45.7 Å²	45.7	53%	0.532	24%	0.235	S	C	.	.	S	Bend	trans	-149.9	152	-179.2	56.8	-177.4	-73.8	-174.5	-9.1	113	L667 D671 L672 L673	L667-R669 PolarHBondContact O-N 2.91Å; R669-D671 IonicContact CZ-OD1 3.24Å; R669-D671 IonicContact CZ-OD2 3.52Å; R669-D671 VanDerWaalsContact NE-CG 3.29Å; R669-D671 IonicContact NE-OD1 3.6Å; R669-D671 PolarHBondContact NE-OD1 3.37Å; R669-D671 IonicContact NE-OD2 3.09Å; R669-D671 PolarHBondContact NE-OD2 3Å; R669-D671 VanDerWaalsContact NH2-CG 3.27Å; R669-D671 IonicContact NH2-OD1 2.93Å; R669-D671 PolarHBondContact NH2-OD1 2.99Å; R669-D671 IonicContact NH2-OD2 3.74Å; R669-D671 PolarHBondContact NH2-OD2 3.34Å; R669-D671 PolarHBondContact O-N 2.88Å; R669-L672 HydrophobicContact CG-CB 4.07Å; R669-L672 HydrophobicContact CG-CD1 3.69Å; R669-L672 HydrophobicContact CG-CG 3.6Å; R669-L672 PolarHBondContact O-N 3.39Å; R669-L673 PolarHBondContact O-N 3.41Å; R669-L673 VanDerWaalsContact O-N 3.16Å
670	P	95.6	Very high	96	Very high	43 Å²	43	45.7 Å²	45.7	28%	0.279	24%	0.235	S	C	.	.	H	α-helix	trans	-53.1	-40.2	-173.1	-31.2	37.3	0	0	0	116.8	A624 K627 G628 L673 V674	A624-P670 HydrophobicContact CB-CB 4.13Å; K627-P670 HydrophobicContact CB-CB 3.8Å; K627-P670 HydrophobicContact CB-CG 3.96Å; G628-P670 WeakPolarHBondContact CA-O 3.08Å; P670-L673 WeakPolarHBondContact O-CB 3.3Å; P670-L673 PolarHBondContact O-N 2.92Å; P670-V674 PolarHBondContact O-N 3.41Å; P670-V674 VanDerWaalsContact O-N 3.15Å
671	D	94.1	Very high	95.7	Very high	42 Å²	42	46.1 Å²	46.1	23%	0.225	24%	0.235	C	C	.	.	H	α-helix	trans	-71.1	-32.2	178.1	54.7	-71.5	0	0	0	113	R669 V674 R675	R669-D671 IonicContact CZ-OD1 3.24Å; R669-D671 IonicContact CZ-OD2 3.52Å; R669-D671 VanDerWaalsContact NE-CG 3.29Å; R669-D671 IonicContact NE-OD1 3.6Å; R669-D671 PolarHBondContact NE-OD1 3.37Å; R669-D671 IonicContact NE-OD2 3.09Å; R669-D671 PolarHBondContact NE-OD2 3Å; R669-D671 VanDerWaalsContact NH2-CG 3.27Å; R669-D671 IonicContact NH2-OD1 2.93Å; R669-D671 PolarHBondContact NH2-OD1 2.99Å; R669-D671 IonicContact NH2-OD2 3.74Å; R669-D671 PolarHBondContact NH2-OD2 3.34Å; R669-D671 PolarHBondContact O-N 2.88Å; D671-V674 PolarHBondContact O-N 2.96Å; D671-R675 WeakPolarHBondContact O-CB 3.43Å; D671-R675 WeakPolarHBondContact O-CD 3.44Å; D671-R675 WeakPolarHBondContact O-CG 3.33Å; D671-R675 PolarHBondContact O-N 2.9Å
672	L	95.6	Very high	95.4	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-68.8	-36.8	173.2	-67	-176.9	0	0	0	111.1	W666 R669 R675 A676	W666-L672 HydrophobicContact CB-CB 4.3Å; W666-L672 HydrophobicContact CE3-CB 4.12Å; W666-L672 HydrophobicContact CE3-CD2 3.68Å; W666-L672 HydrophobicContact CE3-CG 4.44Å; W666-L672 HydrophobicContact CZ3-CD2 3.84Å; W666-L672 CarbonylContact O-C 3.46Å; W666-L672 WeakPolarHBondContact O-CB 3.2Å; R669-L672 HydrophobicContact CG-CB 4.07Å; R669-L672 HydrophobicContact CG-CD1 3.69Å; R669-L672 HydrophobicContact CG-CG 3.6Å; R669-L672 PolarHBondContact O-N 3.39Å; L672-R675 PolarHBondContact O-N 2.77Å; L672-A676 WeakPolarHBondContact O-CB 3.29Å; L672-A676 PolarHBondContact O-N 3.39Å
673	L	96.9	Very high	95.2	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-48.2	173.1	-69.2	169.2	0	0	0	111.7	L620 M623 A624 W666 L667 R669 P670 R675 A676 A677	L620-L673 HydrophobicContact CD2-CD2 3.75Å; M623-L673 HydrophobicContact CB-CD1 3.72Å; M623-L673 HydrophobicContact CB-CD2 4.3Å; M623-L673 HydrophobicContact CE-CD2 3.8Å; M623-L673 HydrophobicContact SD-CD2 4.33Å; A624-L673 HydrophobicContact CB-CB 4.15Å; A624-L673 HydrophobicContact CB-CD1 4.28Å; W666-L673 PolarHBondContact O-N 3.24Å; L667-L673 HydrophobicContact CB-CD2 4.32Å; L667-L673 HydrophobicContact CD2-CD2 3.48Å; L667-L673 VanDerWaalsContact CD2-CD2 3.48Å; R669-L673 PolarHBondContact O-N 3.41Å; R669-L673 VanDerWaalsContact O-N 3.16Å; P670-L673 WeakPolarHBondContact O-CB 3.3Å; P670-L673 PolarHBondContact O-N 2.92Å; L673-R675 VanDerWaalsContact C-N 3.32Å; L673-R675 PolarHBondContact O-N 3.39Å; L673-A676 PolarHBondContact O-N 3.38Å; L673-A677 PolarHBondContact O-N 3.05Å
674	V	95.4	Very high	95	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-36.4	177.1	173.6	0	0	0	0	111.5	A624 R631 P670 D671 A677 R678	A624-V674 HydrophobicContact CB-CG2 3.85Å; R631-V674 HydrophobicContact CB-CG1 4.26Å; P670-V674 PolarHBondContact O-N 3.41Å; P670-V674 VanDerWaalsContact O-N 3.15Å; D671-V674 PolarHBondContact O-N 2.96Å; V674-A677 WeakPolarHBondContact O-CB 3.37Å; V674-A677 PolarHBondContact O-N 3.45Å; V674-R678 WeakPolarHBondContact O-CG 3.39Å; V674-R678 PolarHBondContact O-N 3.04Å
675	R	94.6	Very high	94.7	Very high	97 Å²	97	40 Å²	40	37%	0.366	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-42	175.1	-72.1	167.7	66.9	-169	-3.3	112.2	W666 D671 L672 L673 A677 R678 H679	W666-R675 HydrophobicContact CE3-CB 4.07Å; W666-R675 HydrophobicContact CZ3-CB 3.76Å; D671-R675 WeakPolarHBondContact O-CB 3.43Å; D671-R675 WeakPolarHBondContact O-CD 3.44Å; D671-R675 WeakPolarHBondContact O-CG 3.33Å; D671-R675 PolarHBondContact O-N 2.9Å; L672-R675 PolarHBondContact O-N 2.77Å; L673-R675 VanDerWaalsContact C-N 3.32Å; L673-R675 PolarHBondContact O-N 3.39Å; R675-A677 VanDerWaalsContact C-N 3.31Å; R675-A677 PolarHBondContact O-N 3.24Å; R675-R678 WeakPolarHBondContact O-CB 3.41Å; R675-R678 PolarHBondContact O-N 3.26Å; R675-H679 PolarHBondContact O-CD2 3.33Å; R675-H679 PolarHBondContact O-N 3.37Å
676	A	95.9	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-41.8	173.2	0	0	0	0	0	111.2	L620 W640 W666 L672 L673 R678 H679 Y680	L620-A676 HydrophobicContact CD1-CB 3.97Å; W640-A676 HydrophobicContact CH2-CB 4.14Å; W640-A676 HydrophobicContact CZ2-CB 4.02Å; W666-A676 HydrophobicContact CB-CB 3.94Å; W666-A676 HydrophobicContact CG-CB 4.46Å; L672-A676 WeakPolarHBondContact O-CB 3.29Å; L672-A676 PolarHBondContact O-N 3.39Å; L673-A676 PolarHBondContact O-N 3.38Å; A676-R678 VanDerWaalsContact C-N 3.26Å; A676-R678 PolarHBondContact O-N 3.21Å; A676-H679 WeakPolarHBondContact O-CA 3.36Å; A676-H679 WeakPolarHBondContact O-CB 3.48Å; A676-H679 PolarHBondContact O-N 2.88Å; A676-Y680 WeakPolarHBondContact O-CD2 3.21Å; A676-Y680 PolarHBondContact O-N 3.24Å; A676-Y680 VanDerWaalsContact O-N 3.11Å
677	A	95.9	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56	-39.2	174.9	0	0	0	0	0	112.7	A617 L620 V621 L673 V674 R675 H679 Y680 E681	A617-A677 HydrophobicContact CB-CB 3.9Å; A617-A677 WeakPolarHBondContact CB-O 3.45Å; A617-A677 WeakPolarHBondContact O-CB 3.47Å; L620-A677 HydrophobicContact CB-CB 4.08Å; L620-A677 HydrophobicContact CD1-CB 4.38Å; V621-A677 HydrophobicContact CG2-CB 3.98Å; L673-A677 PolarHBondContact O-N 3.05Å; V674-A677 WeakPolarHBondContact O-CB 3.37Å; V674-A677 PolarHBondContact O-N 3.45Å; R675-A677 VanDerWaalsContact C-N 3.31Å; R675-A677 PolarHBondContact O-N 3.24Å; A677-H679 VanDerWaalsContact C-N 3.28Å; A677-H679 PolarHBondContact O-N 2.88Å; A677-Y680 PolarHBondContact O-N 2.93Å; A677-E681 PolarHBondContact O-N 2.93Å
678	R	94	Very high	94	Very high	63 Å²	63	32.4 Å²	32.4	24%	0.238	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-30.9	174.6	-62.8	173.5	-162.9	172.4	1.2	112.8	L630 R631 G633 A635 V674 R675 A676 G682	L630-R678 PolarHBondContact O-NH2 2.8Å; R631-R678 HydrophobicContact CG-CG 4.23Å; G633-R678 WeakPolarHBondContact O-CB 3.49Å; G633-R678 WeakPolarHBondContact O-CG 3.23Å; A635-R678 HydrophobicContact CB-CB 3.82Å; V674-R678 WeakPolarHBondContact O-CG 3.39Å; V674-R678 PolarHBondContact O-N 3.04Å; R675-R678 WeakPolarHBondContact O-CB 3.41Å; R675-R678 PolarHBondContact O-N 3.26Å; A676-R678 VanDerWaalsContact C-N 3.26Å; A676-R678 PolarHBondContact O-N 3.21Å; R678-G682 PolarHBondContact O-N 3.12Å
679	H	95.3	Very high	93.8	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-73.1	-37.1	175.9	-69.7	-59.7	0	0	0	112.3	A635 N637 W640 Y644 R675 A676 A677 E681 G682 A683	A635-H679 WeakPolarHBondContact CB-CE1 3.47Å; A635-H679 PolarHBondContact O-CE1 3.12Å; A635-H679 VanDerWaalsContact O-CE1 3.26Å; A635-H679 PolarHBondContact O-ND1 3.01Å; N637-H679 WeakPolarHBondContact CB-CE1 3.25Å; N637-H679 WeakPolarHBondContact CB-NE2 3.47Å; N637-H679 PolarHBondContact N-CE1 3.39Å; N637-H679 VanDerWaalsContact N-CE1 3.26Å; W640-H679 AromaticContact CD1-CD2 3.5Å; W640-H679 AromaticContact CD1-CE1 3.77Å; W640-H679 AromaticContact CD1-CG 3.68Å; W640-H679 AromaticContact CD1-ND1 3.82Å; W640-H679 AromaticContact CD1-NE2 3.6Å; W640-H679 HydrophobicContact CD2-CB 3.62Å; W640-H679 AromaticContact CD2-CD2 3.88Å; W640-H679 AromaticContact CD2-CG 3.65Å; W640-H679 AromaticContact CE2-CD2 3.44Å; W640-H679 VanDerWaalsContact CE2-CD2 3.44Å; W640-H679 AromaticContact CE2-CG 3.71Å; W640-H679 HydrophobicContact CE3-CB 3.79Å; W640-H679 HydrophobicContact CG-CB 4.01Å; W640-H679 AromaticContact CG-CD2 3.9Å; W640-H679 AromaticContact CG-CG 3.62Å; W640-H679 AromaticContact CG-ND1 3.81Å; W640-H679 HydrophobicContact CH2-CB 4.43Å; W640-H679 HydrophobicContact CZ2-CB 4.3Å; W640-H679 HydrophobicContact CZ3-CB 4.2Å; W640-H679 AromaticContact NE1-CD2 3.18Å; W640-H679 PolarHBondContact NE1-CD2 3.28Å; W640-H679 AromaticContact NE1-CG 3.71Å; W640-H679 AromaticContact NE1-NE2 3.55Å; Y644-H679 WeakPolarHBondContact CE1-O 3.38Å; Y644-H679 WeakPolarHBondContact OH-CA 3.48Å; Y644-H679 WeakPolarHBondContact OH-CB 3.19Å; Y644-H679 PolarHBondContact OH-ND1 3.35Å; Y644-H679 PolarHBondContact OH-O 3.27Å; R675-H679 PolarHBondContact O-CD2 3.33Å; R675-H679 PolarHBondContact O-N 3.37Å; A676-H679 WeakPolarHBondContact O-CA 3.36Å; A676-H679 WeakPolarHBondContact O-CB 3.48Å; A676-H679 PolarHBondContact O-N 2.88Å; A677-H679 VanDerWaalsContact C-N 3.28Å; A677-H679 PolarHBondContact O-N 2.88Å; H679-E681 VanDerWaalsContact C-N 3.35Å; H679-G682 PolarHBondContact O-N 2.9Å; H679-A683 PolarHBondContact O-N 2.91Å
680	Y	96	Very high	93.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65	-36.8	171.4	-85.8	-90.2	0	0	0	112.4	L613 I616 L620 W640 L659 A660 R663 A676 A677 A683 G684	L613-Y680 HydrophobicContact CB-CD1 4.26Å; L613-Y680 HydrophobicContact CD2-CD1 3.6Å; L613-Y680 HydrophobicContact CD2-CE1 3.77Å; I616-Y680 HydrophobicContact CB-CD1 3.83Å; I616-Y680 HydrophobicContact CB-CE1 4Å; I616-Y680 HydrophobicContact CB-CG 4.39Å; I616-Y680 HydrophobicContact CD1-CD1 4.13Å; I616-Y680 HydrophobicContact CD1-CE1 3.71Å; I616-Y680 HydrophobicContact CG1-CE1 4.43Å; I616-Y680 HydrophobicContact CG2-CD1 3.53Å; I616-Y680 HydrophobicContact CG2-CD2 4.03Å; I616-Y680 HydrophobicContact CG2-CE1 3.44Å; I616-Y680 VanDerWaalsContact CG2-CE1 3.44Å; I616-Y680 HydrophobicContact CG2-CE2 3.93Å; I616-Y680 HydrophobicContact CG2-CG 3.85Å; L620-Y680 HydrophobicContact CD1-CD2 3.95Å; L620-Y680 HydrophobicContact CD1-CE2 4.19Å; W640-Y680 HydrophobicContact CH2-CE2 4.09Å; W640-Y680 HydrophobicContact CZ3-CD2 4.39Å; W640-Y680 AromaticContact CZ3-CE2 3.94Å; W640-Y680 HydrophobicContact CZ3-CE2 3.94Å; L659-Y680 HydrophobicContact CB-CE1 4.02Å; L659-Y680 HydrophobicContact CD1-CD1 4.33Å; L659-Y680 HydrophobicContact CD1-CE1 4.12Å; L659-Y680 PolarHBondContact O-OH 3.34Å; A660-Y680 WeakPolarHBondContact CA-OH 3.29Å; A660-Y680 PolarHBondContact N-OH 3.23Å; R663-Y680 HydrophobicContact CB-CE2 4.07Å; R663-Y680 WeakPolarHBondContact CD-OH 3.3Å; R663-Y680 HydrophobicContact CG-CE2 4.12Å; R663-Y680 PolarHBondContact NH1-OH 3.02Å; A676-Y680 WeakPolarHBondContact O-CD2 3.21Å; A676-Y680 PolarHBondContact O-N 3.24Å; A676-Y680 VanDerWaalsContact O-N 3.11Å; A677-Y680 PolarHBondContact O-N 2.93Å; Y680-A683 PolarHBondContact O-N 3.49Å; Y680-G684 PolarHBondContact O-N 3.34Å
681	E	91.9	Very high	93.3	Very high	20 Å²	20	23.7 Å²	23.7	9%	0.093	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-43.3	169.4	-72.9	-178.9	145.4	0	0	112	A617 R631 A677 H679 A683 G684 Q685 R955	A617-E681 HydrophobicContact CB-CG 4.43Å; R631-E681 IonicContact CZ-OE1 2.77Å; R631-E681 IonicContact NE-OE1 3.99Å; R631-E681 PolarHBondContact NE-OE1 3.26Å; R631-E681 IonicContact NE-OE2 2.85Å; R631-E681 PolarHBondContact NE-OE2 3.38Å; R631-E681 IonicContact NH2-OE1 2.97Å; R631-E681 PolarHBondContact NH2-OE1 3.46Å; A677-E681 PolarHBondContact O-N 2.93Å; H679-E681 VanDerWaalsContact C-N 3.35Å; E681-A683 VanDerWaalsContact C-N 3.35Å; E681-A683 PolarHBondContact O-N 2.82Å; E681-G684 PolarHBondContact O-N 2.7Å; E681-Q685 WeakPolarHBondContact O-CG 3.35Å; E681-Q685 PolarHBondContact O-N 3.37Å; E681-R955 IonicContact OE1-CZ 2.61Å; E681-R955 IonicContact OE1-NE 2.87Å; E681-R955 PolarHBondContact OE1-NE 2.97Å; E681-R955 IonicContact OE1-NH2 2.74Å; E681-R955 PolarHBondContact OE1-NH2 3.05Å; E681-R955 IonicContact OE2-NH2 3.95Å
682	G	91.8	Very high	93.2	Very high	7 Å²	7	21.7 Å²	21.7	7%	0.072	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-44	174.4	0	0	0	0	0	112.5	R678 H679 Q685 V686	R678-G682 PolarHBondContact O-N 3.12Å; H679-G682 PolarHBondContact O-N 2.9Å; G682-Q685 WeakPolarHBondContact O-CB 3.4Å; G682-Q685 PolarHBondContact O-N 2.75Å; G682-V686 PolarHBondContact O-N 2.89Å; G682-V686 VanDerWaalsContact O-N 3.08Å
683	A	94.1	Very high	92.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-43.3	174.8	0	0	0	0	0	112.3	L613 Y644 L647 L659 H679 Y680 E681 Q685 V686 L687	L613-A683 HydrophobicContact CD1-CB 3.79Å; Y644-A683 HydrophobicContact CD1-CB 4.25Å; Y644-A683 HydrophobicContact CE1-CB 3.84Å; L647-A683 HydrophobicContact CD1-CB 3.64Å; L659-A683 HydrophobicContact CD1-CB 3.5Å; L659-A683 VanDerWaalsContact CD1-CB 3.5Å; L659-A683 HydrophobicContact CD2-CB 4.21Å; L659-A683 HydrophobicContact CG-CB 4.48Å; H679-A683 PolarHBondContact O-N 2.91Å; Y680-A683 PolarHBondContact O-N 3.49Å; E681-A683 VanDerWaalsContact C-N 3.35Å; E681-A683 PolarHBondContact O-N 2.82Å; A683-Q685 VanDerWaalsContact C-N 3.26Å; A683-Q685 PolarHBondContact O-N 2.9Å; A683-V686 WeakPolarHBondContact O-CB 3.28Å; A683-V686 PolarHBondContact O-N 3.09Å; A683-L687 PolarHBondContact O-N 2.93Å
684	G	92.9	Very high	92.6	Very high	7 Å²	7	23.8 Å²	23.8	7%	0.072	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-36.9	174.1	0	0	0	0	0	112.5	Y680 E681 L687 L688	Y680-G684 PolarHBondContact O-N 3.34Å; E681-G684 PolarHBondContact O-N 2.7Å; G684-L687 PolarHBondContact O-N 2.95Å; G684-L688 WeakPolarHBondContact O-CB 3.21Å; G684-L688 PolarHBondContact O-N 3.07Å
685	Q	90.1	Very high	92.4	Very high	79 Å²	79	23.6 Å²	23.6	37%	0.369	11%	0.113	S	C	.	.	H	α-helix	trans	-66.8	-36.7	174.9	-74.4	175.9	-8.6	0	0	113	P634 E681 G682 A683 L687 L688 R689	P634-Q685 VanDerWaalsContact CG-OE1 3.3Å; E681-Q685 WeakPolarHBondContact O-CG 3.35Å; E681-Q685 PolarHBondContact O-N 3.37Å; G682-Q685 WeakPolarHBondContact O-CB 3.4Å; G682-Q685 PolarHBondContact O-N 2.75Å; A683-Q685 VanDerWaalsContact C-N 3.26Å; A683-Q685 PolarHBondContact O-N 2.9Å; Q685-L687 VanDerWaalsContact C-N 3.32Å; Q685-L687 PolarHBondContact O-N 2.67Å; Q685-L688 PolarHBondContact O-N 2.84Å; Q685-R689 WeakPolarHBondContact O-CB 3.43Å; Q685-R689 PolarHBondContact O-N 3.39Å
686	V	91.4	Very high	92.3	Very high	12 Å²	12	23.8 Å²	23.8	7%	0.073	12%	0.118	C	C	.	.	H	α-helix	trans	-58.5	-46.7	173.4	171.8	0	0	0	0	110.6	L647 E648 G682 A683 R689 Q690	L647-V686 HydrophobicContact CB-CG1 3.89Å; E648-V686 HydrophobicContact CG-CG1 3.65Å; G682-V686 PolarHBondContact O-N 2.89Å; G682-V686 VanDerWaalsContact O-N 3.08Å; A683-V686 WeakPolarHBondContact O-CB 3.28Å; A683-V686 PolarHBondContact O-N 3.09Å; V686-R689 WeakPolarHBondContact O-CB 3.45Å; V686-R689 PolarHBondContact O-N 3.33Å; V686-Q690 PolarHBondContact O-N 2.93Å; V686-Q690 VanDerWaalsContact O-N 3.09Å
687	L	92.3	Very high	92.2	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-44.9	178.3	-66.6	-172.2	0	0	0	112.4	V606 A609 A610 L613 L647 L652 A683 G684 Q685 R689 Q690 A691	V606-L687 HydrophobicContact CG1-CB 3.83Å; V606-L687 HydrophobicContact CG1-CD2 4.45Å; V606-L687 VanDerWaalsContact CG1-O 3.27Å; V606-L687 WeakPolarHBondContact CG1-O 3.21Å; A609-L687 HydrophobicContact CB-CD1 3.7Å; A610-L687 HydrophobicContact CB-CB 4.08Å; A610-L687 HydrophobicContact CB-CD1 4.39Å; L613-L687 HydrophobicContact CD1-CD1 3.71Å; L613-L687 HydrophobicContact CD1-CG 4.5Å; L647-L687 HydrophobicContact CD2-CD2 4.22Å; L652-L687 HydrophobicContact CD1-CD1 3.83Å; L652-L687 HydrophobicContact CD1-CD2 3.94Å; A683-L687 PolarHBondContact O-N 2.93Å; G684-L687 PolarHBondContact O-N 2.95Å; Q685-L687 VanDerWaalsContact C-N 3.32Å; Q685-L687 PolarHBondContact O-N 2.67Å; L687-R689 VanDerWaalsContact C-N 3.27Å; L687-R689 PolarHBondContact O-N 2.81Å; L687-Q690 PolarHBondContact O-N 3.05Å; L687-A691 PolarHBondContact O-N 3.42Å
688	L	90.8	Very high	92.1	Very high	20 Å²	20	33 Å²	33	11%	0.105	15%	0.154	C	C	.	.	H	α-helix	trans	-58	-43.2	175.8	-179	62	0	0	0	111.3	G684 Q685 A691 V692 P731 P732 F735	G684-L688 WeakPolarHBondContact O-CB 3.21Å; G684-L688 PolarHBondContact O-N 3.07Å; Q685-L688 PolarHBondContact O-N 2.84Å; L688-A691 WeakPolarHBondContact O-CB 3.5Å; L688-A691 PolarHBondContact O-N 3.46Å; L688-V692 WeakPolarHBondContact O-CG2 3.49Å; L688-V692 PolarHBondContact O-N 2.98Å; L688-P731 HydrophobicContact CD1-CB 3.79Å; L688-P731 HydrophobicContact CG-CB 4.34Å; L688-P732 HydrophobicContact CD1-CB 3.9Å; L688-F735 HydrophobicContact CD1-CE1 3.58Å; L688-F735 HydrophobicContact CD1-CZ 3.51Å
689	R	90.3	Very high	92.1	Very high	42 Å²	42	31.9 Å²	31.9	16%	0.158	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-48.2	177.6	-173.3	-176.6	55.8	-163.3	1	111.3	E648 Q685 V686 L687 A691 V692 M693 Q884	E648-R689 IonicContact OE1-CZ 2.78Å; E648-R689 IonicContact OE1-NH1 3.56Å; E648-R689 IonicContact OE1-NH2 3.85Å; E648-R689 PolarHBondContact OE1-NH2 3.49Å; Q685-R689 WeakPolarHBondContact O-CB 3.43Å; Q685-R689 PolarHBondContact O-N 3.39Å; V686-R689 WeakPolarHBondContact O-CB 3.45Å; V686-R689 PolarHBondContact O-N 3.33Å; L687-R689 VanDerWaalsContact C-N 3.27Å; L687-R689 PolarHBondContact O-N 2.81Å; R689-A691 VanDerWaalsContact C-N 3.33Å; R689-A691 PolarHBondContact O-N 2.6Å; R689-V692 PolarHBondContact O-N 3.24Å; R689-M693 HydrophobicContact CG-CE 3.88Å; R689-M693 HydrophobicContact CG-CG 4.43Å; R689-M693 HydrophobicContact CG-SD 4.07Å; R689-M693 WeakPolarHBondContact O-CB 3.24Å; R689-M693 VanDerWaalsContact O-CG 3.23Å; R689-M693 WeakPolarHBondContact O-CG 3.45Å; R689-M693 PolarHBondContact O-N 3.04Å; R689-Q884 WeakPolarHBondContact CD-O 3.21Å; R689-Q884 HydrophobicContact CG-CB 3.6Å; R689-Q884 HydrophobicContact CG-CG 4.2Å
690	Q	89	Confident	92	Very high	54 Å²	54	35.4 Å²	35.4	25%	0.252	18%	0.177	S	C	.	.	H	α-helix	trans	-60.3	-42.1	176.2	-74.7	173.5	-27.7	0	0	112.1	L647 E648 V686 L687 V692 M693 S694	L647-Q690 PolarHBondContact O-NE2 3.03Å; E648-Q690 PolarHBondContact O-NE2 3.48Å; V686-Q690 PolarHBondContact O-N 2.93Å; V686-Q690 VanDerWaalsContact O-N 3.09Å; L687-Q690 PolarHBondContact O-N 3.05Å; Q690-V692 PolarHBondContact O-N 2.77Å; Q690-M693 PolarHBondContact O-N 3.32Å; Q690-S694 PolarHBondContact O-N 3.09Å
691	A	90.4	Very high	91.9	Very high	6 Å²	6	38.1 Å²	38.1	5%	0.05	19%	0.191	C	C	.	.	H	α-helix	trans	-59.9	-47	176.5	0	0	0	0	0	111.5	V606 L687 L688 R689 S694 F735 L912	V606-A691 HydrophobicContact CG1-CB 4.12Å; L687-A691 PolarHBondContact O-N 3.42Å; L688-A691 WeakPolarHBondContact O-CB 3.5Å; L688-A691 PolarHBondContact O-N 3.46Å; R689-A691 VanDerWaalsContact C-N 3.33Å; R689-A691 PolarHBondContact O-N 2.6Å; A691-S694 WeakPolarHBondContact O-CB 3.44Å; A691-S694 PolarHBondContact O-N 3.31Å; A691-S694 PolarHBondContact O-OG 3.29Å; A691-F735 HydrophobicContact CB-CE1 4.33Å; A691-F735 HydrophobicContact CB-CZ 4.27Å; A691-L912 HydrophobicContact CB-CD1 3.85Å; A691-L912 HydrophobicContact CB-CD2 4.19Å
692	V	91.8	Very high	91.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-68.1	-39.8	177.9	177.1	0	0	0	0	111.4	L688 R689 Q690 S694 S695 P731 F735 L880 Q884	L688-V692 WeakPolarHBondContact O-CG2 3.49Å; L688-V692 PolarHBondContact O-N 2.98Å; R689-V692 PolarHBondContact O-N 3.24Å; Q690-V692 PolarHBondContact O-N 2.77Å; V692-S694 PolarHBondContact O-N 2.74Å; V692-S695 VanDerWaalsContact O-CB 3.23Å; V692-S695 WeakPolarHBondContact O-CB 3.29Å; V692-S695 PolarHBondContact O-N 2.9Å; V692-S695 PolarHBondContact O-OG 2.9Å; V692-P731 HydrophobicContact CG2-CB 3.54Å; V692-P731 HydrophobicContact CG2-CG 3.55Å; V692-F735 HydrophobicContact CG2-CE1 4.12Å; V692-L880 HydrophobicContact CG1-CD1 3.76Å; V692-L880 HydrophobicContact CG1-CD2 4.1Å; V692-L880 HydrophobicContact CG1-CG 3.66Å; V692-Q884 HydrophobicContact CB-CG 3.78Å; V692-Q884 HydrophobicContact CG1-CG 3.53Å
693	M	91	Very high	91.8	Very high	42 Å²	42	47.1 Å²	47.1	21%	0.207	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-22.8	178.7	-80.5	176.3	165.1	0	0	113.7	R689 Q690 S695 Q696 Y881 Q884 I885	R689-M693 HydrophobicContact CG-CE 3.88Å; R689-M693 HydrophobicContact CG-CG 4.43Å; R689-M693 HydrophobicContact CG-SD 4.07Å; R689-M693 WeakPolarHBondContact O-CB 3.24Å; R689-M693 VanDerWaalsContact O-CG 3.23Å; R689-M693 WeakPolarHBondContact O-CG 3.45Å; R689-M693 PolarHBondContact O-N 3.04Å; Q690-M693 PolarHBondContact O-N 3.32Å; M693-S695 PolarHBondContact O-N 3.49Å; M693-S695 VanDerWaalsContact O-N 3.08Å; M693-Q696 VanDerWaalsContact O-CB 3.23Å; M693-Q696 WeakPolarHBondContact O-CB 3.31Å; M693-Q696 PolarHBondContact O-N 3.3Å; M693-Y881 HydrophobicContact CB-CD2 3.91Å; M693-Y881 HydrophobicContact CB-CE2 3.92Å; M693-Y881 HydrophobicContact CG-CD2 3.81Å; M693-Y881 HydrophobicContact CG-CE2 3.83Å; M693-Y881 HydrophobicContact SD-CE2 4.44Å; M693-Q884 HydrophobicContact CE-CB 3.76Å; M693-Q884 HydrophobicContact CG-CB 3.64Å; M693-Q884 HydrophobicContact CG-CG 4.19Å; M693-Q884 HydrophobicContact SD-CB 4.44Å; M693-I885 HydrophobicContact CE-CB 4.34Å; M693-I885 HydrophobicContact CE-CG1 3.62Å
694	S	90.3	Very high	91.6	Very high	41 Å²	41	49.1 Å²	49.1	29%	0.287	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-59.6	-17.2	172.5	73.7	0	0	0	0	113.5	Q690 A691 V692 Q696 R697 P913	Q690-S694 PolarHBondContact O-N 3.09Å; A691-S694 WeakPolarHBondContact O-CB 3.44Å; A691-S694 PolarHBondContact O-N 3.31Å; A691-S694 PolarHBondContact O-OG 3.29Å; V692-S694 PolarHBondContact O-N 2.74Å; S694-Q696 PolarHBondContact O-N 3.33Å; S694-Q696 VanDerWaalsContact O-N 3.14Å; S694-R697 WeakPolarHBondContact O-CG 3.39Å; S694-R697 PolarHBondContact O-N 2.93Å; S694-P913 VanDerWaalsContact OG-CA 3.31Å; S694-P913 WeakPolarHBondContact OG-CA 3.5Å; S694-P913 WeakPolarHBondContact OG-CB 3.45Å; S694-P913 WeakPolarHBondContact OG-CG 3.28Å
695	S	91.1	Very high	91.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-60.9	-15.5	170.5	75	0	0	0	0	113.3	V692 M693 R697 F698 L914	V692-S695 VanDerWaalsContact O-CB 3.23Å; V692-S695 WeakPolarHBondContact O-CB 3.29Å; V692-S695 PolarHBondContact O-N 2.9Å; V692-S695 PolarHBondContact O-OG 2.9Å; M693-S695 PolarHBondContact O-N 3.49Å; M693-S695 VanDerWaalsContact O-N 3.08Å; S695-R697 PolarHBondContact O-N 3.49Å; S695-F698 WeakPolarHBondContact O-CB 3.37Å; S695-F698 WeakPolarHBondContact O-CD2 3.28Å; S695-F698 PolarHBondContact O-N 3.1Å; S695-L914 WeakPolarHBondContact CB-O 3.37Å
696	Q	91.9	Very high	91.3	Very high	101 Å²	101	55.6 Å²	55.6	47%	0.472	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-52.3	-28.6	174.1	-175.2	178.2	15.8	0	0	112.5	M693 S694 F698 I699 Y881	M693-Q696 VanDerWaalsContact O-CB 3.23Å; M693-Q696 WeakPolarHBondContact O-CB 3.31Å; M693-Q696 PolarHBondContact O-N 3.3Å; S694-Q696 PolarHBondContact O-N 3.33Å; S694-Q696 VanDerWaalsContact O-N 3.14Å; Q696-F698 PolarHBondContact O-N 3.29Å; Q696-F698 VanDerWaalsContact O-N 3.15Å; Q696-I699 HydrophobicContact CB-CD1 4.33Å; Q696-I699 HydrophobicContact CG-CD1 4.11Å; Q696-I699 WeakPolarHBondContact O-CB 3.45Å; Q696-I699 PolarHBondContact O-N 3.25Å; Q696-Y881 HydrophobicContact CB-CD2 3.83Å; Q696-Y881 HydrophobicContact CB-CE2 3.99Å; Q696-Y881 HydrophobicContact CB-CG 4.35Å; Q696-Y881 HydrophobicContact CG-CD2 4.37Å; Q696-Y881 HydrophobicContact CG-CE2 4.26Å; Q696-Y881 PolarHBondContact OE1-OH 3.25Å
697	R	93.3	Very high	91.3	Very high	155 Å²	155	56 Å²	56	59%	0.585	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.2	-20.9	177.2	76.2	173.4	-176.7	-176.3	-5.8	114.4	S694 S695 I699 P913	S694-R697 WeakPolarHBondContact O-CG 3.39Å; S694-R697 PolarHBondContact O-N 2.93Å; S695-R697 PolarHBondContact O-N 3.49Å; R697-I699 VanDerWaalsContact C-N 3.35Å; R697-P913 HydrophobicContact CG-CB 4.37Å; R697-P913 VanDerWaalsContact CZ-CB 3.46Å; R697-P913 VanDerWaalsContact NE-CB 3.32Å; R697-P913 VanDerWaalsContact NH1-CD 3.33Å
698	F	94	Very high	91.3	Very high	38 Å²	38	59.9 Å²	59.9	17%	0.167	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-91.7	0.2	179.5	-56.6	-63.3	0	0	0	112.4	S695 Q696 H877 P913 L914 Q915	S695-F698 WeakPolarHBondContact O-CB 3.37Å; S695-F698 WeakPolarHBondContact O-CD2 3.28Å; S695-F698 PolarHBondContact O-N 3.1Å; Q696-F698 PolarHBondContact O-N 3.29Å; Q696-F698 VanDerWaalsContact O-N 3.15Å; F698-H877 HydrophobicContact CB-CB 4.21Å; F698-H877 AromaticContact CD2-CD2 3.86Å; F698-P913 HydrophobicContact CE2-CB 3.93Å; F698-P913 HydrophobicContact CZ-CB 4.42Å; F698-L914 WeakPolarHBondContact CE2-O 3.19Å; F698-Q915 HydrophobicContact CD1-CG 4.21Å; F698-Q915 HydrophobicContact CD2-CB 4.29Å; F698-Q915 HydrophobicContact CD2-CG 4.28Å; F698-Q915 HydrophobicContact CE1-CB 4.19Å; F698-Q915 HydrophobicContact CE1-CG 3.87Å; F698-Q915 HydrophobicContact CE2-CB 3.6Å; F698-Q915 HydrophobicContact CE2-CG 3.96Å; F698-Q915 HydrophobicContact CG-CG 4.37Å; F698-Q915 HydrophobicContact CZ-CB 3.5Å; F698-Q915 VanDerWaalsContact CZ-CB 3.5Å; F698-Q915 HydrophobicContact CZ-CG 3.69Å
699	I	94.3	Very high	91.4	Very high	40 Å²	40	62.8 Å²	62.8	21%	0.205	34%	0.337	C	S	.	.			trans	-87.3	114.9	178	-54.9	173.1	0	0	0	108.6	Q696 R697 I701 H877 A878 Y881	Q696-I699 HydrophobicContact CB-CD1 4.33Å; Q696-I699 HydrophobicContact CG-CD1 4.11Å; Q696-I699 WeakPolarHBondContact O-CB 3.45Å; Q696-I699 PolarHBondContact O-N 3.25Å; R697-I699 VanDerWaalsContact C-N 3.35Å; I699-I701 HydrophobicContact CG2-CD1 4.06Å; I699-I701 HydrophobicContact CG2-CG1 4.03Å; I699-H877 HydrophobicContact CG1-CB 3.96Å; I699-A878 VanDerWaalsContact CD1-CA 3.49Å; I699-A878 HydrophobicContact CD1-CB 3.91Å; I699-A878 HydrophobicContact CG1-CB 4.26Å; I699-A878 HydrophobicContact CG2-CB 4.27Å; I699-Y881 HydrophobicContact CD1-CG 4.47Å
700	S	93.8	Very high	91.5	Very high	76 Å²	76	62.4 Å²	62.4	53%	0.531	35%	0.346	S	S	.	.			trans	-114.2	118.7	172.6	-169.8	0	0	0	0	110.3	S874	S700-S874 PolarHBondContact N-OG 2.85Å; S700-S874 WeakPolarHBondContact O-CB 3.47Å; S700-S874 PolarHBondContact O-OG 3.49Å; S700-S874 VanDerWaalsContact O-OG 3.1Å
701	I	93.8	Very high	91.7	Very high	58 Å²	58	62.7 Å²	62.7	30%	0.297	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.2	177.3	-55.7	-59.8	0	0	0	108.4	I699 Y863 R868	I699-I701 HydrophobicContact CG2-CD1 4.06Å; I699-I701 HydrophobicContact CG2-CG1 4.03Å; I701-Y863 HydrophobicContact CD1-CD1 4.4Å; I701-Y863 HydrophobicContact CD1-CD2 4.02Å; I701-Y863 HydrophobicContact CD1-CE1 3.98Å; I701-Y863 HydrophobicContact CD1-CE2 3.55Å; I701-Y863 HydrophobicContact CD1-CG 4.44Å; I701-Y863 HydrophobicContact CG1-CE1 4.23Å; I701-Y863 HydrophobicContact CG2-CD1 4.3Å; I701-Y863 HydrophobicContact CG2-CE1 4.45Å; I701-R868 HydrophobicContact CG2-CB 3.78Å; I701-R868 HydrophobicContact CG2-CG 4.24Å
702	G	91.1	Very high	91.9	Very high	29 Å²	29	65 Å²	65	30%	0.299	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	173.9	177.9	0	0	0	0	0	112.8	R868 T869	G702-R868 WeakPolarHBondContact O-CA 3.4Å; G702-T869 VanDerWaalsContact C-OG1 3.26Å; G702-T869 VanDerWaalsContact CA-OG1 3.22Å; G702-T869 WeakPolarHBondContact CA-OG1 3.16Å; G702-T869 PolarHBondContact N-O 3.29Å; G702-T869 PolarHBondContact O-N 2.89Å
703	Q	90.5	Very high	92.1	Very high	186 Å²	186	65.3 Å²	65.3	87%	0.869	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	142.5	171.5	-67.4	-157.2	-3.8	0	0	111.1
704	G	89.1	Confident	92.3	Very high	42 Å²	42	64.3 Å²	64.3	43%	0.433	35%	0.351	S	S	.	.			trans	-140.9	-167.6	173.6	0	0	0	0	0	110.7	G867	G704-G867 CarbonylContact C-O 3.56Å; G704-G867 VanDerWaalsContact C-O 3.29Å; G704-G867 WeakPolarHBondContact CA-O 3.48Å; G704-G867 PolarHBondContact N-O 3.39Å
705	E	87.8	Confident	92.6	Very high	187 Å²	187	62.3 Å²	62.3	87%	0.874	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-85.7	131.2	177.7	-167.1	173.7	-177	0	0	110.6	P707	E705-P707 WeakPolarHBondContact O-CD 3.33Å
706	A	88.8	Confident	92.8	Very high	36 Å²	36	63.4 Å²	63.4	30%	0.298	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-79.1	122.4	-178.9	0	0	0	0	0	110.8	R760 G867	A706-R760 PolarHBondContact O-NH2 3.02Å; A706-G867 VanDerWaalsContact CA-CA 3.47Å
707	P	91.6	Very high	93	Very high	19 Å²	19	58.6 Å²	58.6	12%	0.123	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-58	147.2	179.4	-23.4	32.4	0	0	0	112.3	E705 E711 Q713 R760 R864	E705-P707 WeakPolarHBondContact O-CD 3.33Å; P707-E711 HydrophobicContact CB-CB 4.37Å; P707-Q713 HydrophobicContact CG-CG 3.98Å; P707-R760 PolarHBondContact O-NE 3.01Å; P707-R760 PolarHBondContact O-NH2 3.06Å; P707-R864 WeakPolarHBondContact CD-O 3.3Å; P707-R864 WeakPolarHBondContact CG-O 3.41Å
708	P	92.4	Very high	93.1	Very high	85 Å²	85	51.2 Å²	51.2	55%	0.552	29%	0.292	S	S	*	.			trans	-43.3	144.1	174.3	-29.8	31.9	0	0	0	114.2	G710 E711	P708-G710 PolarHBondContact O-N 3.22Å; P708-E711 VanDerWaalsContact CD-OE2 3.29Å; P708-E711 WeakPolarHBondContact CD-OE2 3.45Å; P708-E711 VanDerWaalsContact O-CB 3.3Å; P708-E711 WeakPolarHBondContact O-CB 3.31Å; P708-E711 PolarHBondContact O-N 3.47Å; P708-E711 VanDerWaalsContact O-N 3.09Å
709	I	92.3	Very high	93.2	Very high	82 Å²	82	49.4 Å²	49.4	42%	0.421	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	133.4	174.5	-64.2	179.1	0	0	0	108.9	R760 V762	I709-R760 HydrophobicContact CG1-CB 4.26Å; I709-R760 WeakPolarHBondContact CG2-O 3.49Å; I709-V762 HydrophobicContact CG2-CG2 3.86Å
710	G	92.6	Very high	93.2	Very high	33 Å²	33	47.7 Å²	47.7	34%	0.34	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-15.9	-176.6	0	0	0	0	0	114.8	P708 R759 R760	P708-G710 PolarHBondContact O-N 3.22Å; G710-R759 VanDerWaalsContact O-CD 3.28Å; G710-R759 WeakPolarHBondContact O-CD 3.04Å; G710-R760 PolarHBondContact N-O 3.17Å
711	E	94.2	Very high	93.3	Very high	61 Å²	61	44 Å²	44	29%	0.285	25%	0.25	S	C	.	.			trans	-78.8	127.3	-178.1	-168	179.7	140.8	0	0	112.3	P707 P708 Q713 R759	P707-E711 HydrophobicContact CB-CB 4.37Å; P708-E711 VanDerWaalsContact CD-OE2 3.29Å; P708-E711 WeakPolarHBondContact CD-OE2 3.45Å; P708-E711 VanDerWaalsContact O-CB 3.3Å; P708-E711 WeakPolarHBondContact O-CB 3.31Å; P708-E711 PolarHBondContact O-N 3.47Å; P708-E711 VanDerWaalsContact O-N 3.09Å; E711-Q713 PolarHBondContact OE1-NE2 3.13Å; E711-R759 WeakPolarHBondContact O-CB 3.25Å
712	W	94.5	Very high	93.4	Very high	53 Å²	53	41.4 Å²	41.4	20%	0.201	24%	0.236	C	C	.	.			trans	-78.8	126.1	178	-73.9	110.3	0	0	0	112	R757 R759 E835 H837	W712-R757 HydrophobicContact CD2-CG 4.25Å; W712-R757 HydrophobicContact CE3-CB 3.78Å; W712-R757 HydrophobicContact CE3-CG 3.5Å; W712-R757 HydrophobicContact CH2-CG 4.25Å; W712-R757 HydrophobicContact CZ3-CB 4.17Å; W712-R757 HydrophobicContact CZ3-CG 3.52Å; W712-R759 HydrophobicContact CD2-CB 4.14Å; W712-R759 HydrophobicContact CD2-CG 4.03Å; W712-R759 HydrophobicContact CE3-CB 3.87Å; W712-R759 HydrophobicContact CE3-CG 3.83Å; W712-R759 HydrophobicContact CH2-CG 3.93Å; W712-R759 HydrophobicContact CZ2-CG 4.11Å; W712-R759 VanDerWaalsContact CZ2-CZ 3.48Å; W712-R759 VanDerWaalsContact CZ2-NE 3.3Å; W712-R759 HydrophobicContact CZ3-CB 4.24Å; W712-R759 HydrophobicContact CZ3-CG 3.77Å; W712-E835 HydrophobicContact CH2-CB 4.33Å; W712-E835 HydrophobicContact CH2-CG 3.73Å; W712-E835 WeakPolarHBondContact CH2-OE1 3.45Å; W712-E835 HydrophobicContact CZ3-CG 4.45Å; W712-H837 AromaticContact CH2-CD2 3.68Å; W712-H837 AromaticContact CH2-CE1 3.81Å; W712-H837 AromaticContact CH2-NE2 3.54Å
713	Q	95.6	Very high	93.6	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	110.5	164.2	-60.6	-58	-59.4	0	0	108.3	P707 E711 R757 A758 R864 C865	P707-Q713 HydrophobicContact CG-CG 3.98Å; E711-Q713 PolarHBondContact OE1-NE2 3.13Å; Q713-R757 CarbonylContact O-C 3.58Å; Q713-R757 WeakPolarHBondContact O-CA 3.12Å; Q713-A758 PolarHBondContact N-O 3.21Å; Q713-A758 PolarHBondContact O-N 2.86Å; Q713-R864 HydrophobicContact CB-CB 4.01Å; Q713-R864 HydrophobicContact CG-CB 3.96Å; Q713-R864 VanDerWaalsContact OE1-NH2 3.15Å; Q713-C865 HydrophobicContact CB-CB 4.3Å; Q713-C865 HydrophobicContact CG-CB 3.92Å
714	E	95.5	Very high	93.9	Very high	20 Å²	20	31.3 Å²	31.3	9%	0.093	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.5	-172	-176.3	166.2	144.2	0	0	111.1	R757 R775 W839 I1078 R1079	E714-R757 HydrophobicContact CB-CB 4.14Å; E714-R757 HydrophobicContact CG-CB 4.3Å; E714-R775 IonicContact OE1-CZ 3.4Å; E714-R775 IonicContact OE1-NH1 2.69Å; E714-R775 PolarHBondContact OE1-NH1 3.22Å; E714-R775 IonicContact OE1-NH2 2.69Å; E714-R775 IonicContact OE2-CZ 3.38Å; E714-R775 IonicContact OE2-NH1 3.42Å; E714-R775 PolarHBondContact OE2-NH1 2.92Å; E714-R775 IonicContact OE2-NH2 3.16Å; E714-R775 PolarHBondContact OE2-NH2 2.84Å; E714-W839 HydrophobicContact CG-CH2 4.06Å; E714-I1078 WeakPolarHBondContact O-CA 3.49Å; E714-R1079 HydrophobicContact CB-CB 4.15Å; E714-R1079 HydrophobicContact CG-CB 4.19Å; E714-R1079 HydrophobicContact CG-CG 4.49Å; E714-R1079 PolarHBondContact O-N 2.72Å; E714-R1079 VanDerWaalsContact OE1-CD 3.32Å; E714-R1079 WeakPolarHBondContact OE1-CD 3.41Å
715	V	95.5	Very high	94.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.4	-175.4	-179.8	0	0	0	0	109.4	G755 A756 A857 A860 A861 I1076 A1077	V715-G755 CarbonylContact O-C 3.57Å; V715-G755 WeakPolarHBondContact O-CA 2.9Å; V715-A756 PolarHBondContact N-O 3.48Å; V715-A756 PolarHBondContact O-N 3.31Å; V715-A857 HydrophobicContact CG1-CB 4.11Å; V715-A860 HydrophobicContact CG1-CB 4.31Å; V715-A860 HydrophobicContact CG2-CB 4.12Å; V715-A861 HydrophobicContact CG2-CB 4.17Å; V715-I1076 HydrophobicContact CG1-CD1 3.64Å; V715-I1076 HydrophobicContact CG1-CG1 3.48Å; V715-I1076 VanDerWaalsContact CG1-CG1 3.48Å; V715-A1077 WeakPolarHBondContact CA-O 3.4Å
716	E	95.6	Very high	94.6	Very high	23 Å²	23	20.6 Å²	20.6	11%	0.107	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.6	173.8	-68.2	-172.1	154.7	0	0	111.1	R752 I754 W839 A1077 R1079	E716-R752 HydrophobicContact CB-CB 4.05Å; E716-I754 WeakPolarHBondContact CA-O 3.41Å; E716-W839 HydrophobicContact CG-CZ2 4.33Å; E716-A1077 PolarHBondContact N-O 3.29Å; E716-A1077 PolarHBondContact O-N 2.98Å; E716-R1079 IonicContact OE1-CZ 3.54Å; E716-R1079 IonicContact OE1-NE 2.99Å; E716-R1079 PolarHBondContact OE1-NE 2.88Å; E716-R1079 VanDerWaalsContact OE1-NE 3.11Å; E716-R1079 IonicContact OE1-NH1 3.79Å; E716-R1079 IonicContact OE1-NH2 2.8Å; E716-R1079 PolarHBondContact OE1-NH2 3.42Å; E716-R1079 IonicContact OE2-CZ 2.72Å; E716-R1079 IonicContact OE2-NE 3.11Å; E716-R1079 PolarHBondContact OE2-NE 3.14Å; E716-R1079 IonicContact OE2-NH2 2.72Å; E716-R1079 PolarHBondContact OE2-NH2 3.46Å
717	C	96.3	Very high	94.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.1	-178.2	-62.1	0	0	0	0	111.2	R752 I754 I853	C717-R752 WeakPolarHBondContact O-CB 3.48Å; C717-I754 HydrophobicContact CB-CB 4.44Å; C717-I754 PolarHBondContact N-O 3.48Å; C717-I754 PolarHBondContact O-N 2.89Å; C717-I853 HydrophobicContact CB-CG2 3.32Å
718	P	96.2	Very high	95.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.			trans	-68.1	166.9	167.8	31.1	-35.9	0	0	0	111.5	V746 G898 D1072 G1075	P718-V746 VanDerWaalsContact CB-O 3.3Å; P718-V746 WeakPolarHBondContact CB-O 3.36Å; P718-G898 WeakPolarHBondContact CD-O 3.38Å; P718-D1072 HydrophobicContact CB-CB 3.62Å; P718-D1072 HydrophobicContact CG-CB 3.92Å; P718-G1075 WeakPolarHBondContact CD-O 3.39Å
719	A	95.5	Very high	95.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	175.5	163.8	0	0	0	0	0	110.3	S745 V746 V748 P753 L842 L848	A719-S745 WeakPolarHBondContact O-CA 3.36Å; A719-V746 HydrophobicContact CB-CG2 4.1Å; A719-V746 PolarHBondContact N-O 2.82Å; A719-V746 PolarHBondContact O-N 2.67Å; A719-V748 HydrophobicContact CB-CG2 4.07Å; A719-P753 HydrophobicContact CB-CG 4.16Å; A719-L842 HydrophobicContact CB-CD1 4Å; A719-L848 HydrophobicContact CB-CB 4.28Å; A719-L848 HydrophobicContact CB-CD1 4.4Å
720	R	95.1	Very high	95.3	Very high	3 Å²	3	11 Å²	11	1%	0.011	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.1	179.8	66.4	92.7	-165.9	119.8	-2.4	114	D722 V744 G847 G849 I853 D894 G897	R720-D722 WeakPolarHBondContact CD-OD1 3.34Å; R720-D722 IonicContact CZ-OD2 3.86Å; R720-D722 VanDerWaalsContact CZ-OD2 3.32Å; R720-D722 IonicContact NE-OD1 2.8Å; R720-D722 IonicContact NE-OD2 3.52Å; R720-D722 IonicContact NH1-OD1 2.73Å; R720-D722 IonicContact NH1-OD2 3.13Å; R720-D722 PolarHBondContact NH1-OD2 3.13Å; R720-D722 IonicContact NH2-OD2 3.86Å; R720-V744 WeakPolarHBondContact CA-O 3.22Å; R720-G847 VanDerWaalsContact CZ-O 3.24Å; R720-G847 PolarHBondContact NH1-O 3.37Å; R720-G847 PolarHBondContact NH2-O 3.39Å; R720-G849 VanDerWaalsContact NH2-N 3.14Å; R720-I853 HydrophobicContact CB-CD1 4.34Å; R720-I853 HydrophobicContact CG-CD1 3.81Å; R720-D894 IonicContact CZ-OD1 2.7Å; R720-D894 IonicContact NE-OD1 2.68Å; R720-D894 PolarHBondContact NE-OD1 3.46Å; R720-D894 IonicContact NH2-OD1 3.12Å; R720-D894 PolarHBondContact NH2-OD1 3.5Å; R720-D894 IonicContact NH2-OD2 2.82Å; R720-G897 WeakPolarHBondContact CB-O 3.42Å
721	L	95.4	Very high	95.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.8	173.8	-54.5	175.9	0	0	0	110.7	N743 V744 V746 L848 L935 L937 Y1039 V1069	L721-N743 CarbonylContact O-C 3.56Å; L721-N743 VanDerWaalsContact O-CA 3.23Å; L721-N743 WeakPolarHBondContact O-CA 3.48Å; L721-N743 VanDerWaalsContact O-CB 3.25Å; L721-N743 WeakPolarHBondContact O-CB 3.19Å; L721-V744 HydrophobicContact CB-CG1 3.86Å; L721-V744 PolarHBondContact N-O 2.94Å; L721-V744 PolarHBondContact O-N 3.45Å; L721-V746 HydrophobicContact CD1-CG1 3.94Å; L721-V746 HydrophobicContact CD1-CG2 4.13Å; L721-V746 HydrophobicContact CG-CG1 4.26Å; L721-V746 HydrophobicContact CG-CG2 3.93Å; L721-L848 HydrophobicContact CD2-CD2 3.32Å; L721-L935 HydrophobicContact CD1-CD1 4.26Å; L721-L935 HydrophobicContact CD1-CD2 3.86Å; L721-L935 HydrophobicContact CD1-CG 4.24Å; L721-L937 HydrophobicContact CD2-CD2 3.77Å; L721-Y1039 HydrophobicContact CB-CD2 4.48Å; L721-Y1039 HydrophobicContact CD1-CG 4.44Å; L721-Y1039 HydrophobicContact CD2-CD1 4.14Å; L721-Y1039 HydrophobicContact CD2-CG 4.13Å; L721-V1069 HydrophobicContact CD1-CG1 4.34Å
722	D	95.4	Very high	95.3	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.011	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.7	179.1	-47.4	-50.7	0	0	0	108.5	R720 V741 Q893 Y1039	R720-D722 WeakPolarHBondContact CD-OD1 3.34Å; R720-D722 IonicContact CZ-OD2 3.86Å; R720-D722 VanDerWaalsContact CZ-OD2 3.32Å; R720-D722 IonicContact NE-OD1 2.8Å; R720-D722 IonicContact NE-OD2 3.52Å; R720-D722 IonicContact NH1-OD1 2.73Å; R720-D722 IonicContact NH1-OD2 3.13Å; R720-D722 PolarHBondContact NH1-OD2 3.13Å; R720-D722 IonicContact NH2-OD2 3.86Å; D722-V741 HydrophobicContact CB-CG1 4.39Å; D722-Q893 VanDerWaalsContact CG-OE1 3.3Å; D722-Q893 PolarHBondContact OD2-OE1 3.33Å; D722-Y1039 WeakPolarHBondContact O-CE2 3.32Å; D722-Y1039 PolarHBondContact O-OH 3.31Å
723	L	95.8	Very high	95.4	Very high	3 Å²	3	4.4 Å²	4.4	2%	0.016	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-41.3	-177.2	-59.4	176.7	0	0	0	110.9	T742 V744 V903 C978 L990	L723-T742 WeakPolarHBondContact CA-O 3.26Å; L723-T742 WeakPolarHBondContact CB-O 3.33Å; L723-T742 HydrophobicContact CD1-CG2 4.35Å; L723-T742 PolarHBondContact N-O 2.92Å; L723-V744 HydrophobicContact CD1-CB 4.32Å; L723-V744 HydrophobicContact CD1-CG1 4.29Å; L723-V744 HydrophobicContact CD2-CG1 3.97Å; L723-V744 HydrophobicContact CG-CG1 4.14Å; L723-V903 HydrophobicContact CD1-CG1 4.31Å; L723-C978 WeakPolarHBondContact CB-SG 3.27Å; L723-L990 HydrophobicContact CB-CD1 4.16Å; L723-L990 HydrophobicContact CD1-CD1 4.08Å; L723-L990 HydrophobicContact CD2-CD1 4.44Å; L723-L990 HydrophobicContact CG-CD1 4.46Å
724	A	97.2	Very high	95.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.8	173.1	0	0	0	0	0	111.7	T742 C978	A724-T742 PolarHBondContact N-O 3.21Å; A724-T742 PolarHBondContact O-N 3.23Å; A724-C978 HydrophobicContact CB-CB 3.57Å
725	G	96	Very high	95.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.			trans	95.1	-9	171.6	0	0	0	0	0	116.7	S728 S740	G725-S728 VanDerWaalsContact O-CB 3.27Å; G725-S728 WeakPolarHBondContact O-CB 3.43Å; G725-S728 PolarHBondContact O-N 3.35Å; G725-S728 PolarHBondContact O-OG 3.39Å; G725-S740 WeakPolarHBondContact CA-O 3.35Å
726	G	94.1	Very high	95.2	Very high	4 Å²	4	6 Å²	6	4%	0.041	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	142.5	-179.3	0	0	0	0	0	113.2	S728 Q893 L971	G726-S728 VanDerWaalsContact C-N 3.35Å; G726-Q893 VanDerWaalsContact CA-OE1 3.31Å; G726-L971 WeakPolarHBondContact O-CD2 3.33Å
727	W	94.7	Very high	95.1	Very high	17 Å²	17	7.2 Å²	7.2	6%	0.064	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-23.6	-165.2	-62.6	112.6	0	0	0	115.4	D729 T730 L949 L950 V953 L971 M1004 A1005 A1032	W727-D729 WeakPolarHBondContact CA-OD1 3.37Å; W727-D729 PolarHBondContact N-OD1 2.97Å; W727-D729 PolarHBondContact O-N 3.5Å; W727-T730 HydrophobicContact CE3-CG2 4.22Å; W727-T730 HydrophobicContact CZ3-CG2 4.38Å; W727-T730 WeakPolarHBondContact O-CB 3.2Å; W727-T730 PolarHBondContact O-N 2.93Å; W727-L949 HydrophobicContact CH2-CB 4.46Å; W727-L949 HydrophobicContact CZ2-CB 4.48Å; W727-L950 HydrophobicContact CH2-CB 4.28Å; W727-L950 HydrophobicContact CZ3-CB 4.24Å; W727-L950 HydrophobicContact CZ3-CD1 3.8Å; W727-V953 HydrophobicContact CD2-CG2 4.13Å; W727-V953 HydrophobicContact CE3-CB 4.36Å; W727-V953 HydrophobicContact CE3-CG1 4.05Å; W727-V953 HydrophobicContact CE3-CG2 3.98Å; W727-V953 HydrophobicContact CH2-CG2 4.06Å; W727-V953 HydrophobicContact CZ2-CG2 4.18Å; W727-V953 HydrophobicContact CZ3-CB 4.32Å; W727-V953 HydrophobicContact CZ3-CG1 4.45Å; W727-V953 HydrophobicContact CZ3-CG2 3.96Å; W727-L971 HydrophobicContact CB-CD1 4.2Å; W727-M1004 HydrophobicContact CB-CB 4.43Å; W727-M1004 HydrophobicContact CB-CE 3.94Å; W727-M1004 HydrophobicContact CB-CG 4.04Å; W727-M1004 HydrophobicContact CG-CB 4.08Å; W727-M1004 HydrophobicContact CG-CG 4.19Å; W727-A1005 HydrophobicContact CZ2-CB 3.95Å; W727-A1032 HydrophobicContact CH2-CB 3.83Å; W727-A1032 HydrophobicContact CZ2-CB 3.58Å
728	S	96.8	Very high	95.1	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.007	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.2	172.6	72.8	0	0	0	0	112.6	G725 G726 T730 A734 G739 S740	G725-S728 VanDerWaalsContact O-CB 3.27Å; G725-S728 WeakPolarHBondContact O-CB 3.43Å; G725-S728 PolarHBondContact O-N 3.35Å; G725-S728 PolarHBondContact O-OG 3.39Å; G726-S728 VanDerWaalsContact C-N 3.35Å; S728-T730 VanDerWaalsContact C-N 3.31Å; S728-A734 WeakPolarHBondContact O-CA 3.33Å; S728-G739 VanDerWaalsContact O-CA 3.26Å; S728-G739 WeakPolarHBondContact O-CA 3.41Å; S728-S740 PolarHBondContact OG-N 3.35Å; S728-S740 PolarHBondContact OG-O 2.84Å
729	D	96	Very high	95.2	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.3	175.6	67.3	-50	0	0	0	114.2	W727 P731 A734 V741 G891 W892 Q893	W727-D729 WeakPolarHBondContact CA-OD1 3.37Å; W727-D729 PolarHBondContact N-OD1 2.97Å; W727-D729 PolarHBondContact O-N 3.5Å; D729-P731 WeakPolarHBondContact O-CD 3.28Å; D729-A734 WeakPolarHBondContact O-CB 3.49Å; D729-V741 HydrophobicContact CB-CG2 3.78Å; D729-G891 VanDerWaalsContact O-CA 3.23Å; D729-G891 WeakPolarHBondContact O-CA 3.48Å; D729-G891 WeakPolarHBondContact OD2-CA 3.48Å; D729-W892 HydrophobicContact CB-CD2 3.67Å; D729-W892 VanDerWaalsContact CB-CE2 3.42Å; D729-W892 HydrophobicContact CB-CE3 4.13Å; D729-W892 HydrophobicContact CB-CG 4.08Å; D729-W892 HydrophobicContact CB-CH2 4.08Å; D729-W892 HydrophobicContact CB-CZ2 3.67Å; D729-W892 HydrophobicContact CB-CZ3 4.3Å; D729-W892 VanDerWaalsContact O-CD1 3.26Å; D729-W892 PolarHBondContact O-N 2.93Å; D729-W892 PolarHBondContact O-NE1 3.08Å; D729-W892 PolarHBondContact OD2-N 3.25Å; D729-Q893 HydrophobicContact CB-CB 4.25Å; D729-Q893 VanDerWaalsContact CG-NE2 3.28Å; D729-Q893 PolarHBondContact OD1-NE2 2.87Å; D729-Q893 VanDerWaalsContact OD2-CB 3.23Å; D729-Q893 WeakPolarHBondContact OD2-CB 3.1Å; D729-Q893 WeakPolarHBondContact OD2-CG 3.48Å; D729-Q893 PolarHBondContact OD2-N 3.41Å; D729-Q893 PolarHBondContact OD2-NE2 2.88Å
730	T	94.3	Very high	95.3	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.025	4%	0.041	C	C	.	.	S	Bend	trans	-85.1	122.6	-172.2	-61.3	0	0	0	0	110.9	W727 S728 I733 A734 L950	W727-T730 HydrophobicContact CE3-CG2 4.22Å; W727-T730 HydrophobicContact CZ3-CG2 4.38Å; W727-T730 WeakPolarHBondContact O-CB 3.2Å; W727-T730 PolarHBondContact O-N 2.93Å; S728-T730 VanDerWaalsContact C-N 3.31Å; T730-I733 WeakPolarHBondContact O-CA 3.4Å; T730-I733 WeakPolarHBondContact O-CB 3.44Å; T730-I733 PolarHBondContact O-N 3.37Å; T730-A734 PolarHBondContact O-N 3.09Å; T730-L950 HydrophobicContact CG2-CD1 3.31Å
731	P	93.1	Very high	95.4	Very high	6 Å²	6	7.7 Å²	7.7	4%	0.039	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	138.9	170.3	-23.9	35.9	0	0	0	111.4	L688 V692 D729 F735 G890 L914	L688-P731 HydrophobicContact CD1-CB 3.79Å; L688-P731 HydrophobicContact CG-CB 4.34Å; V692-P731 HydrophobicContact CG2-CB 3.54Å; V692-P731 HydrophobicContact CG2-CG 3.55Å; D729-P731 WeakPolarHBondContact O-CD 3.28Å; P731-F735 HydrophobicContact CB-CD1 4.21Å; P731-F735 HydrophobicContact CB-CE1 3.84Å; P731-G890 WeakPolarHBondContact CD-O 3.09Å; P731-L914 HydrophobicContact CG-CD2 4.15Å
732	P	93.7	Very high	95.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	cis	-84	-10.6	6.8	36.2	-42.1	0	0	0	115.5	L688 A734 F735 E736 W957 Y958	L688-P732 HydrophobicContact CD1-CB 3.9Å; P732-A734 PolarHBondContact O-N 2.97Å; P732-F735 HydrophobicContact CB-CE1 4.15Å; P732-F735 HydrophobicContact CB-CE2 3.76Å; P732-F735 HydrophobicContact CB-CZ 3.49Å; P732-F735 VanDerWaalsContact CB-CZ 3.49Å; P732-F735 PolarHBondContact O-N 3.39Å; P732-F735 VanDerWaalsContact O-N 3.11Å; P732-E736 HydrophobicContact CB-CG 4.19Å; P732-E736 PolarHBondContact O-N 3.49Å; P732-W957 VanDerWaalsContact CG-CD1 3.41Å; P732-W957 HydrophobicContact CG-CG 4.45Å; P732-Y958 HydrophobicContact CB-CE1 4.04Å; P732-Y958 HydrophobicContact CG-CD1 4.29Å; P732-Y958 HydrophobicContact CG-CE1 3.59Å; P732-Y958 HydrophobicContact CG-CE2 4.27Å
733	I	95.6	Very high	95.7	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-51.8	-46.2	-174.9	-55.4	164.1	0	0	0	110.5	T730 F735 E736 H737 G738 V953 W957 A968 M1004	T730-I733 WeakPolarHBondContact O-CA 3.4Å; T730-I733 WeakPolarHBondContact O-CB 3.44Å; T730-I733 PolarHBondContact O-N 3.37Å; I733-F735 VanDerWaalsContact C-N 3.26Å; I733-F735 PolarHBondContact O-N 2.97Å; I733-F735 VanDerWaalsContact O-N 3.16Å; I733-E736 PolarHBondContact O-N 3.2Å; I733-H737 HydrophobicContact CG2-CB 4.38Å; I733-H737 PolarHBondContact O-N 2.84Å; I733-G738 PolarHBondContact O-N 2.9Å; I733-V953 HydrophobicContact CD1-CG1 3.93Å; I733-W957 HydrophobicContact CB-CD2 4.44Å; I733-W957 HydrophobicContact CB-CZ2 4.49Å; I733-W957 HydrophobicContact CD1-CD2 4.38Å; I733-W957 HydrophobicContact CD1-CE3 4.39Å; I733-W957 HydrophobicContact CD1-CG 4.46Å; I733-W957 HydrophobicContact CG1-CB 4.27Å; I733-W957 HydrophobicContact CG1-CD2 3.52Å; I733-W957 HydrophobicContact CG1-CE3 3.86Å; I733-W957 HydrophobicContact CG1-CG 3.7Å; I733-W957 HydrophobicContact CG1-CZ2 4.42Å; I733-W957 HydrophobicContact CG1-CZ3 4.44Å; I733-W957 HydrophobicContact CG2-CE3 4.5Å; I733-W957 HydrophobicContact CG2-CH2 4.17Å; I733-W957 HydrophobicContact CG2-CZ2 4.3Å; I733-W957 HydrophobicContact CG2-CZ3 4.27Å; I733-A968 HydrophobicContact CG2-CB 4.29Å; I733-M1004 HydrophobicContact CD1-CE 3.62Å
734	A	95.3	Very high	95.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-56.4	-32.2	-177.3	0	0	0	0	0	115.3	S728 D729 T730 P732 G738 S908 L914	S728-A734 WeakPolarHBondContact O-CA 3.33Å; D729-A734 WeakPolarHBondContact O-CB 3.49Å; T730-A734 PolarHBondContact O-N 3.09Å; P732-A734 PolarHBondContact O-N 2.97Å; A734-G738 VanDerWaalsContact O-CA 3.26Å; A734-G738 WeakPolarHBondContact O-CA 3.15Å; A734-G738 PolarHBondContact O-N 3.14Å; A734-S908 PolarHBondContact O-OG 3.21Å; A734-L914 HydrophobicContact CB-CD1 4.11Å; A734-L914 HydrophobicContact CB-CD2 4.28Å
735	F	93	Very high	95.7	Very high	11 Å²	11	7.4 Å²	7.4	5%	0.048	4%	0.039	C	C	.	.	H	α-helix	trans	-109.3	-13.2	-179.6	62.9	-115.3	0	0	0	113.6	L688 A691 V692 P731 P732 I733 A910 S911 L912 L914	L688-F735 HydrophobicContact CD1-CE1 3.58Å; L688-F735 HydrophobicContact CD1-CZ 3.51Å; A691-F735 HydrophobicContact CB-CE1 4.33Å; A691-F735 HydrophobicContact CB-CZ 4.27Å; V692-F735 HydrophobicContact CG2-CE1 4.12Å; P731-F735 HydrophobicContact CB-CD1 4.21Å; P731-F735 HydrophobicContact CB-CE1 3.84Å; P732-F735 HydrophobicContact CB-CE1 4.15Å; P732-F735 HydrophobicContact CB-CE2 3.76Å; P732-F735 HydrophobicContact CB-CZ 3.49Å; P732-F735 VanDerWaalsContact CB-CZ 3.49Å; P732-F735 PolarHBondContact O-N 3.39Å; P732-F735 VanDerWaalsContact O-N 3.11Å; I733-F735 VanDerWaalsContact C-N 3.26Å; I733-F735 PolarHBondContact O-N 2.97Å; I733-F735 VanDerWaalsContact O-N 3.16Å; F735-A910 CarbonylContact O-C 3.36Å; F735-A910 VanDerWaalsContact O-CA 3.27Å; F735-A910 WeakPolarHBondContact O-CA 3.44Å; F735-S911 PolarHBondContact O-N 3.4Å; F735-S911 VanDerWaalsContact O-N 3.07Å; F735-L912 HydrophobicContact CB-CD2 3.88Å; F735-L912 HydrophobicContact CB-CG 4.18Å; F735-L912 HydrophobicContact CD1-CD2 3.8Å; F735-L912 HydrophobicContact CD2-CD1 4.26Å; F735-L912 HydrophobicContact CD2-CD2 4.16Å; F735-L912 HydrophobicContact CD2-CG 4.06Å; F735-L912 HydrophobicContact CE1-CD2 4.31Å; F735-L912 HydrophobicContact CE2-CD1 4.38Å; F735-L912 HydrophobicContact CG-CD2 3.7Å; F735-L912 HydrophobicContact CG-CG 4.05Å; F735-L914 HydrophobicContact CB-CD1 4.3Å
736	E	93.3	Very high	95.7	Very high	51 Å²	51	7.4 Å²	7.4	24%	0.238	4%	0.039	C	C	.	.	H	α-helix	trans	-90.2	-35	174.3	-71.4	-175	178.1	0	0	112.5	P732 I733 W957 R960	P732-E736 HydrophobicContact CB-CG 4.19Å; P732-E736 PolarHBondContact O-N 3.49Å; I733-E736 PolarHBondContact O-N 3.2Å; E736-W957 HydrophobicContact CB-CZ2 4.2Å; E736-W957 PolarHBondContact OE2-NE1 3.07Å; E736-R960 IonicContact OE2-CZ 3.61Å; E736-R960 IonicContact OE2-NH1 3.4Å; E736-R960 PolarHBondContact OE2-NH1 2.86Å; E736-R960 IonicContact OE2-NH2 2.8Å; E736-R960 PolarHBondContact OE2-NH2 3.25Å
737	H	95.1	Very high	95.8	Very high	48 Å²	48	10 Å²	10	22%	0.222	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-28.1	-178.5	174.5	-82.9	0	0	0	112.3	I733 W957 Q969	I733-H737 HydrophobicContact CG2-CB 4.38Å; I733-H737 PolarHBondContact O-N 2.84Å; H737-W957 HydrophobicContact CB-CH2 3.67Å; H737-W957 HydrophobicContact CB-CZ2 3.88Å; H737-Q969 PolarHBondContact NE2-OE1 3.45Å
738	G	95.8	Very high	95.8	Very high	7 Å²	7	9.6 Å²	9.6	7%	0.072	5%	0.049	C	C	.	.			trans	92.7	149.6	-167.3	0	0	0	0	0	111	I733 A734 S908	I733-G738 PolarHBondContact O-N 2.9Å; A734-G738 VanDerWaalsContact O-CA 3.26Å; A734-G738 WeakPolarHBondContact O-CA 3.15Å; A734-G738 PolarHBondContact O-N 3.14Å; G738-S908 WeakPolarHBondContact CA-O 3.44Å
739	G	97.4	Very high	95.7	Very high	4 Å²	4	13.2 Å²	13.2	4%	0.041	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.6	-176.6	0	0	0	0	0	111.9	S728 R907 S908	S728-G739 VanDerWaalsContact O-CA 3.26Å; S728-G739 WeakPolarHBondContact O-CA 3.41Å; G739-R907 CarbonylContact O-C 3.56Å; G739-R907 VanDerWaalsContact O-CA 3.3Å; G739-R907 WeakPolarHBondContact O-CA 2.95Å; G739-S908 PolarHBondContact N-O 2.72Å; G739-S908 VanDerWaalsContact N-O 3.12Å; G739-S908 PolarHBondContact N-OG 3.35Å; G739-S908 VanDerWaalsContact N-OG 3.07Å; G739-S908 PolarHBondContact O-N 2.76Å
740	S	98.3	Very high	95.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.014	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	124.9	170.1	177.7	0	0	0	0	108.9	G725 S728 G906 S975 E976	G725-S740 WeakPolarHBondContact CA-O 3.35Å; S728-S740 PolarHBondContact OG-N 3.35Å; S728-S740 PolarHBondContact OG-O 2.84Å; S740-G906 WeakPolarHBondContact CA-O 3.11Å; S740-S975 VanDerWaalsContact C-OG 3.27Å; S740-S975 WeakPolarHBondContact O-CB 3.42Å; S740-S975 PolarHBondContact O-OG 2.93Å; S740-S975 WeakPolarHBondContact OG-CB 3.33Å; S740-S975 PolarHBondContact OG-OG 2.96Å; S740-E976 WeakPolarHBondContact CB-OE1 3.25Å; S740-E976 PolarHBondContact OG-OE1 3.16Å
741	V	98.4	Very high	95.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.8	177.7	-174.9	0	0	0	0	109.4	D722 D729 N743 W892 Q893 V905 G906 S975	D722-V741 HydrophobicContact CB-CG1 4.39Å; D729-V741 HydrophobicContact CB-CG2 3.78Å; V741-N743 HydrophobicContact CG1-CB 4.39Å; V741-W892 HydrophobicContact CB-CH2 4.04Å; V741-W892 HydrophobicContact CB-CZ3 4.09Å; V741-W892 HydrophobicContact CG2-CH2 3.89Å; V741-W892 HydrophobicContact CG2-CZ3 4.22Å; V741-Q893 HydrophobicContact CB-CB 4.26Å; V741-Q893 HydrophobicContact CG1-CB 3.96Å; V741-Q893 HydrophobicContact CG2-CB 4.18Å; V741-V905 WeakPolarHBondContact O-CA 3.38Å; V741-G906 PolarHBondContact N-O 3.42Å; V741-G906 PolarHBondContact O-N 2.93Å; V741-S975 WeakPolarHBondContact CA-OG 3.43Å; V741-S975 PolarHBondContact N-OG 2.76Å
742	T	98.3	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	118.7	171.1	-61.2	0	0	0	0	108.2	L723 A724 K904 S975 C978 A979	L723-T742 WeakPolarHBondContact CA-O 3.26Å; L723-T742 WeakPolarHBondContact CB-O 3.33Å; L723-T742 HydrophobicContact CD1-CG2 4.35Å; L723-T742 PolarHBondContact N-O 2.92Å; A724-T742 PolarHBondContact N-O 3.21Å; A724-T742 PolarHBondContact O-N 3.23Å; T742-K904 CarbonylContact C-O 3.54Å; T742-K904 WeakPolarHBondContact CA-O 3.2Å; T742-S975 PolarHBondContact N-OG 2.89Å; T742-S975 PolarHBondContact OG1-O 2.97Å; T742-S975 PolarHBondContact OG1-OG 3.11Å; T742-S975 VanDerWaalsContact OG1-OG 3.04Å; T742-C978 HydrophobicContact CG2-CB 4.35Å; T742-A979 HydrophobicContact CG2-CB 4.37Å
743	N	96.7	Very high	95.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	170.9	-176.4	69.1	33.5	0	0	0	111.8	L721 V741 Q893 G897 K904	L721-N743 CarbonylContact O-C 3.56Å; L721-N743 VanDerWaalsContact O-CA 3.23Å; L721-N743 WeakPolarHBondContact O-CA 3.48Å; L721-N743 VanDerWaalsContact O-CB 3.25Å; L721-N743 WeakPolarHBondContact O-CB 3.19Å; V741-N743 HydrophobicContact CG1-CB 4.39Å; N743-Q893 PolarHBondContact ND2-O 3.39Å; N743-G897 WeakPolarHBondContact ND2-CA 3.5Å; N743-G897 PolarHBondContact ND2-N 3.48Å; N743-G897 WeakPolarHBondContact OD1-CA 3.32Å; N743-K904 PolarHBondContact N-O 3.39Å; N743-K904 PolarHBondContact O-N 2.98Å; N743-K904 WeakPolarHBondContact OD1-CE 3.27Å; N743-K904 WeakPolarHBondContact OD1-CG 3.36Å; N743-K904 PolarHBondContact OD1-NZ 3.02Å
744	V	96.7	Very high	95.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.4	-175.8	63.9	0	0	0	0	111.3	R720 L721 L723 V746 G902 V903 L1071	R720-V744 WeakPolarHBondContact CA-O 3.22Å; L721-V744 HydrophobicContact CB-CG1 3.86Å; L721-V744 PolarHBondContact N-O 2.94Å; L721-V744 PolarHBondContact O-N 3.45Å; L723-V744 HydrophobicContact CD1-CB 4.32Å; L723-V744 HydrophobicContact CD1-CG1 4.29Å; L723-V744 HydrophobicContact CD2-CG1 3.97Å; L723-V744 HydrophobicContact CG-CG1 4.14Å; V744-V746 HydrophobicContact CG1-CG1 4.14Å; V744-V746 HydrophobicContact CG2-CG1 4.37Å; V744-G902 WeakPolarHBondContact CA-O 3.34Å; V744-V903 HydrophobicContact CB-CG2 4.48Å; V744-V903 HydrophobicContact CG2-CG2 3.92Å; V744-L1071 HydrophobicContact CG2-CD2 3.33Å
745	S	96.6	Very high	95.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.2	177.6	-50.6	0	0	0	0	109.5	A719 G897 V900 G902 K904 D1072	A719-S745 WeakPolarHBondContact O-CA 3.36Å; S745-G897 PolarHBondContact OG-O 3.4Å; S745-V900 PolarHBondContact OG-O 3.35Å; S745-G902 PolarHBondContact N-O 3.5Å; S745-K904 PolarHBondContact OG-NZ 2.63Å; S745-D1072 WeakPolarHBondContact CB-O 3.46Å; S745-D1072 PolarHBondContact O-N 3.5Å
746	V	96.4	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.4	-173	-58.9	0	0	0	0	113.2	P718 A719 L721 V744 L935 V1069 E1070 L1071	P718-V746 VanDerWaalsContact CB-O 3.3Å; P718-V746 WeakPolarHBondContact CB-O 3.36Å; A719-V746 HydrophobicContact CB-CG2 4.1Å; A719-V746 PolarHBondContact N-O 2.82Å; A719-V746 PolarHBondContact O-N 2.67Å; L721-V746 HydrophobicContact CD1-CG1 3.94Å; L721-V746 HydrophobicContact CD1-CG2 4.13Å; L721-V746 HydrophobicContact CG-CG1 4.26Å; L721-V746 HydrophobicContact CG-CG2 3.93Å; V744-V746 HydrophobicContact CG1-CG1 4.14Å; V744-V746 HydrophobicContact CG2-CG1 4.37Å; V746-L935 HydrophobicContact CG1-CD2 4.5Å; V746-V1069 HydrophobicContact CB-CG1 3.57Å; V746-V1069 HydrophobicContact CG1-CG1 3.52Å; V746-V1069 HydrophobicContact CG2-CG1 4.12Å; V746-E1070 CarbonylContact C-O 3.44Å; V746-E1070 VanDerWaalsContact CA-O 3.24Å; V746-E1070 WeakPolarHBondContact CA-O 3.41Å; V746-L1071 HydrophobicContact CG1-CD2 4.37Å
747	K	96.3	Very high	95.6	Very high	58 Å²	58	21 Å²	21	25%	0.252	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	142.4	162.1	-59.6	176.4	-172	169.2	0	108.6	K751 R752 E1070 D1072	K747-K751 VanDerWaalsContact CA-O 3.23Å; K747-K751 WeakPolarHBondContact CA-O 3.43Å; K747-K751 WeakPolarHBondContact CB-O 3.49Å; K747-R752 HydrophobicContact CG-CG 4.43Å; K747-E1070 HydrophobicContact CB-CB 4.25Å; K747-E1070 PolarHBondContact N-O 3.44Å; K747-E1070 PolarHBondContact O-N 3.19Å; K747-D1072 WeakPolarHBondContact CE-OD2 3.18Å; K747-D1072 HydrophobicContact CG-CB 4.23Å
748	V	94.8	Very high	95.7	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.3	176	-176.1	0	0	0	0	106.9	A719 G750 K751 P753 L842 L937 H1067	A719-V748 HydrophobicContact CB-CG2 4.07Å; V748-G750 PolarHBondContact O-N 3.41Å; V748-K751 PolarHBondContact N-O 3.45Å; V748-K751 PolarHBondContact O-N 2.88Å; V748-P753 HydrophobicContact CG2-CG 4.39Å; V748-L842 HydrophobicContact CG2-CD2 4.35Å; V748-L937 HydrophobicContact CG1-CD1 4.41Å; V748-L937 HydrophobicContact CG2-CD1 3.9Å; V748-H1067 HydrophobicContact CG1-CB 4.07Å
749	D	94.1	Very high	95.7	Very high	76 Å²	76	21.6 Å²	21.6	41%	0.406	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	42.4	-175.8	-54.5	-41.1	0	0	0	112.8	K751 H1067 S1068	D749-K751 VanDerWaalsContact C-N 3.27Å; D749-K751 PolarHBondContact O-N 3.4Å; D749-H1067 WeakPolarHBondContact OD1-CA 3.47Å; D749-H1067 WeakPolarHBondContact OD1-CB 3.19Å; D749-H1067 IonicContact OD1-ND1 3.76Å; D749-H1067 IonicContact OD2-CE1 3.74Å; D749-H1067 IonicContact OD2-CG 3.69Å; D749-H1067 IonicContact OD2-ND1 2.76Å; D749-H1067 PolarHBondContact OD2-ND1 2.91Å; D749-S1068 PolarHBondContact N-O 3.19Å; D749-S1068 VanDerWaalsContact N-O 3.09Å; D749-S1068 PolarHBondContact OD1-N 3.42Å
750	G	92.8	Very high	95.7	Very high	36 Å²	36	23.4 Å²	23.4	37%	0.371	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	2.4	178.4	0	0	0	0	0	115.7	V748 E1070	V748-G750 PolarHBondContact O-N 3.41Å; G750-E1070 WeakPolarHBondContact CA-OE1 3.22Å
751	K	92.4	Very high	95.6	Very high	108 Å²	108	24.3 Å²	24.3	47%	0.47	12%	0.116	S	C	.	.	B	Isolated β-bridge	trans	-114.7	152.5	-175.4	-62.3	178.5	-176.3	177.7	0	113.3	K747 V748 D749 P753 E841	K747-K751 VanDerWaalsContact CA-O 3.23Å; K747-K751 WeakPolarHBondContact CA-O 3.43Å; K747-K751 WeakPolarHBondContact CB-O 3.49Å; V748-K751 PolarHBondContact N-O 3.45Å; V748-K751 PolarHBondContact O-N 2.88Å; D749-K751 VanDerWaalsContact C-N 3.27Å; D749-K751 PolarHBondContact O-N 3.4Å; K751-P753 VanDerWaalsContact O-CD 3.29Å; K751-P753 WeakPolarHBondContact O-CD 3.27Å; K751-E841 WeakPolarHBondContact CD-OE2 3.36Å; K751-E841 IonicContact NZ-OE1 3.84Å; K751-E841 IonicContact NZ-OE2 3.34Å; K751-E841 PolarHBondContact NZ-OE2 3.33Å
752	R	94.6	Very high	95.4	Very high	40 Å²	40	29.6 Å²	29.6	15%	0.151	15%	0.148	C	C	.	.			trans	-83.3	103.1	160.7	-73.2	-175.3	179.8	148.4	2	108.1	E716 C717 K747 I754 D1072 E1074	E716-R752 HydrophobicContact CB-CB 4.05Å; C717-R752 WeakPolarHBondContact O-CB 3.48Å; K747-R752 HydrophobicContact CG-CG 4.43Å; R752-I754 VanDerWaalsContact C-N 3.28Å; R752-I754 PolarHBondContact O-N 3.32Å; R752-D1072 IonicContact CZ-OD1 2.78Å; R752-D1072 IonicContact CZ-OD2 3.2Å; R752-D1072 IonicContact NE-OD1 3.2Å; R752-D1072 IonicContact NE-OD2 3.81Å; R752-D1072 PolarHBondContact NE-OD2 3.37Å; R752-D1072 IonicContact NH2-OD1 3.39Å; R752-D1072 PolarHBondContact NH2-OD1 3.01Å; R752-D1072 VanDerWaalsContact NH2-OD1 3.13Å; R752-D1072 IonicContact NH2-OD2 2.83Å; R752-D1072 PolarHBondContact NH2-OD2 3.21Å; R752-E1074 IonicContact CZ-OE2 2.84Å; R752-E1074 IonicContact NH1-OE2 3.87Å; R752-E1074 PolarHBondContact NH1-OE2 2.89Å; R752-E1074 VanDerWaalsContact NH1-OE2 3.12Å; R752-E1074 IonicContact NH2-OE2 3.38Å; R752-E1074 PolarHBondContact NH2-OE2 2.97Å
753	P	92.8	Very high	95.2	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.013	18%	0.178	C	C	.	.			trans	-84.7	-2.1	-163.4	34.2	-34.5	0	0	0	113.2	A719 V748 K751 S840 E841 L842	A719-P753 HydrophobicContact CB-CG 4.16Å; V748-P753 HydrophobicContact CG2-CG 4.39Å; K751-P753 VanDerWaalsContact O-CD 3.29Å; K751-P753 WeakPolarHBondContact O-CD 3.27Å; P753-S840 CarbonylContact O-C 3.6Å; P753-S840 VanDerWaalsContact O-CA 3.29Å; P753-S840 WeakPolarHBondContact O-CA 3.12Å; P753-E841 HydrophobicContact CB-CB 3.95Å; P753-E841 PolarHBondContact O-N 3.48Å; P753-L842 HydrophobicContact CB-CD1 4.37Å; P753-L842 HydrophobicContact CB-CD2 4.3Å; P753-L842 HydrophobicContact CB-CG 3.9Å; P753-L842 HydrophobicContact CG-CD1 3.79Å; P753-L842 HydrophobicContact CG-CD2 4.29Å; P753-L842 HydrophobicContact CG-CG 3.86Å
754	I	94.7	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.1	-175.4	-58.2	161.8	0	0	0	108	E716 C717 R752 L842 T850 I853 L854	E716-I754 WeakPolarHBondContact CA-O 3.41Å; C717-I754 HydrophobicContact CB-CB 4.44Å; C717-I754 PolarHBondContact N-O 3.48Å; C717-I754 PolarHBondContact O-N 2.89Å; R752-I754 VanDerWaalsContact C-N 3.28Å; R752-I754 PolarHBondContact O-N 3.32Å; I754-L842 HydrophobicContact CD1-CD1 4.34Å; I754-L842 HydrophobicContact CG1-CD1 4.49Å; I754-T850 HydrophobicContact CD1-CG2 4.3Å; I754-T850 HydrophobicContact CG1-CG2 4.23Å; I754-I853 HydrophobicContact CB-CG2 4.31Å; I754-I853 HydrophobicContact CD1-CB 3.96Å; I754-I853 HydrophobicContact CD1-CD1 3.97Å; I754-I853 HydrophobicContact CD1-CG2 3.8Å; I754-I853 HydrophobicContact CG2-CG2 4.04Å; I754-L854 HydrophobicContact CG2-CB 3.86Å; I754-L854 HydrophobicContact CG2-CD1 3.91Å; I754-L854 HydrophobicContact CG2-CG 4.49Å
755	G	94.4	Very high	95	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	165.8	177.3	0	0	0	0	0	114.4	V715 W839 L854	V715-G755 CarbonylContact O-C 3.57Å; V715-G755 WeakPolarHBondContact O-CA 2.9Å; G755-W839 VanDerWaalsContact CA-CE2 3.48Å; G755-W839 PolarHBondContact N-O 3.22Å; G755-W839 VanDerWaalsContact N-O 3.13Å; G755-W839 PolarHBondContact O-N 2.92Å; G755-L854 VanDerWaalsContact O-CD1 3.3Å; G755-L854 WeakPolarHBondContact O-CD1 3.41Å
756	A	96.1	Very high	95	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	154.3	178.6	0	0	0	0	0	110.6	V715 H837 W839 A857 L858 A861	V715-A756 PolarHBondContact N-O 3.48Å; V715-A756 PolarHBondContact O-N 3.31Å; A756-H837 CarbonylContact C-O 3.49Å; A756-H837 VanDerWaalsContact CA-O 3.23Å; A756-H837 WeakPolarHBondContact CA-O 3.38Å; A756-W839 VanDerWaalsContact C-CH2 3.44Å; A756-W839 VanDerWaalsContact CA-CZ3 3.42Å; A756-A857 HydrophobicContact CB-CB 3.89Å; A756-L858 HydrophobicContact CB-CB 4.43Å; A756-L858 HydrophobicContact CB-CD2 3.57Å; A756-L858 HydrophobicContact CB-CG 3.85Å; A756-A861 HydrophobicContact CB-CB 4.43Å
757	R	96.1	Very high	95	Very high	52 Å²	52	41.7 Å²	41.7	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147	169	64.8	177.6	-178.4	179.5	-4	111	W712 Q713 E714 H837 W839	W712-R757 HydrophobicContact CD2-CG 4.25Å; W712-R757 HydrophobicContact CE3-CB 3.78Å; W712-R757 HydrophobicContact CE3-CG 3.5Å; W712-R757 HydrophobicContact CH2-CG 4.25Å; W712-R757 HydrophobicContact CZ3-CB 4.17Å; W712-R757 HydrophobicContact CZ3-CG 3.52Å; Q713-R757 CarbonylContact O-C 3.58Å; Q713-R757 WeakPolarHBondContact O-CA 3.12Å; E714-R757 HydrophobicContact CB-CB 4.14Å; E714-R757 HydrophobicContact CG-CB 4.3Å; R757-H837 HydrophobicContact CG-CB 3.7Å; R757-H837 PolarHBondContact N-O 3.33Å; R757-H837 PolarHBondContact NE-ND1 2.97Å; R757-H837 VanDerWaalsContact NE-ND1 3.13Å; R757-H837 PolarHBondContact NH2-CE1 3.22Å; R757-H837 PolarHBondContact NH2-ND1 3.09Å; R757-H837 PolarHBondContact O-N 3.37Å; R757-W839 HydrophobicContact CB-CH2 4.33Å; R757-W839 HydrophobicContact CB-CZ3 4.21Å; R757-W839 HydrophobicContact CG-CH2 4.46Å; R757-W839 HydrophobicContact CG-CZ3 3.95Å
758	A	96.8	Very high	95	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.8	177.4	0	0	0	0	0	111.1	Q713 E835 L836 A861 V862 C865	Q713-A758 PolarHBondContact N-O 3.21Å; Q713-A758 PolarHBondContact O-N 2.86Å; A758-E835 CarbonylContact C-O 3.52Å; A758-E835 VanDerWaalsContact CA-O 3.23Å; A758-E835 WeakPolarHBondContact CA-O 3.44Å; A758-L836 HydrophobicContact CB-CD1 3.72Å; A758-A861 HydrophobicContact CB-CB 3.82Å; A758-V862 HydrophobicContact CB-CG2 4.41Å; A758-C865 HydrophobicContact CB-CB 4.1Å
759	R	96.1	Very high	95	Very high	67 Å²	67	38.7 Å²	38.7	25%	0.253	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.2	170.3	65.3	175.3	176.6	-173.4	-2.5	111.2	G710 E711 W712 I761 V834 E835	G710-R759 VanDerWaalsContact O-CD 3.28Å; G710-R759 WeakPolarHBondContact O-CD 3.04Å; E711-R759 WeakPolarHBondContact O-CB 3.25Å; W712-R759 HydrophobicContact CD2-CB 4.14Å; W712-R759 HydrophobicContact CD2-CG 4.03Å; W712-R759 HydrophobicContact CE3-CB 3.87Å; W712-R759 HydrophobicContact CE3-CG 3.83Å; W712-R759 HydrophobicContact CH2-CG 3.93Å; W712-R759 HydrophobicContact CZ2-CG 4.11Å; W712-R759 VanDerWaalsContact CZ2-CZ 3.48Å; W712-R759 VanDerWaalsContact CZ2-NE 3.3Å; W712-R759 HydrophobicContact CZ3-CB 4.24Å; W712-R759 HydrophobicContact CZ3-CG 3.77Å; R759-I761 HydrophobicContact CG-CG2 4.12Å; R759-V834 WeakPolarHBondContact O-CA 3.31Å; R759-E835 HydrophobicContact CG-CB 4Å; R759-E835 IonicContact CZ-OE2 3.79Å; R759-E835 PolarHBondContact N-O 3.44Å; R759-E835 IonicContact NE-OE2 3.82Å; R759-E835 PolarHBondContact NE-OE2 3.14Å; R759-E835 IonicContact NH2-OE1 3.31Å; R759-E835 IonicContact NH2-OE2 3.64Å; R759-E835 PolarHBondContact NH2-OE2 3.4Å; R759-E835 PolarHBondContact O-N 3.22Å
760	R	96.1	Very high	94.7	Very high	41 Å²	41	37 Å²	37	16%	0.155	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	141.3	167	-62.4	-170.8	-67.2	163.2	-6.2	109.6	A706 P707 I709 G710 W830 G833 C865	A706-R760 PolarHBondContact O-NH2 3.02Å; P707-R760 PolarHBondContact O-NE 3.01Å; P707-R760 PolarHBondContact O-NH2 3.06Å; I709-R760 HydrophobicContact CG1-CB 4.26Å; I709-R760 WeakPolarHBondContact CG2-O 3.49Å; G710-R760 PolarHBondContact N-O 3.17Å; R760-W830 PolarHBondContact NH1-O 3.36Å; R760-W830 VanDerWaalsContact NH1-O 3.13Å; R760-G833 WeakPolarHBondContact CA-O 3.43Å; R760-C865 VanDerWaalsContact CD-O 3.27Å; R760-C865 WeakPolarHBondContact CD-O 3.21Å; R760-C865 VanDerWaalsContact CG-O 3.28Å; R760-C865 WeakPolarHBondContact CG-O 3.43Å; R760-C865 PolarHBondContact NE-O 3.48Å
761	I	96.5	Very high	94.4	Very high	22 Å²	22	36.2 Å²	36.2	11%	0.113	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.7	178.3	57.4	167.2	0	0	0	110.2	R759 G832 G833 E835	R759-I761 HydrophobicContact CG-CG2 4.12Å; I761-G832 CarbonylContact O-C 3.55Å; I761-G832 VanDerWaalsContact O-CA 3.25Å; I761-G832 WeakPolarHBondContact O-CA 3.42Å; I761-G833 WeakPolarHBondContact CG1-O 3.38Å; I761-G833 PolarHBondContact N-O 3.19Å; I761-G833 PolarHBondContact O-N 2.71Å; I761-E835 HydrophobicContact CG2-CB 3.89Å
762	V	94.5	Very high	93.3	Very high	111 Å²	111	34.7 Å²	34.7	67%	0.673	18%	0.18	S	C	*	.	S	Bend	trans	-67.8	-38.4	-176.9	-179.4	0	0	0	0	112.1	I709	I709-V762 HydrophobicContact CG2-CG2 3.86Å
763	K	94.6	Very high	91.9	Very high	143 Å²	143	35.7 Å²	35.7	62%	0.622	20%	0.202	S	C	*	.	S	Bend	trans	-69.8	129.3	179.7	-69.3	-175.8	178.6	-179.4	0	109.9	H765 G833	K763-H765 PolarHBondContact O-N 3.15Å; K763-G833 WeakPolarHBondContact O-CA 3.3Å; K763-G833 PolarHBondContact O-N 3.2Å
764	P	93.9	Very high	90.6	Very high	54 Å²	54	35.7 Å²	35.7	35%	0.351	20%	0.203	S	C	.	.	S	Bend	trans	-80.9	58.7	-175.6	34.2	-36.5	0	0	0	112.8	G823 M827	P764-G823 VanDerWaalsContact O-CA 3.3Å; P764-G823 WeakPolarHBondContact O-CA 3.17Å; P764-M827 HydrophobicContact CB-CE 4.04Å; P764-M827 HydrophobicContact CG-CE 4.18Å
765	H	95.3	Very high	88.9	Confident	28 Å²	28	41.4 Å²	41.4	13%	0.13	22%	0.224	C	C	.	.	S	Bend	trans	-131.5	170.9	172.4	60.6	-125.4	0	0	0	110.8	K763 V784 C785 E786 G833 V834	K763-H765 PolarHBondContact O-N 3.15Å; H765-V784 HydrophobicContact CB-CG1 4.26Å; H765-C785 WeakPolarHBondContact CB-O 3.43Å; H765-E786 HydrophobicContact CB-CG 4.24Å; H765-G833 WeakPolarHBondContact O-CA 3.22Å; H765-V834 PolarHBondContact O-N 2.82Å; H765-V834 VanDerWaalsContact O-N 3.16Å
766	L	96.5	Very high	87.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.2	169.1	-58.9	173.3	0	0	0	109.7	L768 V784 C785 L791 C808 L813 V814 L822 L826 V834	L766-L768 HydrophobicContact CB-CD2 4.23Å; L766-L768 HydrophobicContact CB-CG 4.48Å; L766-V784 CarbonylContact O-C 3.56Å; L766-V784 WeakPolarHBondContact O-CA 3.4Å; L766-C785 HydrophobicContact CB-CB 4.16Å; L766-C785 PolarHBondContact N-O 2.91Å; L766-C785 PolarHBondContact O-N 2.82Å; L766-L791 HydrophobicContact CD1-CD1 4.08Å; L766-L791 HydrophobicContact CD1-CD2 4.13Å; L766-C808 HydrophobicContact CD1-CB 4.04Å; L766-L813 HydrophobicContact CD2-CD2 3.57Å; L766-L813 HydrophobicContact CD2-CG 4.45Å; L766-V814 HydrophobicContact CD1-CG2 3.97Å; L766-L822 HydrophobicContact CD1-CD1 4.37Å; L766-L826 HydrophobicContact CD2-CD1 4.08Å; L766-L826 HydrophobicContact CD2-CD2 3.92Å; L766-L826 HydrophobicContact CG-CD1 4.09Å; L766-V834 WeakPolarHBondContact CA-O 3.48Å; L766-V834 HydrophobicContact CD2-CB 3.98Å
767	L	96.3	Very high	85.3	Confident	29 Å²	29	47.4 Å²	47.4	15%	0.152	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	108	172	174.3	59.6	0	0	0	108.7	V769 V784 V834 E835 L836	L767-V769 HydrophobicContact CD1-CG2 4.28Å; L767-V769 HydrophobicContact CG-CG2 4.18Å; L767-V784 HydrophobicContact CD1-CG2 3.95Å; L767-V834 PolarHBondContact N-O 2.95Å; L767-E835 HydrophobicContact CB-CB 4.23Å; L767-E835 HydrophobicContact CB-CG 4.01Å; L767-E835 HydrophobicContact CD2-CG 3.72Å; L767-E835 HydrophobicContact CG-CG 3.89Å; L767-E835 CarbonylContact O-C 3.53Å; L767-E835 WeakPolarHBondContact O-CA 3.17Å; L767-L836 PolarHBondContact O-N 2.91Å
768	L	95.9	Very high	83.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.7	-175	-51.9	-176.7	0	0	0	109.5	L766 M783 L804 K805 L836	L766-L768 HydrophobicContact CB-CD2 4.23Å; L766-L768 HydrophobicContact CB-CG 4.48Å; L768-M783 HydrophobicContact CB-CB 4.3Å; L768-M783 HydrophobicContact CB-CE 4.37Å; L768-M783 PolarHBondContact N-O 3.27Å; L768-M783 PolarHBondContact O-N 2.95Å; L768-L804 HydrophobicContact CB-CB 4.21Å; L768-L804 HydrophobicContact CB-CD2 3.93Å; L768-L804 HydrophobicContact CD1-CB 3.98Å; L768-L804 HydrophobicContact CD2-CB 4.2Å; L768-L804 HydrophobicContact CD2-CD2 4.47Å; L768-L804 HydrophobicContact CG-CB 4.36Å; L768-K805 HydrophobicContact CD1-CG 3.78Å; L768-L836 HydrophobicContact CD2-CB 4Å; L768-L836 HydrophobicContact CD2-CD2 4.33Å
769	V	93.6	Very high	81.7	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.6	-176.9	-173.2	0	0	0	0	110.3	L767 T781 E782 L836 H837 S838	L767-V769 HydrophobicContact CD1-CG2 4.28Å; L767-V769 HydrophobicContact CG-CG2 4.18Å; V769-T781 WeakPolarHBondContact CA-O 3.42Å; V769-E782 HydrophobicContact CG1-CG 4.21Å; V769-E782 HydrophobicContact CG2-CG 4.08Å; V769-L836 PolarHBondContact N-O 3.47Å; V769-H837 HydrophobicContact CB-CB 4.39Å; V769-H837 WeakPolarHBondContact CG2-NE2 3.38Å; V769-H837 CarbonylContact O-C 3.55Å; V769-H837 WeakPolarHBondContact O-CA 3.38Å; V769-S838 PolarHBondContact O-N 2.85Å; V769-S838 PolarHBondContact O-OG 2.78Å
770	S	89.6	Confident	80.9	Confident	39 Å²	39	51.4 Å²	51.4	27%	0.273	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.1	174.8	-165.5	0	0	0	0	110.4	S780 T781 S838	S770-S780 WeakPolarHBondContact O-CA 3.49Å; S770-T781 PolarHBondContact N-O 2.85Å; S770-T781 PolarHBondContact O-N 2.98Å; S770-S838 PolarHBondContact OG-OG 3.13Å
771	C	85.3	Confident	80.4	Confident	21 Å²	21	53.1 Å²	53.1	14%	0.142	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.4	180	-58.2	0	0	0	0	110.1	S838 W839	C771-S838 PolarHBondContact N-O 3.36Å; C771-W839 HydrophobicContact CB-CB 4.07Å
772	S	70.2	Confident	80.1	Confident	76 Å²	76	58.5 Å²	58.5	53%	0.531	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120	176	-64.7	0	0	0	0	110.1	S777 A779	S772-S777 WeakPolarHBondContact O-CB 3.42Å; S772-S777 PolarHBondContact O-OG 3.22Å; S772-A779 PolarHBondContact N-O 2.87Å; S772-A779 VanDerWaalsContact N-O 3.08Å
773	G	64.9	Low	80	Confident	60 Å²	60	54.5 Å²	54.5	62%	0.619	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	31	177.3	0	0	0	0	0	115.2
774	G	65	Low	80	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	35%	0.349	C	S	.	.	S	Bend	trans	88.7	174.6	176.4	0	0	0	0	0	115	G776 S777 S840	G774-G776 VanDerWaalsContact C-N 3.29Å; G774-G776 PolarHBondContact O-N 3.25Å; G774-S777 PolarHBondContact O-N 3.44Å; G774-S840 PolarHBondContact N-O 2.9Å
775	R	60.2	Low	80	Confident	119 Å²	119	48.9 Å²	48.9	45%	0.449	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.3	-168.4	-168	-179.4	-178.4	166.2	12	115	E714	E714-R775 IonicContact OE1-CZ 3.4Å; E714-R775 IonicContact OE1-NH1 2.69Å; E714-R775 PolarHBondContact OE1-NH1 3.22Å; E714-R775 IonicContact OE1-NH2 2.69Å; E714-R775 IonicContact OE2-CZ 3.38Å; E714-R775 IonicContact OE2-NH1 3.42Å; E714-R775 PolarHBondContact OE2-NH1 2.92Å; E714-R775 IonicContact OE2-NH2 3.16Å; E714-R775 PolarHBondContact OE2-NH2 2.84Å
776	G	56.2	Low	79.9	Confident	83 Å²	83	53.3 Å²	53.3	86%	0.856	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	5.2	-177.6	0	0	0	0	0	114.9	G774	G774-G776 VanDerWaalsContact C-N 3.29Å; G774-G776 PolarHBondContact O-N 3.25Å
777	S	57	Low	79.8	Confident	44 Å²	44	58 Å²	58	31%	0.308	38%	0.379	S	S	.	.			trans	-73	130.8	175.9	171.9	0	0	0	0	110.1	S772 G774 A779	S772-S777 WeakPolarHBondContact O-CB 3.42Å; S772-S777 PolarHBondContact O-OG 3.22Å; G774-S777 PolarHBondContact O-N 3.44Å; S777-A779 PolarHBondContact O-N 2.88Å; S777-A779 VanDerWaalsContact O-N 3.1Å; S777-A779 PolarHBondContact OG-N 3.17Å
778	G	54.3	Low	79.6	Confident	88 Å²	88	58 Å²	58	91%	0.907	38%	0.38	S	S	*	.	S	Bend	trans	-69.8	2.5	177.2	0	0	0	0	0	114.9
779	A	63.4	Low	79.3	Confident	57 Å²	57	62.7 Å²	62.7	47%	0.471	41%	0.405	S	S	.	.			trans	-104.2	83.1	178.8	0	0	0	0	0	111	S772 S777	S772-A779 PolarHBondContact N-O 2.87Å; S772-A779 VanDerWaalsContact N-O 3.08Å; S777-A779 PolarHBondContact O-N 2.88Å; S777-A779 VanDerWaalsContact O-N 3.1Å; S777-A779 PolarHBondContact OG-N 3.17Å
780	S	79.9	Confident	79.3	Confident	58 Å²	58	65.3 Å²	65.3	41%	0.406	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.9	172.5	56.1	0	0	0	0	111.3	S770	S770-S780 WeakPolarHBondContact O-CA 3.49Å
781	T	84.6	Confident	79.4	Confident	76 Å²	76	63.4 Å²	63.4	47%	0.466	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.8	170.8	-54.7	0	0	0	0	108.8	V769 S770 M783	V769-T781 WeakPolarHBondContact CA-O 3.42Å; S770-T781 PolarHBondContact N-O 2.85Å; S770-T781 PolarHBondContact O-N 2.98Å; T781-M783 HydrophobicContact CG2-CE 4.32Å; T781-M783 HydrophobicContact CG2-CG 4.39Å
782	E	90.9	Very high	79.6	Confident	135 Å²	135	70.5 Å²	70.5	63%	0.631	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.4	175.9	-60.4	-173.3	174.9	0	0	110.5	V769	V769-E782 HydrophobicContact CG1-CG 4.21Å; V769-E782 HydrophobicContact CG2-CG 4.08Å
783	M	92.6	Very high	80.6	Confident	27 Å²	27	68.9 Å²	68.9	13%	0.133	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	126	179.1	-66.9	161.1	-74.2	0	0	108.9	L768 T781 P800 G801	L768-M783 HydrophobicContact CB-CB 4.3Å; L768-M783 HydrophobicContact CB-CE 4.37Å; L768-M783 PolarHBondContact N-O 3.27Å; L768-M783 PolarHBondContact O-N 2.95Å; T781-M783 HydrophobicContact CG2-CE 4.32Å; T781-M783 HydrophobicContact CG2-CG 4.39Å; M783-P800 HydrophobicContact SD-CB 3.64Å; M783-G801 PolarHBondContact SD-N 3.47Å
784	V	94.6	Very high	81.7	Confident	76 Å²	76	68.9 Å²	68.9	46%	0.461	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.4	174	-173.6	0	0	0	0	107.9	H765 L766 L767 E786	H765-V784 HydrophobicContact CB-CG1 4.26Å; L766-V784 CarbonylContact O-C 3.56Å; L766-V784 WeakPolarHBondContact O-CA 3.4Å; L767-V784 HydrophobicContact CD1-CG2 3.95Å; V784-E786 HydrophobicContact CG1-CG 3.84Å
785	C	94.4	Very high	82.7	Confident	3 Å²	3	70.7 Å²	70.7	2%	0.02	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.4	171.4	-54.8	0	0	0	0	108.9	H765 L766 D790 L791 L822	H765-C785 WeakPolarHBondContact CB-O 3.43Å; L766-C785 HydrophobicContact CB-CB 4.16Å; L766-C785 PolarHBondContact N-O 2.91Å; L766-C785 PolarHBondContact O-N 2.82Å; C785-D790 WeakPolarHBondContact CA-OD2 3.49Å; C785-D790 HydrophobicContact CB-CB 3.76Å; C785-L791 HydrophobicContact CB-CD2 4.44Å; C785-L791 HydrophobicContact CB-CG 4.48Å; C785-L822 HydrophobicContact CB-CD2 4.24Å; C785-L822 WeakPolarHBondContact O-CD2 3.4Å
786	E	93.1	Very high	84	Confident	121 Å²	121	70.4 Å²	70.4	57%	0.565	41%	0.412	S	S	*	.			trans	-110.2	-22	-179.8	-59.3	-168.5	134	0	0	111.7	H765 V784 D790	H765-E786 HydrophobicContact CB-CG 4.24Å; V784-E786 HydrophobicContact CG1-CG 3.84Å; E786-D790 PolarHBondContact N-OD2 3.31Å
787	N	93.3	Very high	85.2	Confident	98 Å²	98	68.8 Å²	68.8	52%	0.524	39%	0.387	S	S	.	.	S	Bend	trans	-122.9	158.2	-179.8	-58.2	-48.7	0	0	0	111.8	D789 D790	N787-D789 PolarHBondContact O-N 2.9Å; N787-D790 PolarHBondContact N-OD2 3.19Å; N787-D790 WeakPolarHBondContact O-CB 3.47Å; N787-D790 PolarHBondContact O-N 2.91Å
788	L	92.1	Very high	86.4	Confident	30 Å²	30	73.9 Å²	73.9	16%	0.157	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-63.1	-29	176.4	-67	173.8	0	0	0	112.6	D790 L791 V814 L816 L822	L788-D790 VanDerWaalsContact C-N 3.27Å; L788-D790 PolarHBondContact O-N 3.36Å; L788-L791 PolarHBondContact O-N 3.36Å; L788-V814 HydrophobicContact CD2-CG1 3.5Å; L788-V814 VanDerWaalsContact CD2-CG1 3.5Å; L788-L816 HydrophobicContact CB-CD2 4.32Å; L788-L816 HydrophobicContact CD2-CD2 4.06Å; L788-L822 HydrophobicContact CD2-CB 4.14Å; L788-L822 HydrophobicContact CD2-CD1 4.23Å; L788-L822 HydrophobicContact CG-CB 4.33Å
789	D	91.1	Very high	88	Confident	100 Å²	100	70.4 Å²	70.4	54%	0.535	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-65.6	-29.2	178.5	-69.4	-31.1	0	0	0	112.8	N787 L791 R792	N787-D789 PolarHBondContact O-N 2.9Å; D789-L791 PolarHBondContact O-N 3.13Å; D789-L791 VanDerWaalsContact O-N 3.09Å; D789-R792 PolarHBondContact O-N 3.28Å; D789-R792 VanDerWaalsContact O-N 3.11Å; D789-R792 VanDerWaalsContact OD1-CD 3.3Å; D789-R792 WeakPolarHBondContact OD1-CD 3.34Å; D789-R792 IonicContact OD1-CZ 2.97Å; D789-R792 IonicContact OD1-NE 2.67Å; D789-R792 PolarHBondContact OD1-NE 3.3Å; D789-R792 IonicContact OD1-NH1 3.69Å; D789-R792 IonicContact OD1-NH2 3.56Å
790	D	92.6	Very high	89.2	Confident	57 Å²	57	71.8 Å²	71.8	31%	0.305	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-63.7	-17.9	177.4	-56.8	-31	0	0	0	112.6	C785 E786 N787 L788 K805	C785-D790 WeakPolarHBondContact CA-OD2 3.49Å; C785-D790 HydrophobicContact CB-CB 3.76Å; E786-D790 PolarHBondContact N-OD2 3.31Å; N787-D790 PolarHBondContact N-OD2 3.19Å; N787-D790 WeakPolarHBondContact O-CB 3.47Å; N787-D790 PolarHBondContact O-N 2.91Å; L788-D790 VanDerWaalsContact C-N 3.27Å; L788-D790 PolarHBondContact O-N 3.36Å; D790-K805 WeakPolarHBondContact O-CE 2.92Å; D790-K805 PolarHBondContact O-NZ 3.34Å; D790-K805 VanDerWaalsContact O-NZ 3.15Å
791	L	91.8	Very high	89.7	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-99.7	-16	179.9	-65.9	167.6	0	0	0	112.8	L766 C785 L788 D789 D793 Y794 K805 V814 L816 L822	L766-L791 HydrophobicContact CD1-CD1 4.08Å; L766-L791 HydrophobicContact CD1-CD2 4.13Å; C785-L791 HydrophobicContact CB-CD2 4.44Å; C785-L791 HydrophobicContact CB-CG 4.48Å; L788-L791 PolarHBondContact O-N 3.36Å; D789-L791 PolarHBondContact O-N 3.13Å; D789-L791 VanDerWaalsContact O-N 3.09Å; L791-D793 PolarHBondContact O-N 3.44Å; L791-Y794 VanDerWaalsContact O-CB 3.3Å; L791-Y794 WeakPolarHBondContact O-CB 3.4Å; L791-Y794 WeakPolarHBondContact O-CD1 3.48Å; L791-Y794 PolarHBondContact O-N 3.15Å; L791-K805 HydrophobicContact CD2-CB 3.88Å; L791-K805 HydrophobicContact CD2-CG 3.88Å; L791-V814 HydrophobicContact CD1-CB 4.32Å; L791-V814 HydrophobicContact CD1-CG1 3.94Å; L791-V814 HydrophobicContact CD1-CG2 4.35Å; L791-L816 HydrophobicContact CB-CD2 3.9Å; L791-L816 HydrophobicContact CD1-CD2 4.2Å; L791-L822 HydrophobicContact CD1-CD1 4.24Å
792	R	89.4	Confident	90	Very high	169 Å²	169	66.3 Å²	66.3	64%	0.638	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.4	-168	-80	-173	178.2	-171.8	5.7	115	D789 Y794	D789-R792 PolarHBondContact O-N 3.28Å; D789-R792 VanDerWaalsContact O-N 3.11Å; D789-R792 VanDerWaalsContact OD1-CD 3.3Å; D789-R792 WeakPolarHBondContact OD1-CD 3.34Å; D789-R792 IonicContact OD1-CZ 2.97Å; D789-R792 IonicContact OD1-NE 2.67Å; D789-R792 PolarHBondContact OD1-NE 3.3Å; D789-R792 IonicContact OD1-NH1 3.69Å; D789-R792 IonicContact OD1-NH2 3.56Å; R792-Y794 PolarHBondContact O-N 2.9Å
793	D	90.3	Very high	90.1	Very high	43 Å²	43	61.5 Å²	61.5	23%	0.23	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-81	8.7	175.4	65.8	-8.7	0	0	0	113.1	L791 S795 Q796 A799 K805	L791-D793 PolarHBondContact O-N 3.44Å; D793-S795 PolarHBondContact O-N 3.34Å; D793-Q796 WeakPolarHBondContact O-CB 2.94Å; D793-Q796 PolarHBondContact O-N 3.03Å; D793-A799 HydrophobicContact CB-CB 4.04Å; D793-A799 WeakPolarHBondContact OD2-CB 3.37Å; D793-K805 VanDerWaalsContact OD1-CD 3.24Å; D793-K805 WeakPolarHBondContact OD1-CD 3.47Å; D793-K805 IonicContact OD1-NZ 2.73Å; D793-K805 PolarHBondContact OD1-NZ 3.23Å; D793-K805 IonicContact OD2-NZ 2.77Å; D793-K805 PolarHBondContact OD2-NZ 2.92Å
794	Y	89.9	Confident	90.2	Very high	60 Å²	60	60.5 Å²	60.5	24%	0.235	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-51.5	-34.3	178.3	72	-95.9	0	0	0	112.7	L791 R792 Q796 A806 V809 L816 I885 L886	L791-Y794 VanDerWaalsContact O-CB 3.3Å; L791-Y794 WeakPolarHBondContact O-CB 3.4Å; L791-Y794 WeakPolarHBondContact O-CD1 3.48Å; L791-Y794 PolarHBondContact O-N 3.15Å; R792-Y794 PolarHBondContact O-N 2.9Å; Y794-Q796 PolarHBondContact O-N 3.42Å; Y794-A806 HydrophobicContact CD2-CB 4.45Å; Y794-V809 HydrophobicContact CD1-CG2 4.25Å; Y794-V809 HydrophobicContact CG-CG2 4.49Å; Y794-L816 HydrophobicContact CD1-CD1 3.62Å; Y794-L816 HydrophobicContact CE1-CD1 3.31Å; Y794-I885 HydrophobicContact CD2-CG2 3.44Å; Y794-I885 VanDerWaalsContact CD2-CG2 3.44Å; Y794-I885 HydrophobicContact CE2-CB 4.47Å; Y794-I885 HydrophobicContact CE2-CG2 3.19Å; Y794-L886 WeakPolarHBondContact O-CD2 3.09Å
795	S	85.6	Confident	90.2	Very high	41 Å²	41	57.6 Å²	57.6	29%	0.287	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-79.1	-1.1	-178.2	58.8	0	0	0	0	113.6	D793 P797 T887	D793-S795 PolarHBondContact O-N 3.34Å; S795-P797 WeakPolarHBondContact O-CD 3.29Å; S795-T887 PolarHBondContact O-OG1 3.11Å
796	Q	86.2	Confident	90.2	Very high	113 Å²	113	57.5 Å²	57.5	53%	0.528	29%	0.293	S	S	.	.			trans	-101.3	103.2	176.5	-57.5	-174.6	16.7	0	0	109.5	D793 Y794 H798 A799 A802	D793-Q796 WeakPolarHBondContact O-CB 2.94Å; D793-Q796 PolarHBondContact O-N 3.03Å; Y794-Q796 PolarHBondContact O-N 3.42Å; Q796-H798 PolarHBondContact O-N 3.33Å; Q796-A799 HydrophobicContact CB-CB 4.09Å; Q796-A799 VanDerWaalsContact O-CB 3.3Å; Q796-A799 WeakPolarHBondContact O-CB 3.47Å; Q796-A799 PolarHBondContact O-N 3.34Å; Q796-A802 VanDerWaalsContact O-CB 3.27Å; Q796-A802 WeakPolarHBondContact O-CB 3.31Å
797	P	82.1	Confident	90.3	Very high	49 Å²	49	51.7 Å²	51.7	32%	0.318	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.1	-173.3	-25.8	33.1	0	0	0	115.6	S795 L886 T888	S795-P797 WeakPolarHBondContact O-CD 3.29Å; P797-L886 WeakPolarHBondContact CG-O 3.44Å; P797-T888 HydrophobicContact CB-CG2 3.81Å; P797-T888 HydrophobicContact CG-CG2 3.7Å
798	H	83.2	Confident	90.4	Very high	151 Å²	151	47 Å²	47	70%	0.699	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-12.5	-177.7	-25.3	-52.9	0	0	0	112.1	Q796	Q796-H798 PolarHBondContact O-N 3.33Å
799	A	87.5	Confident	90.5	Very high	14 Å²	14	47.1 Å²	47.1	12%	0.116	24%	0.243	C	C	.	.	S	Bend	trans	-67.4	142.7	-179.4	0	0	0	0	0	110.4	D793 Q796 G801 A802	D793-A799 HydrophobicContact CB-CB 4.04Å; D793-A799 WeakPolarHBondContact OD2-CB 3.37Å; Q796-A799 HydrophobicContact CB-CB 4.09Å; Q796-A799 VanDerWaalsContact O-CB 3.3Å; Q796-A799 WeakPolarHBondContact O-CB 3.47Å; Q796-A799 PolarHBondContact O-N 3.34Å; A799-G801 PolarHBondContact O-N 2.96Å; A799-A802 HydrophobicContact CB-CB 4.29Å; A799-A802 WeakPolarHBondContact O-CB 3.33Å; A799-A802 PolarHBondContact O-N 3.38Å; A799-A802 VanDerWaalsContact O-N 3.09Å
800	P	88.4	Confident	90.6	Very high	86 Å²	86	43.3 Å²	43.3	56%	0.558	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	124.6	175.1	-26.2	35	0	0	0	111.1	M783 A802 K805	M783-P800 HydrophobicContact SD-CB 3.64Å; P800-A802 VanDerWaalsContact C-N 3.25Å; P800-A802 PolarHBondContact O-N 2.86Å; P800-K805 VanDerWaalsContact O-CE 3.25Å; P800-K805 WeakPolarHBondContact O-CE 3.41Å; P800-K805 PolarHBondContact O-NZ 3.13Å
801	G	89.5	Confident	90.6	Very high	14 Å²	14	40.9 Å²	40.9	14%	0.144	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	15.1	177.7	0	0	0	0	0	115.5	M783 A799 L803 L804 K805	M783-G801 PolarHBondContact SD-N 3.47Å; A799-G801 PolarHBondContact O-N 2.96Å; G801-L803 VanDerWaalsContact C-N 3.26Å; G801-L803 PolarHBondContact O-N 3.48Å; G801-L803 VanDerWaalsContact O-N 3.12Å; G801-L804 WeakPolarHBondContact O-CA 3.36Å; G801-L804 PolarHBondContact O-N 3.01Å; G801-K805 WeakPolarHBondContact O-CG 3.3Å; G801-K805 PolarHBondContact O-N 2.7Å
802	A	91.6	Very high	90.6	Very high	5 Å²	5	43 Å²	43	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-47.2	-45.9	-176	0	0	0	0	0	113.5	Q796 A799 P800 L804 K805 A806 L886	Q796-A802 VanDerWaalsContact O-CB 3.27Å; Q796-A802 WeakPolarHBondContact O-CB 3.31Å; A799-A802 HydrophobicContact CB-CB 4.29Å; A799-A802 WeakPolarHBondContact O-CB 3.33Å; A799-A802 PolarHBondContact O-N 3.38Å; A799-A802 VanDerWaalsContact O-N 3.09Å; P800-A802 VanDerWaalsContact C-N 3.25Å; P800-A802 PolarHBondContact O-N 2.86Å; A802-L804 PolarHBondContact O-N 2.97Å; A802-K805 PolarHBondContact O-N 3.07Å; A802-A806 WeakPolarHBondContact O-CB 3.36Å; A802-A806 PolarHBondContact O-N 2.84Å; A802-L886 HydrophobicContact CB-CD2 4.38Å
803	L	92.6	Very high	90.7	Very high	35 Å²	35	35.1 Å²	35.1	18%	0.183	20%	0.204	C	C	.	.	H	α-helix	trans	-59.2	-47	175.8	175.2	58.9	0	0	0	112.4	G801 A806 V807 L854 A855 L858 L882 L886	G801-L803 VanDerWaalsContact C-N 3.26Å; G801-L803 PolarHBondContact O-N 3.48Å; G801-L803 VanDerWaalsContact O-N 3.12Å; L803-A806 PolarHBondContact O-N 2.85Å; L803-V807 HydrophobicContact CD1-CG2 4.36Å; L803-V807 VanDerWaalsContact O-CG2 3.3Å; L803-V807 WeakPolarHBondContact O-CG2 3.25Å; L803-V807 PolarHBondContact O-N 3.31Å; L803-L854 HydrophobicContact CD2-CB 4.36Å; L803-L854 HydrophobicContact CD2-CD2 3.91Å; L803-L854 HydrophobicContact CD2-CG 4.06Å; L803-A855 HydrophobicContact CD1-CB 3.79Å; L803-L858 HydrophobicContact CD2-CD1 3.99Å; L803-L858 HydrophobicContact CG-CD1 3.93Å; L803-L882 HydrophobicContact CD1-CD2 3.78Å; L803-L886 HydrophobicContact CB-CD1 4.49Å; L803-L886 HydrophobicContact CD1-CD1 3.7Å
804	L	94.8	Very high	90.9	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-42.3	179.6	-68.8	92.2	0	0	0	111	L768 G801 A802 V807 C808 L836 L858	L768-L804 HydrophobicContact CB-CB 4.21Å; L768-L804 HydrophobicContact CB-CD2 3.93Å; L768-L804 HydrophobicContact CD1-CB 3.98Å; L768-L804 HydrophobicContact CD2-CB 4.2Å; L768-L804 HydrophobicContact CD2-CD2 4.47Å; L768-L804 HydrophobicContact CG-CB 4.36Å; G801-L804 WeakPolarHBondContact O-CA 3.36Å; G801-L804 PolarHBondContact O-N 3.01Å; A802-L804 PolarHBondContact O-N 2.97Å; L804-V807 WeakPolarHBondContact O-CB 3.31Å; L804-V807 PolarHBondContact O-N 3.12Å; L804-C808 PolarHBondContact O-N 3.21Å; L804-C808 PolarHBondContact O-SG 2.95Å; L804-L836 HydrophobicContact CB-CD2 4.22Å; L804-L836 HydrophobicContact CD2-CB 4.44Å; L804-L836 HydrophobicContact CD2-CD2 4.1Å; L804-L836 HydrophobicContact CD2-CG 4.06Å; L804-L836 HydrophobicContact CG-CD2 4.3Å; L804-L858 HydrophobicContact CG-CD1 4.4Å
805	K	95.2	Very high	91	Very high	16 Å²	16	32.8 Å²	32.8	7%	0.07	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-45.3	175.6	-62.1	175.6	173.6	177.4	0	111.2	L768 D790 L791 D793 P800 G801 A802 V807 C808 V809	L768-K805 HydrophobicContact CD1-CG 3.78Å; D790-K805 WeakPolarHBondContact O-CE 2.92Å; D790-K805 PolarHBondContact O-NZ 3.34Å; D790-K805 VanDerWaalsContact O-NZ 3.15Å; L791-K805 HydrophobicContact CD2-CB 3.88Å; L791-K805 HydrophobicContact CD2-CG 3.88Å; D793-K805 VanDerWaalsContact OD1-CD 3.24Å; D793-K805 WeakPolarHBondContact OD1-CD 3.47Å; D793-K805 IonicContact OD1-NZ 2.73Å; D793-K805 PolarHBondContact OD1-NZ 3.23Å; D793-K805 IonicContact OD2-NZ 2.77Å; D793-K805 PolarHBondContact OD2-NZ 2.92Å; P800-K805 VanDerWaalsContact O-CE 3.25Å; P800-K805 WeakPolarHBondContact O-CE 3.41Å; P800-K805 PolarHBondContact O-NZ 3.13Å; G801-K805 WeakPolarHBondContact O-CG 3.3Å; G801-K805 PolarHBondContact O-N 2.7Å; A802-K805 PolarHBondContact O-N 3.07Å; K805-V807 VanDerWaalsContact C-N 3.33Å; K805-V807 PolarHBondContact O-N 3.1Å; K805-C808 WeakPolarHBondContact O-CB 3.36Å; K805-C808 PolarHBondContact O-N 2.8Å; K805-C808 VanDerWaalsContact O-N 3.14Å; K805-V809 PolarHBondContact O-N 2.6Å; K805-V809 VanDerWaalsContact O-N 3.13Å
806	A	94.3	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-34.9	176.7	0	0	0	0	0	112.6	Y794 A802 L803 C808 V809 C810 L882 I885 L886	Y794-A806 HydrophobicContact CD2-CB 4.45Å; A802-A806 WeakPolarHBondContact O-CB 3.36Å; A802-A806 PolarHBondContact O-N 2.84Å; L803-A806 PolarHBondContact O-N 2.85Å; A806-C808 VanDerWaalsContact C-N 3.35Å; A806-V809 PolarHBondContact O-N 2.77Å; A806-C810 WeakPolarHBondContact O-CB 3.46Å; A806-C810 PolarHBondContact O-N 2.93Å; A806-L882 HydrophobicContact CB-CD2 4.43Å; A806-L882 HydrophobicContact CB-CG 4.47Å; A806-I885 HydrophobicContact CB-CG2 4.41Å; A806-L886 HydrophobicContact CB-CD1 4.33Å; A806-L886 HydrophobicContact CB-CD2 3.27Å; A806-L886 HydrophobicContact CB-CG 3.6Å
807	V	95.9	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-43.2	170.9	169.8	0	0	0	0	110.8	L803 L804 K805 V809 S811 L836 L858 L859 V862 L882	L803-V807 HydrophobicContact CD1-CG2 4.36Å; L803-V807 VanDerWaalsContact O-CG2 3.3Å; L803-V807 WeakPolarHBondContact O-CG2 3.25Å; L803-V807 PolarHBondContact O-N 3.31Å; L804-V807 WeakPolarHBondContact O-CB 3.31Å; L804-V807 PolarHBondContact O-N 3.12Å; K805-V807 VanDerWaalsContact C-N 3.33Å; K805-V807 PolarHBondContact O-N 3.1Å; V807-V809 VanDerWaalsContact C-N 3.3Å; V807-V809 PolarHBondContact O-N 2.97Å; V807-S811 WeakPolarHBondContact O-CB 3.48Å; V807-S811 PolarHBondContact O-N 3.07Å; V807-S811 PolarHBondContact O-OG 2.84Å; V807-L836 HydrophobicContact CG1-CD2 4.32Å; V807-L858 HydrophobicContact CB-CB 4.44Å; V807-L858 HydrophobicContact CG1-CB 4.07Å; V807-L858 HydrophobicContact CG2-CB 3.75Å; V807-L858 HydrophobicContact CG2-CD1 4.1Å; V807-L859 HydrophobicContact CG1-CD2 4.1Å; V807-L859 HydrophobicContact CG1-CG 4.4Å; V807-V862 HydrophobicContact CG1-CG2 3.99Å; V807-L882 HydrophobicContact CB-CD1 4.23Å; V807-L882 HydrophobicContact CG2-CD1 3.52Å
808	C	95.1	Very high	91.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-41.3	177.2	-63	0	0	0	0	112.1	L766 L804 K805 A806 S811 L813 V814	L766-C808 HydrophobicContact CD1-CB 4.04Å; L804-C808 PolarHBondContact O-N 3.21Å; L804-C808 PolarHBondContact O-SG 2.95Å; K805-C808 WeakPolarHBondContact O-CB 3.36Å; K805-C808 PolarHBondContact O-N 2.8Å; K805-C808 VanDerWaalsContact O-N 3.14Å; A806-C808 VanDerWaalsContact C-N 3.35Å; C808-S811 PolarHBondContact O-OG 2.87Å; C808-L813 HydrophobicContact CB-CD2 4.2Å; C808-L813 VanDerWaalsContact O-CB 3.3Å; C808-L813 WeakPolarHBondContact O-CB 3.34Å; C808-L813 PolarHBondContact O-N 3.34Å; C808-L813 VanDerWaalsContact O-N 3.07Å; C808-V814 PolarHBondContact O-N 3.31Å
809	V	93.6	Very high	91.7	Very high	31 Å²	31	34 Å²	34	19%	0.188	22%	0.215	C	C	.	.	H	α-helix	trans	-72.4	-52.6	177.4	-179.9	0	0	0	0	111.2	Y794 K805 A806 V807 S811 G812 L816	Y794-V809 HydrophobicContact CD1-CG2 4.25Å; Y794-V809 HydrophobicContact CG-CG2 4.49Å; K805-V809 PolarHBondContact O-N 2.6Å; K805-V809 VanDerWaalsContact O-N 3.13Å; A806-V809 PolarHBondContact O-N 2.77Å; V807-V809 VanDerWaalsContact C-N 3.3Å; V807-V809 PolarHBondContact O-N 2.97Å; V809-S811 PolarHBondContact O-N 2.88Å; V809-G812 PolarHBondContact O-N 2.94Å; V809-L816 HydrophobicContact CG1-CD1 4.44Å; V809-L816 HydrophobicContact CG2-CD1 3.81Å; V809-L816 HydrophobicContact CG2-CG 4.02Å
810	C	93	Very high	92	Very high	21 Å²	21	37.2 Å²	37.2	14%	0.142	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-38.1	-176.1	178.8	0	0	0	0	113	A806 G812 L882 I885	A806-C810 WeakPolarHBondContact O-CB 3.46Å; A806-C810 PolarHBondContact O-N 2.93Å; C810-G812 PolarHBondContact O-N 2.99Å; C810-L882 HydrophobicContact CB-CB 4.24Å; C810-L882 HydrophobicContact CB-CD1 3.79Å; C810-L882 HydrophobicContact CB-CG 4.04Å; C810-I885 HydrophobicContact CB-CD1 4.09Å
811	S	93.3	Very high	92.2	Very high	5 Å²	5	37 Å²	37	4%	0.035	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.4	176.7	64.4	0	0	0	0	112.6	V807 C808 V809 L813 R868	V807-S811 WeakPolarHBondContact O-CB 3.48Å; V807-S811 PolarHBondContact O-N 3.07Å; V807-S811 PolarHBondContact O-OG 2.84Å; C808-S811 PolarHBondContact O-OG 2.87Å; V809-S811 PolarHBondContact O-N 2.88Å; S811-L813 PolarHBondContact O-N 2.84Å; S811-L813 WeakPolarHBondContact OG-CB 3.24Å; S811-L813 PolarHBondContact OG-N 2.98Å; S811-R868 PolarHBondContact O-NH1 2.97Å
812	G	91.3	Very high	92.4	Very high	46 Å²	46	36.3 Å²	36.3	47%	0.474	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	19	-171.7	0	0	0	0	0	113.4	V809 C810 V814	V809-G812 PolarHBondContact O-N 2.94Å; C810-G812 PolarHBondContact O-N 2.99Å; G812-V814 PolarHBondContact O-N 2.97Å
813	L	91.8	Very high	92.5	Very high	3 Å²	3	37 Å²	37	2%	0.016	23%	0.227	C	C	.	.	S	Bend	trans	-62.5	-34.9	171.4	-173	72.8	0	0	0	110.6	L766 C808 S811 L826 W830 V834 V862 T866	L766-L813 HydrophobicContact CD2-CD2 3.57Å; L766-L813 HydrophobicContact CD2-CG 4.45Å; C808-L813 HydrophobicContact CB-CD2 4.2Å; C808-L813 VanDerWaalsContact O-CB 3.3Å; C808-L813 WeakPolarHBondContact O-CB 3.34Å; C808-L813 PolarHBondContact O-N 3.34Å; C808-L813 VanDerWaalsContact O-N 3.07Å; S811-L813 PolarHBondContact O-N 2.84Å; S811-L813 WeakPolarHBondContact OG-CB 3.24Å; S811-L813 PolarHBondContact OG-N 2.98Å; L813-L826 HydrophobicContact CG-CD2 4.33Å; L813-W830 HydrophobicContact CD1-CD2 4.36Å; L813-W830 HydrophobicContact CD1-CG 4.3Å; L813-W830 HydrophobicContact CD1-CZ2 4.5Å; L813-W830 PolarHBondContact O-NE1 3.46Å; L813-V834 HydrophobicContact CD1-CG2 3.74Å; L813-V834 HydrophobicContact CD2-CB 4.07Å; L813-V834 HydrophobicContact CD2-CG1 4.34Å; L813-V834 HydrophobicContact CD2-CG2 4.15Å; L813-V862 HydrophobicContact CD1-CG1 4.35Å; L813-T866 HydrophobicContact CD1-CG2 3.72Å
814	V	93.6	Very high	92.6	Very high	3 Å²	3	39 Å²	39	2%	0.018	24%	0.235	C	C	.	.	S	Bend	trans	-138.4	142.3	177	179.5	0	0	0	0	109.3	L766 L788 L791 C808 G812 L822 L826	L766-V814 HydrophobicContact CD1-CG2 3.97Å; L788-V814 HydrophobicContact CD2-CG1 3.5Å; L788-V814 VanDerWaalsContact CD2-CG1 3.5Å; L791-V814 HydrophobicContact CD1-CB 4.32Å; L791-V814 HydrophobicContact CD1-CG1 3.94Å; L791-V814 HydrophobicContact CD1-CG2 4.35Å; C808-V814 PolarHBondContact O-N 3.31Å; G812-V814 PolarHBondContact O-N 2.97Å; V814-L822 HydrophobicContact CB-CD1 4.21Å; V814-L822 HydrophobicContact CG1-CD1 3.66Å; V814-L822 HydrophobicContact CG2-CD1 3.4Å; V814-L822 VanDerWaalsContact CG2-CD1 3.4Å; V814-L826 HydrophobicContact CG2-CD2 4.04Å
815	S	92.7	Very high	92.6	Very high	51 Å²	51	39.5 Å²	39.5	36%	0.357	24%	0.237	S	C	.	.			trans	-110.2	118.6	169	-179.5	0	0	0	0	110.6	S817 S818 Q825	S815-S817 VanDerWaalsContact C-N 3.28Å; S815-S817 PolarHBondContact O-N 3.07Å; S815-S817 PolarHBondContact OG-OG 3.17Å; S815-S817 VanDerWaalsContact OG-OG 3.11Å; S815-S818 WeakPolarHBondContact O-CB 3.44Å; S815-S818 PolarHBondContact O-N 2.91Å; S815-Q825 PolarHBondContact O-NE2 3.35Å; S815-Q825 PolarHBondContact O-OE1 3.34Å
816	L	89.6	Confident	92.6	Very high	43 Å²	43	38.8 Å²	38.8	23%	0.225	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.9	178.9	-62.5	179.1	0	0	0	113.3	L788 L791 Y794 V809 S818	L788-L816 HydrophobicContact CB-CD2 4.32Å; L788-L816 HydrophobicContact CD2-CD2 4.06Å; L791-L816 HydrophobicContact CB-CD2 3.9Å; L791-L816 HydrophobicContact CD1-CD2 4.2Å; Y794-L816 HydrophobicContact CD1-CD1 3.62Å; Y794-L816 HydrophobicContact CE1-CD1 3.31Å; V809-L816 HydrophobicContact CG1-CD1 4.44Å; V809-L816 HydrophobicContact CG2-CD1 3.81Å; V809-L816 HydrophobicContact CG2-CG 4.02Å; L816-S818 VanDerWaalsContact C-N 3.33Å
817	S	87	Confident	92.6	Very high	112 Å²	112	43 Å²	43	78%	0.783	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.5	176.6	56.4	0	0	0	0	113.4	S815	S815-S817 VanDerWaalsContact C-N 3.28Å; S815-S817 PolarHBondContact O-N 3.07Å; S815-S817 PolarHBondContact OG-OG 3.17Å; S815-S817 VanDerWaalsContact OG-OG 3.11Å
818	S	87.9	Confident	92.4	Very high	37 Å²	37	49 Å²	49	26%	0.259	28%	0.283	S	S	.	.			trans	-72.6	145.4	178.3	-179.6	0	0	0	0	111.8	S815 L816 H820	S815-S818 WeakPolarHBondContact O-CB 3.44Å; S815-S818 PolarHBondContact O-N 2.91Å; L816-S818 VanDerWaalsContact C-N 3.33Å; S818-H820 VanDerWaalsContact C-N 3.26Å; S818-H820 PolarHBondContact OG-N 3.28Å
819	Q	87.9	Confident	92.2	Very high	187 Å²	187	52.6 Å²	52.6	87%	0.874	31%	0.308	S	S	*	.	S	Bend	trans	-76.4	-13.7	172.4	-63.8	-69.4	-16	0	0	112.7
820	H	92.2	Very high	92.2	Very high	82 Å²	82	53 Å²	53	38%	0.38	31%	0.306	S	S	.	.	S	Bend	trans	-83.6	135.7	-178.9	-62.1	110.1	0	0	0	111.5	S818 Q824 Q825	S818-H820 VanDerWaalsContact C-N 3.26Å; S818-H820 PolarHBondContact OG-N 3.28Å; H820-Q824 HydrophobicContact CB-CB 4.45Å; H820-Q824 HydrophobicContact CB-CG 4.44Å; H820-Q824 VanDerWaalsContact CD2-CD 3.44Å; H820-Q824 PolarHBondContact CD2-NE2 3.15Å; H820-Q824 VanDerWaalsContact CD2-NE2 3.29Å; H820-Q824 PolarHBondContact CD2-OE1 2.74Å; H820-Q825 HydrophobicContact CB-CG 3.93Å; H820-Q825 PolarHBondContact O-NE2 3Å
821	P	93.9	Very high	92	Very high	80 Å²	80	54 Å²	54	52%	0.519	32%	0.319	S	S	.	.			trans	-57.3	155	172.6	-23.6	33.5	0	0	0	112.7	G823 Q824 Q825	P821-G823 PolarHBondContact O-N 2.87Å; P821-Q824 WeakPolarHBondContact O-CB 3.26Å; P821-Q824 PolarHBondContact O-N 3.03Å; P821-Q825 PolarHBondContact O-N 3.27Å; P821-Q825 VanDerWaalsContact O-N 3.12Å
822	L	93.9	Very high	92	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-49.5	-53	-177.1	178.8	59.2	0	0	0	112.6	L766 C785 L788 L791 V814 Q824 Q825 L826	L766-L822 HydrophobicContact CD1-CD1 4.37Å; C785-L822 HydrophobicContact CB-CD2 4.24Å; C785-L822 WeakPolarHBondContact O-CD2 3.4Å; L788-L822 HydrophobicContact CD2-CB 4.14Å; L788-L822 HydrophobicContact CD2-CD1 4.23Å; L788-L822 HydrophobicContact CG-CB 4.33Å; L791-L822 HydrophobicContact CD1-CD1 4.24Å; V814-L822 HydrophobicContact CB-CD1 4.21Å; V814-L822 HydrophobicContact CG1-CD1 3.66Å; V814-L822 HydrophobicContact CG2-CD1 3.4Å; V814-L822 VanDerWaalsContact CG2-CD1 3.4Å; L822-Q824 VanDerWaalsContact C-N 3.26Å; L822-Q824 PolarHBondContact O-N 3.15Å; L822-Q825 WeakPolarHBondContact O-CB 3.28Å; L822-Q825 PolarHBondContact O-N 2.95Å; L822-Q825 VanDerWaalsContact O-N 3.16Å; L822-L826 HydrophobicContact CD1-CD1 3.94Å; L822-L826 HydrophobicContact CD1-CG 4.1Å; L822-L826 HydrophobicContact CG-CD1 3.91Å; L822-L826 HydrophobicContact CG-CG 4.44Å; L822-L826 WeakPolarHBondContact O-CG 3.36Å; L822-L826 PolarHBondContact O-N 3.42Å
823	G	93.3	Very high	92.2	Very high	20 Å²	20	51.6 Å²	51.6	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-32.3	-178.2	0	0	0	0	0	114.1	P764 P821 M827	P764-G823 VanDerWaalsContact O-CA 3.3Å; P764-G823 WeakPolarHBondContact O-CA 3.17Å; P821-G823 PolarHBondContact O-N 2.87Å; G823-M827 WeakPolarHBondContact O-CB 3.44Å; G823-M827 PolarHBondContact O-N 2.61Å
824	Q	94.4	Very high	92.5	Very high	76 Å²	76	51.5 Å²	51.5	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-70.1	-43.6	175.7	-175.3	178.2	0.7	0	0	111.3	H820 P821 L822 L826 M827 Q828	H820-Q824 HydrophobicContact CB-CB 4.45Å; H820-Q824 HydrophobicContact CB-CG 4.44Å; H820-Q824 VanDerWaalsContact CD2-CD 3.44Å; H820-Q824 PolarHBondContact CD2-NE2 3.15Å; H820-Q824 VanDerWaalsContact CD2-NE2 3.29Å; H820-Q824 PolarHBondContact CD2-OE1 2.74Å; P821-Q824 WeakPolarHBondContact O-CB 3.26Å; P821-Q824 PolarHBondContact O-N 3.03Å; L822-Q824 VanDerWaalsContact C-N 3.26Å; L822-Q824 PolarHBondContact O-N 3.15Å; Q824-L826 VanDerWaalsContact C-N 3.33Å; Q824-L826 PolarHBondContact O-N 3.47Å; Q824-M827 PolarHBondContact O-N 3.45Å; Q824-Q828 HydrophobicContact CG-CG 4.28Å; Q824-Q828 WeakPolarHBondContact O-CB 3.44Å; Q824-Q828 VanDerWaalsContact O-CG 3.29Å; Q824-Q828 WeakPolarHBondContact O-CG 3.42Å; Q824-Q828 PolarHBondContact O-N 3.37Å
825	Q	95.5	Very high	92.6	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-57.9	-48	175.3	-62.8	-175.1	41.4	0	0	110.8	S815 H820 P821 L822 M827 Q828 S829	S815-Q825 PolarHBondContact O-NE2 3.35Å; S815-Q825 PolarHBondContact O-OE1 3.34Å; H820-Q825 HydrophobicContact CB-CG 3.93Å; H820-Q825 PolarHBondContact O-NE2 3Å; P821-Q825 PolarHBondContact O-N 3.27Å; P821-Q825 VanDerWaalsContact O-N 3.12Å; L822-Q825 WeakPolarHBondContact O-CB 3.28Å; L822-Q825 PolarHBondContact O-N 2.95Å; L822-Q825 VanDerWaalsContact O-N 3.16Å; Q825-M827 PolarHBondContact O-N 3.37Å; Q825-Q828 PolarHBondContact O-N 3.36Å; Q825-S829 WeakPolarHBondContact O-CB 3.4Å; Q825-S829 PolarHBondContact O-N 3.4Å; Q825-S829 PolarHBondContact O-OG 2.81Å
826	L	95	Very high	92.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-44.8	-178.6	-66.9	175.7	0	0	0	112.2	L766 L813 V814 L822 Q824 W830 G831 G832	L766-L826 HydrophobicContact CD2-CD1 4.08Å; L766-L826 HydrophobicContact CD2-CD2 3.92Å; L766-L826 HydrophobicContact CG-CD1 4.09Å; L813-L826 HydrophobicContact CG-CD2 4.33Å; V814-L826 HydrophobicContact CG2-CD2 4.04Å; L822-L826 HydrophobicContact CD1-CD1 3.94Å; L822-L826 HydrophobicContact CD1-CG 4.1Å; L822-L826 HydrophobicContact CG-CD1 3.91Å; L822-L826 HydrophobicContact CG-CG 4.44Å; L822-L826 WeakPolarHBondContact O-CG 3.36Å; L822-L826 PolarHBondContact O-N 3.42Å; Q824-L826 VanDerWaalsContact C-N 3.33Å; Q824-L826 PolarHBondContact O-N 3.47Å; L826-W830 WeakPolarHBondContact O-CA 3.32Å; L826-W830 WeakPolarHBondContact O-CB 3.39Å; L826-W830 PolarHBondContact O-N 3.41Å; L826-G831 PolarHBondContact O-N 2.85Å; L826-G832 CarbonylContact C-O 3.48Å; L826-G832 WeakPolarHBondContact CB-O 3.28Å; L826-G832 VanDerWaalsContact O-O 3.07Å
827	M	93.9	Very high	93	Very high	90 Å²	90	48.5 Å²	48.5	44%	0.443	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-45.4	179	-169.6	60	72.3	0	0	112.1	P764 G823 Q824 Q825 G831	P764-M827 HydrophobicContact CB-CE 4.04Å; P764-M827 HydrophobicContact CG-CE 4.18Å; G823-M827 WeakPolarHBondContact O-CB 3.44Å; G823-M827 PolarHBondContact O-N 2.61Å; Q824-M827 PolarHBondContact O-N 3.45Å; Q825-M827 PolarHBondContact O-N 3.37Å; M827-G831 VanDerWaalsContact O-CA 3.31Å; M827-G831 WeakPolarHBondContact O-CA 3.5Å; M827-G831 PolarHBondContact O-N 3.29Å
828	Q	92.3	Very high	93.4	Very high	125 Å²	125	43.2 Å²	43.2	58%	0.584	24%	0.237	S	C	*	.	H	α-helix	trans	-69.2	-41.2	-177.3	-72.8	179.7	-17.5	0	0	112.7	Q824 Q825	Q824-Q828 HydrophobicContact CG-CG 4.28Å; Q824-Q828 WeakPolarHBondContact O-CB 3.44Å; Q824-Q828 VanDerWaalsContact O-CG 3.29Å; Q824-Q828 WeakPolarHBondContact O-CG 3.42Å; Q824-Q828 PolarHBondContact O-N 3.37Å; Q825-Q828 PolarHBondContact O-N 3.36Å
829	S	90.8	Very high	93.6	Very high	75 Å²	75	42 Å²	42	52%	0.524	23%	0.227	S	C	.	.	H	α-helix	trans	-85.4	-33.8	-175.7	-61.3	0	0	0	0	113	Q825	Q825-S829 WeakPolarHBondContact O-CB 3.4Å; Q825-S829 PolarHBondContact O-N 3.4Å; Q825-S829 PolarHBondContact O-OG 2.81Å
830	W	92.4	Very high	93.7	Very high	41 Å²	41	33.9 Å²	33.9	16%	0.155	19%	0.191	C	C	.	.	H	α-helix	trans	-128.3	-4.7	-166.1	-44.2	117.4	0	0	0	114.5	R760 L813 L826 G832 T866	R760-W830 PolarHBondContact NH1-O 3.36Å; R760-W830 VanDerWaalsContact NH1-O 3.13Å; L813-W830 HydrophobicContact CD1-CD2 4.36Å; L813-W830 HydrophobicContact CD1-CG 4.3Å; L813-W830 HydrophobicContact CD1-CZ2 4.5Å; L813-W830 PolarHBondContact O-NE1 3.46Å; L826-W830 WeakPolarHBondContact O-CA 3.32Å; L826-W830 WeakPolarHBondContact O-CB 3.39Å; L826-W830 PolarHBondContact O-N 3.41Å; W830-G832 VanDerWaalsContact C-N 3.29Å; W830-T866 HydrophobicContact CD2-CG2 3.94Å; W830-T866 HydrophobicContact CE3-CG2 3.81Å; W830-T866 HydrophobicContact CG-CG2 4.43Å; W830-T866 HydrophobicContact CZ3-CG2 4.17Å
831	G	90.3	Very high	93.6	Very high	40 Å²	40	34.2 Å²	34.2	41%	0.412	19%	0.192	S	C	.	.	S	Bend	trans	75.2	13.9	-179.7	0	0	0	0	0	114.5	L826 M827	L826-G831 PolarHBondContact O-N 2.85Å; M827-G831 VanDerWaalsContact O-CA 3.31Å; M827-G831 WeakPolarHBondContact O-CA 3.5Å; M827-G831 PolarHBondContact O-N 3.29Å
832	G	93.1	Very high	93.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.01	17%	0.171	C	C	.	.	S	Bend	trans	160.4	-171.8	-174.4	0	0	0	0	0	111.7	I761 L826 W830	I761-G832 CarbonylContact O-C 3.55Å; I761-G832 VanDerWaalsContact O-CA 3.25Å; I761-G832 WeakPolarHBondContact O-CA 3.42Å; L826-G832 CarbonylContact C-O 3.48Å; L826-G832 WeakPolarHBondContact CB-O 3.28Å; L826-G832 VanDerWaalsContact O-O 3.07Å; W830-G832 VanDerWaalsContact C-N 3.29Å
833	G	95.4	Very high	92.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-175.3	176.3	0	0	0	0	0	113.8	R760 I761 K763 H765	R760-G833 WeakPolarHBondContact CA-O 3.43Å; I761-G833 WeakPolarHBondContact CG1-O 3.38Å; I761-G833 PolarHBondContact N-O 3.19Å; I761-G833 PolarHBondContact O-N 2.71Å; K763-G833 WeakPolarHBondContact O-CA 3.3Å; K763-G833 PolarHBondContact O-N 3.2Å; H765-G833 WeakPolarHBondContact O-CA 3.22Å
834	V	96.5	Very high	91.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.3	175.9	173.9	0	0	0	0	110.4	R759 H765 L766 L767 L813	R759-V834 WeakPolarHBondContact O-CA 3.31Å; H765-V834 PolarHBondContact O-N 2.82Å; H765-V834 VanDerWaalsContact O-N 3.16Å; L766-V834 WeakPolarHBondContact CA-O 3.48Å; L766-V834 HydrophobicContact CD2-CB 3.98Å; L767-V834 PolarHBondContact N-O 2.95Å; L813-V834 HydrophobicContact CD1-CG2 3.74Å; L813-V834 HydrophobicContact CD2-CB 4.07Å; L813-V834 HydrophobicContact CD2-CG1 4.34Å; L813-V834 HydrophobicContact CD2-CG2 4.15Å
835	E	96.9	Very high	90.8	Very high	18 Å²	18	36.5 Å²	36.5	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.2	170	-176.8	179.5	168.8	0	0	109.1	W712 A758 R759 I761 L767 H837	W712-E835 HydrophobicContact CH2-CB 4.33Å; W712-E835 HydrophobicContact CH2-CG 3.73Å; W712-E835 WeakPolarHBondContact CH2-OE1 3.45Å; W712-E835 HydrophobicContact CZ3-CG 4.45Å; A758-E835 CarbonylContact C-O 3.52Å; A758-E835 VanDerWaalsContact CA-O 3.23Å; A758-E835 WeakPolarHBondContact CA-O 3.44Å; R759-E835 HydrophobicContact CG-CB 4Å; R759-E835 IonicContact CZ-OE2 3.79Å; R759-E835 PolarHBondContact N-O 3.44Å; R759-E835 IonicContact NE-OE2 3.82Å; R759-E835 PolarHBondContact NE-OE2 3.14Å; R759-E835 IonicContact NH2-OE1 3.31Å; R759-E835 IonicContact NH2-OE2 3.64Å; R759-E835 PolarHBondContact NH2-OE2 3.4Å; R759-E835 PolarHBondContact O-N 3.22Å; I761-E835 HydrophobicContact CG2-CB 3.89Å; L767-E835 HydrophobicContact CB-CB 4.23Å; L767-E835 HydrophobicContact CB-CG 4.01Å; L767-E835 HydrophobicContact CD2-CG 3.72Å; L767-E835 HydrophobicContact CG-CG 3.89Å; L767-E835 CarbonylContact O-C 3.53Å; L767-E835 WeakPolarHBondContact O-CA 3.17Å; E835-H837 IonicContact OE1-CD2 3.28Å; E835-H837 IonicContact OE1-CE1 3.42Å; E835-H837 PolarHBondContact OE1-CE1 3.38Å; E835-H837 IonicContact OE1-NE2 2.74Å; E835-H837 PolarHBondContact OE1-NE2 3.4Å
836	L	95.9	Very high	90.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121.7	-172.9	-175.1	64	0	0	0	110.4	A758 L767 L768 V769 L804 V807 L858 V862	A758-L836 HydrophobicContact CB-CD1 3.72Å; L767-L836 PolarHBondContact O-N 2.91Å; L768-L836 HydrophobicContact CD2-CB 4Å; L768-L836 HydrophobicContact CD2-CD2 4.33Å; V769-L836 PolarHBondContact N-O 3.47Å; L804-L836 HydrophobicContact CB-CD2 4.22Å; L804-L836 HydrophobicContact CD2-CB 4.44Å; L804-L836 HydrophobicContact CD2-CD2 4.1Å; L804-L836 HydrophobicContact CD2-CG 4.06Å; L804-L836 HydrophobicContact CG-CD2 4.3Å; V807-L836 HydrophobicContact CG1-CD2 4.32Å; L836-L858 HydrophobicContact CD1-CD2 3.59Å; L836-L858 HydrophobicContact CD2-CD2 3.85Å; L836-L858 HydrophobicContact CG-CD2 3.64Å; L836-V862 HydrophobicContact CD1-CG2 3.73Å; L836-V862 HydrophobicContact CD2-CG2 4.17Å
837	H	95.3	Very high	89.6	Confident	16 Å²	16	36.8 Å²	36.8	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.6	179.7	-67.4	-158.2	0	0	0	110.1	W712 A756 R757 V769 E835	W712-H837 AromaticContact CH2-CD2 3.68Å; W712-H837 AromaticContact CH2-CE1 3.81Å; W712-H837 AromaticContact CH2-NE2 3.54Å; A756-H837 CarbonylContact C-O 3.49Å; A756-H837 VanDerWaalsContact CA-O 3.23Å; A756-H837 WeakPolarHBondContact CA-O 3.38Å; R757-H837 HydrophobicContact CG-CB 3.7Å; R757-H837 PolarHBondContact N-O 3.33Å; R757-H837 PolarHBondContact NE-ND1 2.97Å; R757-H837 VanDerWaalsContact NE-ND1 3.13Å; R757-H837 PolarHBondContact NH2-CE1 3.22Å; R757-H837 PolarHBondContact NH2-ND1 3.09Å; R757-H837 PolarHBondContact O-N 3.37Å; V769-H837 HydrophobicContact CB-CB 4.39Å; V769-H837 WeakPolarHBondContact CG2-NE2 3.38Å; V769-H837 CarbonylContact O-C 3.55Å; V769-H837 WeakPolarHBondContact O-CA 3.38Å; E835-H837 IonicContact OE1-CD2 3.28Å; E835-H837 IonicContact OE1-CE1 3.42Å; E835-H837 PolarHBondContact OE1-CE1 3.38Å; E835-H837 IonicContact OE1-NE2 2.74Å; E835-H837 PolarHBondContact OE1-NE2 3.4Å
838	S	93.8	Very high	89.4	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.4	176	58.3	0	0	0	0	111	V769 S770 C771	V769-S838 PolarHBondContact O-N 2.85Å; V769-S838 PolarHBondContact O-OG 2.78Å; S770-S838 PolarHBondContact OG-OG 3.13Å; C771-S838 PolarHBondContact N-O 3.36Å
839	W	92.5	Very high	89.2	Confident	10 Å²	10	26.8 Å²	26.8	4%	0.038	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.8	170.7	63.7	93.5	0	0	0	112.2	E714 E716 G755 A756 R757 C771	E714-W839 HydrophobicContact CG-CH2 4.06Å; E716-W839 HydrophobicContact CG-CZ2 4.33Å; G755-W839 VanDerWaalsContact CA-CE2 3.48Å; G755-W839 PolarHBondContact N-O 3.22Å; G755-W839 VanDerWaalsContact N-O 3.13Å; G755-W839 PolarHBondContact O-N 2.92Å; A756-W839 VanDerWaalsContact C-CH2 3.44Å; A756-W839 VanDerWaalsContact CA-CZ3 3.42Å; R757-W839 HydrophobicContact CB-CH2 4.33Å; R757-W839 HydrophobicContact CB-CZ3 4.21Å; R757-W839 HydrophobicContact CG-CH2 4.46Å; R757-W839 HydrophobicContact CG-CZ3 3.95Å; C771-W839 HydrophobicContact CB-CB 4.07Å
840	S	90.4	Very high	89.1	Confident	17 Å²	17	24 Å²	24	12%	0.119	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.1	162.7	-168.3	0	0	0	0	110.9	P753 G774 L842 T850	P753-S840 CarbonylContact O-C 3.6Å; P753-S840 VanDerWaalsContact O-CA 3.29Å; P753-S840 WeakPolarHBondContact O-CA 3.12Å; G774-S840 PolarHBondContact N-O 2.9Å; S840-L842 VanDerWaalsContact C-N 3.28Å; S840-L842 PolarHBondContact OG-N 2.97Å; S840-L842 VanDerWaalsContact OG-N 3.16Å; S840-T850 VanDerWaalsContact OG-CG2 3.23Å; S840-T850 WeakPolarHBondContact OG-CG2 3.29Å
841	E	89.3	Confident	89	Confident	89 Å²	89	25.8 Å²	25.8	42%	0.416	17%	0.173	S	C	.	.	S	Bend	trans	-83.4	-6.8	168.4	-59	-168.7	179.8	0	0	111.8	K751 P753	K751-E841 WeakPolarHBondContact CD-OE2 3.36Å; K751-E841 IonicContact NZ-OE1 3.84Å; K751-E841 IonicContact NZ-OE2 3.34Å; K751-E841 PolarHBondContact NZ-OE2 3.33Å; P753-E841 HydrophobicContact CB-CB 3.95Å; P753-E841 PolarHBondContact O-N 3.48Å
842	L	87.4	Confident	89.1	Confident	15 Å²	15	24.1 Å²	24.1	8%	0.079	16%	0.155	C	C	.	.	S	Bend	trans	-93	143.1	175.9	-61.7	175	0	0	0	110.9	A719 V748 P753 I754 S840 L848 F1037	A719-L842 HydrophobicContact CB-CD1 4Å; V748-L842 HydrophobicContact CG2-CD2 4.35Å; P753-L842 HydrophobicContact CB-CD1 4.37Å; P753-L842 HydrophobicContact CB-CD2 4.3Å; P753-L842 HydrophobicContact CB-CG 3.9Å; P753-L842 HydrophobicContact CG-CD1 3.79Å; P753-L842 HydrophobicContact CG-CD2 4.29Å; P753-L842 HydrophobicContact CG-CG 3.86Å; I754-L842 HydrophobicContact CD1-CD1 4.34Å; I754-L842 HydrophobicContact CG1-CD1 4.49Å; S840-L842 VanDerWaalsContact C-N 3.28Å; S840-L842 PolarHBondContact OG-N 2.97Å; S840-L842 VanDerWaalsContact OG-N 3.16Å; L842-L848 HydrophobicContact CD1-CB 4.05Å; L842-L848 HydrophobicContact CD1-CD1 3.82Å; L842-L848 HydrophobicContact CD2-CD1 4.05Å; L842-F1037 HydrophobicContact CD2-CE2 4.26Å; L842-F1037 HydrophobicContact CD2-CZ 4.41Å
843	P	78.9	Confident	89.2	Confident	47 Å²	47	24.1 Å²	24.1	31%	0.305	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-64.6	146.4	174.9	26.4	-33.4	0	0	0	111.3	G845 S846 Y939 F1037	P843-G845 PolarHBondContact O-N 2.87Å; P843-S846 VanDerWaalsContact O-CB 3.25Å; P843-S846 WeakPolarHBondContact O-CB 3.4Å; P843-S846 PolarHBondContact O-N 3.43Å; P843-Y939 HydrophobicContact CG-CD2 4.32Å; P843-Y939 HydrophobicContact CG-CE2 3.7Å; P843-F1037 HydrophobicContact CG-CE2 4.21Å
844	T	76.6	Confident	89.1	Confident	128 Å²	128	25 Å²	25	79%	0.785	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	132.2	170.7	-48.3	0	0	0	0	109.9	T943	T844-T943 WeakPolarHBondContact O-CG2 3.22Å
845	G	74.8	Confident	89.1	Confident	35 Å²	35	25 Å²	25	36%	0.361	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	22.5	-173.9	0	0	0	0	0	114.1	P843 G847	P843-G845 PolarHBondContact O-N 2.87Å; G845-G847 PolarHBondContact O-N 3.02Å
846	S	82.6	Confident	89	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.014	16%	0.155	C	C	.	.			trans	-56	-27.3	170.8	62	0	0	0	0	113.5	P843 L848 T850 G1036 F1037	P843-S846 VanDerWaalsContact O-CB 3.25Å; P843-S846 WeakPolarHBondContact O-CB 3.4Å; P843-S846 PolarHBondContact O-N 3.43Å; S846-L848 VanDerWaalsContact C-N 3.25Å; S846-L848 PolarHBondContact OG-N 3Å; S846-T850 PolarHBondContact OG-OG1 3.36Å; S846-G1036 WeakPolarHBondContact O-CA 3.47Å; S846-F1037 PolarHBondContact O-N 2.71Å
847	G	83.1	Confident	89.1	Confident	20 Å²	20	24.1 Å²	24.1	21%	0.206	16%	0.155	C	C	.	.	S	Bend	trans	80.4	2	-171.8	0	0	0	0	0	113.6	R720 G845 G849 A1030 G1031	R720-G847 VanDerWaalsContact CZ-O 3.24Å; R720-G847 PolarHBondContact NH1-O 3.37Å; R720-G847 PolarHBondContact NH2-O 3.39Å; G845-G847 PolarHBondContact O-N 3.02Å; G847-G849 PolarHBondContact O-N 3.11Å; G847-A1030 CarbonylContact O-C 3.43Å; G847-A1030 WeakPolarHBondContact O-CB 3.29Å; G847-G1031 VanDerWaalsContact O-CA 3.28Å; G847-G1031 WeakPolarHBondContact O-CA 3.15Å; G847-G1031 PolarHBondContact O-N 2.92Å
848	L	90.3	Very high	89.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-95	23.7	-175.6	-63.1	175.1	0	0	0	113.9	A719 L721 L842 S846 T850 L937 A1030 F1037	A719-L848 HydrophobicContact CB-CB 4.28Å; A719-L848 HydrophobicContact CB-CD1 4.4Å; L721-L848 HydrophobicContact CD2-CD2 3.32Å; L842-L848 HydrophobicContact CD1-CB 4.05Å; L842-L848 HydrophobicContact CD1-CD1 3.82Å; L842-L848 HydrophobicContact CD2-CD1 4.05Å; S846-L848 VanDerWaalsContact C-N 3.25Å; S846-L848 PolarHBondContact OG-N 3Å; L848-T850 VanDerWaalsContact C-N 3.31Å; L848-T850 PolarHBondContact O-N 3.35Å; L848-L937 HydrophobicContact CD1-CD1 4.39Å; L848-L937 HydrophobicContact CD2-CD2 4.28Å; L848-A1030 HydrophobicContact CD2-CB 3.87Å; L848-F1037 HydrophobicContact CD1-CB 4.41Å; L848-F1037 HydrophobicContact CD1-CD2 3.55Å; L848-F1037 HydrophobicContact CD1-CE2 3.89Å; L848-F1037 HydrophobicContact CD1-CG 3.97Å; L848-F1037 HydrophobicContact CD2-CB 4.36Å; L848-F1037 HydrophobicContact CG-CB 4.35Å; L848-F1037 HydrophobicContact CG-CD2 4.01Å; L848-F1037 HydrophobicContact CG-CG 4.39Å
849	G	86.5	Confident	89.3	Confident	5 Å²	5	23.3 Å²	23.3	5%	0.052	15%	0.151	C	C	.	.			trans	72.2	17.8	177.3	0	0	0	0	0	115.6	R720 G847 S851 S852 I853 D894	R720-G849 VanDerWaalsContact NH2-N 3.14Å; G847-G849 PolarHBondContact O-N 3.11Å; G849-S851 VanDerWaalsContact C-N 3.3Å; G849-S851 PolarHBondContact O-N 3.37Å; G849-S851 VanDerWaalsContact O-N 3.15Å; G849-S852 PolarHBondContact O-N 2.88Å; G849-I853 WeakPolarHBondContact O-CB 3.29Å; G849-I853 WeakPolarHBondContact O-CD1 3.42Å; G849-I853 WeakPolarHBondContact O-CG1 3.16Å; G849-I853 PolarHBondContact O-N 2.89Å; G849-I853 VanDerWaalsContact O-N 3.07Å; G849-D894 WeakPolarHBondContact CA-OD2 3.24Å
850	T	89.3	Confident	89.5	Confident	17 Å²	17	22.9 Å²	22.9	10%	0.104	15%	0.15	C	C	.	.	H	α-helix	trans	-50.7	-44	-170.8	-53.3	0	0	0	0	113.9	I754 S840 S846 L848 L854	I754-T850 HydrophobicContact CD1-CG2 4.3Å; I754-T850 HydrophobicContact CG1-CG2 4.23Å; S840-T850 VanDerWaalsContact OG-CG2 3.23Å; S840-T850 WeakPolarHBondContact OG-CG2 3.29Å; S846-T850 PolarHBondContact OG-OG1 3.36Å; L848-T850 VanDerWaalsContact C-N 3.31Å; L848-T850 PolarHBondContact O-N 3.35Å; T850-L854 WeakPolarHBondContact O-CB 3.06Å; T850-L854 PolarHBondContact O-N 3.3Å
851	S	89.3	Confident	89.8	Confident	79 Å²	79	22 Å²	22	55%	0.552	14%	0.144	S	C	*	.	H	α-helix	trans	-67.4	-49.4	-176.4	-61.8	0	0	0	0	113	G849 L854 A855	G849-S851 VanDerWaalsContact C-N 3.3Å; G849-S851 PolarHBondContact O-N 3.37Å; G849-S851 VanDerWaalsContact O-N 3.15Å; S851-L854 PolarHBondContact O-N 3.42Å; S851-A855 PolarHBondContact O-N 3.3Å
852	S	92.8	Very high	90.1	Very high	5 Å²	5	17.8 Å²	17.8	4%	0.035	12%	0.124	C	C	.	.	H	α-helix	trans	-68.3	-39.6	-178.6	-37.3	0	0	0	0	111.6	G849 L854 A855 G856 E883 D894	G849-S852 PolarHBondContact O-N 2.88Å; S852-L854 VanDerWaalsContact C-N 3.34Å; S852-A855 WeakPolarHBondContact O-CB 3.36Å; S852-A855 PolarHBondContact O-N 3.49Å; S852-G856 PolarHBondContact O-N 3.47Å; S852-G856 VanDerWaalsContact O-N 3.07Å; S852-E883 WeakPolarHBondContact CB-OE1 3.23Å; S852-E883 PolarHBondContact OG-OE1 3Å; S852-D894 WeakPolarHBondContact OG-CB 3.27Å
853	I	95.3	Very high	90.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.4	-41.4	176.3	-61.5	169	0	0	0	110.3	C717 R720 I754 G849 A855 G856 A857 D894	C717-I853 HydrophobicContact CB-CG2 3.32Å; R720-I853 HydrophobicContact CB-CD1 4.34Å; R720-I853 HydrophobicContact CG-CD1 3.81Å; I754-I853 HydrophobicContact CB-CG2 4.31Å; I754-I853 HydrophobicContact CD1-CB 3.96Å; I754-I853 HydrophobicContact CD1-CD1 3.97Å; I754-I853 HydrophobicContact CD1-CG2 3.8Å; I754-I853 HydrophobicContact CG2-CG2 4.04Å; G849-I853 WeakPolarHBondContact O-CB 3.29Å; G849-I853 WeakPolarHBondContact O-CD1 3.42Å; G849-I853 WeakPolarHBondContact O-CG1 3.16Å; G849-I853 PolarHBondContact O-N 2.89Å; G849-I853 VanDerWaalsContact O-N 3.07Å; I853-A855 VanDerWaalsContact C-N 3.34Å; I853-G856 PolarHBondContact O-N 3.38Å; I853-A857 PolarHBondContact O-N 3.04Å; I853-D894 WeakPolarHBondContact CG1-O 3.38Å
854	L	94.4	Very high	91.3	Very high	20 Å²	20	19 Å²	19	11%	0.105	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-38.6	175.9	-176.2	61.8	0	0	0	111.7	I754 G755 L803 T850 S851 S852 G856 A857 L858	I754-L854 HydrophobicContact CG2-CB 3.86Å; I754-L854 HydrophobicContact CG2-CD1 3.91Å; I754-L854 HydrophobicContact CG2-CG 4.49Å; G755-L854 VanDerWaalsContact O-CD1 3.3Å; G755-L854 WeakPolarHBondContact O-CD1 3.41Å; L803-L854 HydrophobicContact CD2-CB 4.36Å; L803-L854 HydrophobicContact CD2-CD2 3.91Å; L803-L854 HydrophobicContact CD2-CG 4.06Å; T850-L854 WeakPolarHBondContact O-CB 3.06Å; T850-L854 PolarHBondContact O-N 3.3Å; S851-L854 PolarHBondContact O-N 3.42Å; S852-L854 VanDerWaalsContact C-N 3.34Å; L854-G856 VanDerWaalsContact C-N 3.32Å; L854-G856 PolarHBondContact O-N 2.96Å; L854-A857 PolarHBondContact O-N 2.96Å; L854-L858 HydrophobicContact CD1-CG 4.47Å; L854-L858 HydrophobicContact CG-CD1 4.06Å; L854-L858 HydrophobicContact CG-CG 4.48Å; L854-L858 WeakPolarHBondContact O-CB 3.43Å; L854-L858 VanDerWaalsContact O-CG 3.27Å; L854-L858 WeakPolarHBondContact O-CG 3.35Å; L854-L858 PolarHBondContact O-N 3.28Å
855	A	95.1	Very high	92.1	Very high	1 Å²	1	13 Å²	13	1%	0.008	9%	0.085	C	C	.	.	H	α-helix	trans	-57.8	-45	172.6	0	0	0	0	0	111.5	L803 S851 S852 I853 L858 L859 V879 L882	L803-A855 HydrophobicContact CD1-CB 3.79Å; S851-A855 PolarHBondContact O-N 3.3Å; S852-A855 WeakPolarHBondContact O-CB 3.36Å; S852-A855 PolarHBondContact O-N 3.49Å; I853-A855 VanDerWaalsContact C-N 3.34Å; A855-L858 PolarHBondContact O-N 2.79Å; A855-L859 WeakPolarHBondContact O-CB 3.27Å; A855-L859 WeakPolarHBondContact O-CG 3.46Å; A855-L859 PolarHBondContact O-N 3.05Å; A855-V879 HydrophobicContact CB-CG1 4.17Å; A855-V879 HydrophobicContact CB-CG2 4.27Å; A855-L882 HydrophobicContact CB-CD2 4.11Å
856	G	96.2	Very high	93.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-42.2	175.8	0	0	0	0	0	113	S852 I853 L854 L858 L859 A860 V879	S852-G856 PolarHBondContact O-N 3.47Å; S852-G856 VanDerWaalsContact O-N 3.07Å; I853-G856 PolarHBondContact O-N 3.38Å; L854-G856 VanDerWaalsContact C-N 3.32Å; L854-G856 PolarHBondContact O-N 2.96Å; G856-L858 PolarHBondContact O-N 3.41Å; G856-L859 PolarHBondContact O-N 3.35Å; G856-A860 VanDerWaalsContact O-CB 3.28Å; G856-A860 WeakPolarHBondContact O-CB 3.45Å; G856-A860 PolarHBondContact O-N 3.39Å; G856-V879 VanDerWaalsContact CA-CG2 3.47Å
857	A	96.7	Very high	93.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62	-42.2	175.5	0	0	0	0	0	112.2	V715 A756 I853 L854 A861	V715-A857 HydrophobicContact CG1-CB 4.11Å; A756-A857 HydrophobicContact CB-CB 3.89Å; I853-A857 PolarHBondContact O-N 3.04Å; L854-A857 PolarHBondContact O-N 2.96Å; A857-A861 WeakPolarHBondContact O-CB 3.13Å; A857-A861 PolarHBondContact O-N 2.64Å
858	L	97.1	Very high	94.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66.5	-46.1	178.3	-72.2	165.3	0	0	0	111.8	A756 L803 L804 V807 L836 L854 A855 G856 A860 A861 V862	A756-L858 HydrophobicContact CB-CB 4.43Å; A756-L858 HydrophobicContact CB-CD2 3.57Å; A756-L858 HydrophobicContact CB-CG 3.85Å; L803-L858 HydrophobicContact CD2-CD1 3.99Å; L803-L858 HydrophobicContact CG-CD1 3.93Å; L804-L858 HydrophobicContact CG-CD1 4.4Å; V807-L858 HydrophobicContact CB-CB 4.44Å; V807-L858 HydrophobicContact CG1-CB 4.07Å; V807-L858 HydrophobicContact CG2-CB 3.75Å; V807-L858 HydrophobicContact CG2-CD1 4.1Å; L836-L858 HydrophobicContact CD1-CD2 3.59Å; L836-L858 HydrophobicContact CD2-CD2 3.85Å; L836-L858 HydrophobicContact CG-CD2 3.64Å; L854-L858 HydrophobicContact CD1-CG 4.47Å; L854-L858 HydrophobicContact CG-CD1 4.06Å; L854-L858 HydrophobicContact CG-CG 4.48Å; L854-L858 WeakPolarHBondContact O-CB 3.43Å; L854-L858 VanDerWaalsContact O-CG 3.27Å; L854-L858 WeakPolarHBondContact O-CG 3.35Å; L854-L858 PolarHBondContact O-N 3.28Å; A855-L858 PolarHBondContact O-N 2.79Å; G856-L858 PolarHBondContact O-N 3.41Å; L858-A860 VanDerWaalsContact C-N 3.35Å; L858-A860 PolarHBondContact O-N 3.46Å; L858-A861 PolarHBondContact O-N 3.14Å; L858-V862 WeakPolarHBondContact O-CB 3.16Å; L858-V862 WeakPolarHBondContact O-CG2 3.47Å; L858-V862 PolarHBondContact O-N 3.16Å
859	L	96.9	Very high	94.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.6	-47.3	175.2	-76.9	168.9	0	0	0	111	V807 A855 G856 A861 V862 Y863 L875 A878 V879 L882	V807-L859 HydrophobicContact CG1-CD2 4.1Å; V807-L859 HydrophobicContact CG1-CG 4.4Å; A855-L859 WeakPolarHBondContact O-CB 3.27Å; A855-L859 WeakPolarHBondContact O-CG 3.46Å; A855-L859 PolarHBondContact O-N 3.05Å; G856-L859 PolarHBondContact O-N 3.35Å; L859-A861 PolarHBondContact O-N 3.25Å; L859-V862 PolarHBondContact O-N 2.84Å; L859-Y863 HydrophobicContact CB-CD2 4.43Å; L859-Y863 HydrophobicContact CB-CE2 3.98Å; L859-Y863 HydrophobicContact CD2-CE2 4.32Å; L859-Y863 WeakPolarHBondContact O-CB 3.45Å; L859-Y863 WeakPolarHBondContact O-CD2 3.34Å; L859-Y863 VanDerWaalsContact O-CG 3.24Å; L859-Y863 PolarHBondContact O-N 3.4Å; L859-L875 HydrophobicContact CB-CD1 3.61Å; L859-L875 HydrophobicContact CD1-CD1 4.27Å; L859-A878 HydrophobicContact CD1-CB 3.9Å; L859-V879 HydrophobicContact CD1-CG2 4.04Å; L859-L882 HydrophobicContact CD1-CD1 3.98Å; L859-L882 HydrophobicContact CD2-CD1 4.14Å; L859-L882 HydrophobicContact CG-CD1 4.1Å
860	A	96.6	Very high	94.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.7	-47.3	175.8	0	0	0	0	0	112.6	V715 G856 L858 V862 Y863 R864 Y870 L875 I1076	V715-A860 HydrophobicContact CG1-CB 4.31Å; V715-A860 HydrophobicContact CG2-CB 4.12Å; G856-A860 VanDerWaalsContact O-CB 3.28Å; G856-A860 WeakPolarHBondContact O-CB 3.45Å; G856-A860 PolarHBondContact O-N 3.39Å; L858-A860 VanDerWaalsContact C-N 3.35Å; L858-A860 PolarHBondContact O-N 3.46Å; A860-V862 PolarHBondContact O-N 2.82Å; A860-Y863 PolarHBondContact O-N 2.92Å; A860-R864 VanDerWaalsContact O-CG 3.29Å; A860-R864 WeakPolarHBondContact O-CG 3.44Å; A860-R864 PolarHBondContact O-N 3.44Å; A860-Y870 HydrophobicContact CB-CE1 3.8Å; A860-Y870 HydrophobicContact CB-CE2 4.2Å; A860-Y870 VanDerWaalsContact CB-OH 3.29Å; A860-Y870 WeakPolarHBondContact CB-OH 3.25Å; A860-L875 HydrophobicContact CB-CD2 4.2Å; A860-I1076 HydrophobicContact CB-CD1 3.65Å
861	A	96.5	Very high	94.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.2	-43.4	178.3	0	0	0	0	0	111.9	V715 A756 A758 A857 L858 L859 R864 C865	V715-A861 HydrophobicContact CG2-CB 4.17Å; A756-A861 HydrophobicContact CB-CB 4.43Å; A758-A861 HydrophobicContact CB-CB 3.82Å; A857-A861 WeakPolarHBondContact O-CB 3.13Å; A857-A861 PolarHBondContact O-N 2.64Å; L858-A861 PolarHBondContact O-N 3.14Å; L859-A861 PolarHBondContact O-N 3.25Å; A861-R864 PolarHBondContact O-N 3.32Å; A861-C865 PolarHBondContact O-N 2.91Å
862	V	96.5	Very high	95.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66	-46	178.2	170.1	0	0	0	0	111.7	A758 V807 L813 L836 L858 L859 A860 R864 C865 T866	A758-V862 HydrophobicContact CB-CG2 4.41Å; V807-V862 HydrophobicContact CG1-CG2 3.99Å; L813-V862 HydrophobicContact CD1-CG1 4.35Å; L836-V862 HydrophobicContact CD1-CG2 3.73Å; L836-V862 HydrophobicContact CD2-CG2 4.17Å; L858-V862 WeakPolarHBondContact O-CB 3.16Å; L858-V862 WeakPolarHBondContact O-CG2 3.47Å; L858-V862 PolarHBondContact O-N 3.16Å; L859-V862 PolarHBondContact O-N 2.84Å; A860-V862 PolarHBondContact O-N 2.82Å; V862-R864 VanDerWaalsContact C-N 3.32Å; V862-R864 PolarHBondContact O-N 3.34Å; V862-C865 PolarHBondContact O-N 3.46Å; V862-C865 PolarHBondContact O-SG 2.84Å; V862-C865 VanDerWaalsContact O-SG 3.36Å; V862-T866 WeakPolarHBondContact O-CB 3.47Å; V862-T866 WeakPolarHBondContact O-CG2 3.31Å; V862-T866 PolarHBondContact O-N 2.86Å; V862-T866 VanDerWaalsContact O-N 3.14Å; V862-T866 PolarHBondContact O-OG1 2.86Å
863	Y	95.9	Very high	95.1	Very high	6 Å²	6	21.6 Å²	21.6	2%	0.024	11%	0.109	C	C	.	.	H	α-helix	trans	-57.9	-47.4	176.8	-66.3	-38.7	0	0	0	110.7	I701 L859 A860 T866 G867 R868 Y870 L875	I701-Y863 HydrophobicContact CD1-CD1 4.4Å; I701-Y863 HydrophobicContact CD1-CD2 4.02Å; I701-Y863 HydrophobicContact CD1-CE1 3.98Å; I701-Y863 HydrophobicContact CD1-CE2 3.55Å; I701-Y863 HydrophobicContact CD1-CG 4.44Å; I701-Y863 HydrophobicContact CG1-CE1 4.23Å; I701-Y863 HydrophobicContact CG2-CD1 4.3Å; I701-Y863 HydrophobicContact CG2-CE1 4.45Å; L859-Y863 HydrophobicContact CB-CD2 4.43Å; L859-Y863 HydrophobicContact CB-CE2 3.98Å; L859-Y863 HydrophobicContact CD2-CE2 4.32Å; L859-Y863 WeakPolarHBondContact O-CB 3.45Å; L859-Y863 WeakPolarHBondContact O-CD2 3.34Å; L859-Y863 VanDerWaalsContact O-CG 3.24Å; L859-Y863 PolarHBondContact O-N 3.4Å; A860-Y863 PolarHBondContact O-N 2.92Å; Y863-T866 PolarHBondContact O-N 2.83Å; Y863-T866 PolarHBondContact O-OG1 3.05Å; Y863-T866 VanDerWaalsContact O-OG1 3.08Å; Y863-G867 PolarHBondContact O-N 3.17Å; Y863-R868 CarbonylContact C-O 3.57Å; Y863-R868 VanDerWaalsContact C-O 3.29Å; Y863-R868 HydrophobicContact CD1-CB 4.46Å; Y863-R868 WeakPolarHBondContact O-CA 3.44Å; Y863-R868 WeakPolarHBondContact O-CB 3.49Å; Y863-R868 PolarHBondContact O-N 3.13Å; Y863-R868 VanDerWaalsContact O-O 3.08Å; Y863-Y870 AromaticContact CD2-CD1 3.97Å; Y863-Y870 HydrophobicContact CD2-CD1 3.97Å; Y863-Y870 HydrophobicContact CD2-CG 4.21Å; Y863-Y870 HydrophobicContact CG-CD1 4.42Å; Y863-L875 HydrophobicContact CE2-CD1 4.28Å
864	R	94.1	Very high	95.1	Very high	82 Å²	82	21.7 Å²	21.7	31%	0.309	11%	0.11	S	C	.	.	H	α-helix	trans	-63.5	-47.2	179.5	-68.6	179.7	63.7	76.4	9.6	113.4	P707 Q713 A860 A861 V862 T866 G867 Y870 I1078	P707-R864 WeakPolarHBondContact CD-O 3.3Å; P707-R864 WeakPolarHBondContact CG-O 3.41Å; Q713-R864 HydrophobicContact CB-CB 4.01Å; Q713-R864 HydrophobicContact CG-CB 3.96Å; Q713-R864 VanDerWaalsContact OE1-NH2 3.15Å; A860-R864 VanDerWaalsContact O-CG 3.29Å; A860-R864 WeakPolarHBondContact O-CG 3.44Å; A860-R864 PolarHBondContact O-N 3.44Å; A861-R864 PolarHBondContact O-N 3.32Å; V862-R864 VanDerWaalsContact C-N 3.32Å; V862-R864 PolarHBondContact O-N 3.34Å; R864-T866 PolarHBondContact O-N 3.06Å; R864-G867 PolarHBondContact O-N 2.91Å; R864-G867 VanDerWaalsContact O-N 3.1Å; R864-Y870 HydrophobicContact CG-CE1 3.99Å; R864-I1078 VanDerWaalsContact NH1-CD1 3.28Å
865	C	95	Very high	95.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	11%	0.105	C	C	.	.	H	α-helix	trans	-67.6	-21.9	-177.1	80.4	0	0	0	0	112.5	Q713 A758 R760 A861 V862	Q713-C865 HydrophobicContact CB-CB 4.3Å; Q713-C865 HydrophobicContact CG-CB 3.92Å; A758-C865 HydrophobicContact CB-CB 4.1Å; R760-C865 VanDerWaalsContact CD-O 3.27Å; R760-C865 WeakPolarHBondContact CD-O 3.21Å; R760-C865 VanDerWaalsContact CG-O 3.28Å; R760-C865 WeakPolarHBondContact CG-O 3.43Å; R760-C865 PolarHBondContact NE-O 3.48Å; A861-C865 PolarHBondContact O-N 2.91Å; V862-C865 PolarHBondContact O-N 3.46Å; V862-C865 PolarHBondContact O-SG 2.84Å; V862-C865 VanDerWaalsContact O-SG 3.36Å
866	T	94.6	Very high	95.2	Very high	9 Å²	9	20.8 Å²	20.8	6%	0.055	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	9.5	176.1	54	0	0	0	0	113.9	L813 W830 V862 Y863 R864 R868	L813-T866 HydrophobicContact CD1-CG2 3.72Å; W830-T866 HydrophobicContact CD2-CG2 3.94Å; W830-T866 HydrophobicContact CE3-CG2 3.81Å; W830-T866 HydrophobicContact CG-CG2 4.43Å; W830-T866 HydrophobicContact CZ3-CG2 4.17Å; V862-T866 WeakPolarHBondContact O-CB 3.47Å; V862-T866 WeakPolarHBondContact O-CG2 3.31Å; V862-T866 PolarHBondContact O-N 2.86Å; V862-T866 VanDerWaalsContact O-N 3.14Å; V862-T866 PolarHBondContact O-OG1 2.86Å; Y863-T866 PolarHBondContact O-N 2.83Å; Y863-T866 PolarHBondContact O-OG1 3.05Å; Y863-T866 VanDerWaalsContact O-OG1 3.08Å; R864-T866 PolarHBondContact O-N 3.06Å; T866-R868 VanDerWaalsContact C-N 3.34Å; T866-R868 PolarHBondContact OG1-NE 3.36Å; T866-R868 PolarHBondContact OG1-NH2 2.87Å
867	G	93	Very high	95.2	Very high	9 Å²	9	20.8 Å²	20.8	9%	0.093	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	29.3	179.5	0	0	0	0	0	113.7	G704 A706 Y863 R864	G704-G867 CarbonylContact C-O 3.56Å; G704-G867 VanDerWaalsContact C-O 3.29Å; G704-G867 WeakPolarHBondContact CA-O 3.48Å; G704-G867 PolarHBondContact N-O 3.39Å; A706-G867 VanDerWaalsContact CA-CA 3.47Å; Y863-G867 PolarHBondContact O-N 3.17Å; R864-G867 PolarHBondContact O-N 2.91Å; R864-G867 VanDerWaalsContact O-N 3.1Å
868	R	94.9	Very high	95.1	Very high	38 Å²	38	20.8 Å²	20.8	14%	0.143	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.3	177	-66.4	179.5	-70.5	172.1	-1.2	110.5	I701 G702 S811 Y863 T866	I701-R868 HydrophobicContact CG2-CB 3.78Å; I701-R868 HydrophobicContact CG2-CG 4.24Å; G702-R868 WeakPolarHBondContact O-CA 3.4Å; S811-R868 PolarHBondContact O-NH1 2.97Å; Y863-R868 CarbonylContact C-O 3.57Å; Y863-R868 VanDerWaalsContact C-O 3.29Å; Y863-R868 HydrophobicContact CD1-CB 4.46Å; Y863-R868 WeakPolarHBondContact O-CA 3.44Å; Y863-R868 WeakPolarHBondContact O-CB 3.49Å; Y863-R868 PolarHBondContact O-N 3.13Å; Y863-R868 VanDerWaalsContact O-O 3.08Å; T866-R868 VanDerWaalsContact C-N 3.34Å; T866-R868 PolarHBondContact OG1-NE 3.36Å; T866-R868 PolarHBondContact OG1-NH2 2.87Å
869	T	93.4	Very high	95	Very high	71 Å²	71	20.8 Å²	20.8	44%	0.436	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.4	178	57.6	0	0	0	0	110.2	G702	G702-T869 VanDerWaalsContact C-OG1 3.26Å; G702-T869 VanDerWaalsContact CA-OG1 3.22Å; G702-T869 WeakPolarHBondContact CA-OG1 3.16Å; G702-T869 PolarHBondContact N-O 3.29Å; G702-T869 PolarHBondContact O-N 2.89Å
870	Y	94	Very high	94.8	Very high	47 Å²	47	20.8 Å²	20.8	18%	0.184	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.5	179.8	64.1	-90	0	0	0	109.2	A860 Y863 R864 L875	A860-Y870 HydrophobicContact CB-CE1 3.8Å; A860-Y870 HydrophobicContact CB-CE2 4.2Å; A860-Y870 VanDerWaalsContact CB-OH 3.29Å; A860-Y870 WeakPolarHBondContact CB-OH 3.25Å; Y863-Y870 AromaticContact CD2-CD1 3.97Å; Y863-Y870 HydrophobicContact CD2-CD1 3.97Å; Y863-Y870 HydrophobicContact CD2-CG 4.21Å; Y863-Y870 HydrophobicContact CG-CD1 4.42Å; R864-Y870 HydrophobicContact CG-CE1 3.99Å; Y870-L875 HydrophobicContact CD2-CB 4.22Å; Y870-L875 HydrophobicContact CD2-CD2 4.12Å; Y870-L875 HydrophobicContact CE2-CD2 3.84Å
871	D	93.8	Very high	94.7	Very high	70 Å²	70	22.8 Å²	22.8	37%	0.374	11%	0.113	S	C	.	.			trans	-104	165.1	163.4	70.1	77.8	0	0	0	110.3	D873 S874 L875	D871-D873 VanDerWaalsContact C-N 3.31Å; D871-D873 PolarHBondContact O-N 2.9Å; D871-D873 WeakPolarHBondContact OD1-CA 3.4Å; D871-D873 WeakPolarHBondContact OD1-CB 3.28Å; D871-D873 PolarHBondContact OD1-N 3.34Å; D871-S874 PolarHBondContact O-N 2.83Å; D871-S874 PolarHBondContact OD1-N 2.9Å; D871-S874 PolarHBondContact OD1-OG 3.24Å; D871-S874 WeakPolarHBondContact OD2-CB 3.39Å; D871-S874 PolarHBondContact OD2-OG 2.8Å; D871-L875 PolarHBondContact O-N 3.48Å
872	T	93.6	Very high	94.5	Very high	40 Å²	40	22.8 Å²	22.8	25%	0.245	11%	0.113	C	C	.	.	H	α-helix	trans	-67.9	-31.1	-175.8	-46.7	0	0	0	0	112.8	L875 I876 L899 V900	T872-L875 PolarHBondContact O-N 2.95Å; T872-I876 HydrophobicContact CG2-CD1 4.33Å; T872-I876 WeakPolarHBondContact O-CG1 3.4Å; T872-I876 PolarHBondContact O-N 2.97Å; T872-L899 HydrophobicContact CG2-CB 4.04Å; T872-V900 HydrophobicContact CG2-CG2 3.79Å
873	D	94.3	Very high	94.3	Very high	59 Å²	59	23.3 Å²	23.3	32%	0.316	12%	0.116	S	C	.	.	H	α-helix	trans	-67.8	-47.4	178.1	-173.2	71.4	0	0	0	110.6	D871 L875 I876 H877	D871-D873 VanDerWaalsContact C-N 3.31Å; D871-D873 PolarHBondContact O-N 2.9Å; D871-D873 WeakPolarHBondContact OD1-CA 3.4Å; D871-D873 WeakPolarHBondContact OD1-CB 3.28Å; D871-D873 PolarHBondContact OD1-N 3.34Å; D873-L875 PolarHBondContact O-N 3.14Å; D873-I876 WeakPolarHBondContact O-CB 3.32Å; D873-I876 PolarHBondContact O-N 2.76Å; D873-H877 PolarHBondContact O-N 2.77Å; D873-H877 VanDerWaalsContact O-N 3.11Å; D873-H877 PolarHBondContact O-ND1 2.68Å; D873-H877 IonicContact OD1-CE1 2.74Å; D873-H877 PolarHBondContact OD1-CE1 2.85Å; D873-H877 IonicContact OD1-ND1 3.66Å; D873-H877 IonicContact OD2-CE1 2.74Å; D873-H877 PolarHBondContact OD2-CE1 3.31Å; D873-H877 IonicContact OD2-ND1 2.71Å
874	S	94.9	Very high	94	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-56.6	-39.8	171.9	-68	0	0	0	0	111.7	S700 D871 H877 A878	S700-S874 PolarHBondContact N-OG 2.85Å; S700-S874 WeakPolarHBondContact O-CB 3.47Å; S700-S874 PolarHBondContact O-OG 3.49Å; S700-S874 VanDerWaalsContact O-OG 3.1Å; D871-S874 PolarHBondContact O-N 2.83Å; D871-S874 PolarHBondContact OD1-N 2.9Å; D871-S874 PolarHBondContact OD1-OG 3.24Å; D871-S874 WeakPolarHBondContact OD2-CB 3.39Å; D871-S874 PolarHBondContact OD2-OG 2.8Å; S874-H877 PolarHBondContact O-N 3.43Å; S874-A878 VanDerWaalsContact O-CB 3.27Å; S874-A878 WeakPolarHBondContact O-CB 3.26Å; S874-A878 PolarHBondContact O-N 2.75Å
875	L	95.5	Very high	93.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-68.8	-39.3	178.7	-167.1	63.8	0	0	0	112.5	L859 A860 Y863 Y870 D871 T872 D873 A878 V879 L899 I1076	L859-L875 HydrophobicContact CB-CD1 3.61Å; L859-L875 HydrophobicContact CD1-CD1 4.27Å; A860-L875 HydrophobicContact CB-CD2 4.2Å; Y863-L875 HydrophobicContact CE2-CD1 4.28Å; Y870-L875 HydrophobicContact CD2-CB 4.22Å; Y870-L875 HydrophobicContact CD2-CD2 4.12Å; Y870-L875 HydrophobicContact CE2-CD2 3.84Å; D871-L875 PolarHBondContact O-N 3.48Å; T872-L875 PolarHBondContact O-N 2.95Å; D873-L875 PolarHBondContact O-N 3.14Å; L875-A878 PolarHBondContact O-N 3.07Å; L875-V879 WeakPolarHBondContact O-CG2 3.48Å; L875-V879 PolarHBondContact O-N 3.29Å; L875-L899 HydrophobicContact CB-CD1 4.35Å; L875-L899 HydrophobicContact CD2-CD1 3.91Å; L875-L899 HydrophobicContact CD2-CD2 4.12Å; L875-L899 HydrophobicContact CG-CD1 3.86Å; L875-I1076 HydrophobicContact CD2-CD1 3.69Å
876	I	95.8	Very high	93.3	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-58.8	-48	174.5	-75.2	160.7	0	0	0	110.4	T872 D873 V879 L880 Q895 V896 L899 V900 V916 V918	T872-I876 HydrophobicContact CG2-CD1 4.33Å; T872-I876 WeakPolarHBondContact O-CG1 3.4Å; T872-I876 PolarHBondContact O-N 2.97Å; D873-I876 WeakPolarHBondContact O-CB 3.32Å; D873-I876 PolarHBondContact O-N 2.76Å; I876-V879 PolarHBondContact O-N 2.79Å; I876-L880 PolarHBondContact O-N 2.8Å; I876-Q895 HydrophobicContact CB-CG 4.26Å; I876-Q895 HydrophobicContact CG1-CG 4.33Å; I876-Q895 HydrophobicContact CG2-CG 3.83Å; I876-V896 HydrophobicContact CD1-CG2 4.15Å; I876-V896 HydrophobicContact CG1-CG2 4.49Å; I876-V896 HydrophobicContact CG2-CG2 4.12Å; I876-L899 HydrophobicContact CG1-CD1 4.14Å; I876-V900 HydrophobicContact CD1-CG2 3.9Å; I876-V916 HydrophobicContact CG2-CB 4.22Å; I876-V916 HydrophobicContact CG2-CG1 4.35Å; I876-V916 HydrophobicContact CG2-CG2 4.46Å; I876-V918 HydrophobicContact CD1-CG2 3.96Å
877	H	95.6	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.6	-31.5	179.2	-65.4	96	0	0	0	112.3	F698 I699 D873 S874 L880 Y881 V916	F698-H877 HydrophobicContact CB-CB 4.21Å; F698-H877 AromaticContact CD2-CD2 3.86Å; I699-H877 HydrophobicContact CG1-CB 3.96Å; D873-H877 PolarHBondContact O-N 2.77Å; D873-H877 VanDerWaalsContact O-N 3.11Å; D873-H877 PolarHBondContact O-ND1 2.68Å; D873-H877 IonicContact OD1-CE1 2.74Å; D873-H877 PolarHBondContact OD1-CE1 2.85Å; D873-H877 IonicContact OD1-ND1 3.66Å; D873-H877 IonicContact OD2-CE1 2.74Å; D873-H877 PolarHBondContact OD2-CE1 3.31Å; D873-H877 IonicContact OD2-ND1 2.71Å; S874-H877 PolarHBondContact O-N 3.43Å; H877-L880 PolarHBondContact O-N 3.01Å; H877-Y881 WeakPolarHBondContact O-CB 3.36Å; H877-Y881 PolarHBondContact O-N 3.49Å; H877-V916 PolarHBondContact NE2-N 3.11Å
878	A	95.2	Very high	92	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-40.1	173.2	0	0	0	0	0	112.5	I699 L859 S874 L875 Y881 L882	I699-A878 VanDerWaalsContact CD1-CA 3.49Å; I699-A878 HydrophobicContact CD1-CB 3.91Å; I699-A878 HydrophobicContact CG1-CB 4.26Å; I699-A878 HydrophobicContact CG2-CB 4.27Å; L859-A878 HydrophobicContact CD1-CB 3.9Å; S874-A878 VanDerWaalsContact O-CB 3.27Å; S874-A878 WeakPolarHBondContact O-CB 3.26Å; S874-A878 PolarHBondContact O-N 2.75Å; L875-A878 PolarHBondContact O-N 3.07Å; A878-Y881 PolarHBondContact O-N 3.25Å; A878-L882 VanDerWaalsContact O-CB 3.24Å; A878-L882 WeakPolarHBondContact O-CB 3.39Å; A878-L882 PolarHBondContact O-N 3.07Å
879	V	95.3	Very high	91.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-45	172.4	174.6	0	0	0	0	110.7	A855 G856 L859 L875 I876 Y881 L882 E883 Q895 L899	A855-V879 HydrophobicContact CB-CG1 4.17Å; A855-V879 HydrophobicContact CB-CG2 4.27Å; G856-V879 VanDerWaalsContact CA-CG2 3.47Å; L859-V879 HydrophobicContact CD1-CG2 4.04Å; L875-V879 WeakPolarHBondContact O-CG2 3.48Å; L875-V879 PolarHBondContact O-N 3.29Å; I876-V879 PolarHBondContact O-N 2.79Å; V879-Y881 VanDerWaalsContact C-N 3.29Å; V879-Y881 PolarHBondContact O-N 3.38Å; V879-L882 PolarHBondContact O-N 2.79Å; V879-L882 VanDerWaalsContact O-N 3.14Å; V879-E883 HydrophobicContact CG1-CG 4.37Å; V879-E883 WeakPolarHBondContact O-CG 3.38Å; V879-E883 PolarHBondContact O-N 3.33Å; V879-Q895 HydrophobicContact CB-CB 4.04Å; V879-Q895 HydrophobicContact CB-CG 4.27Å; V879-Q895 HydrophobicContact CG1-CB 3.93Å; V879-Q895 HydrophobicContact CG1-CG 4.29Å; V879-Q895 HydrophobicContact CG2-CB 4.4Å; V879-L899 HydrophobicContact CG2-CD1 4.43Å
880	L	93.2	Very high	90.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57	-44.1	177.7	-175.4	62	0	0	0	111.5	V692 I876 H877 Q884 W892 L914	V692-L880 HydrophobicContact CG1-CD1 3.76Å; V692-L880 HydrophobicContact CG1-CD2 4.1Å; V692-L880 HydrophobicContact CG1-CG 3.66Å; I876-L880 PolarHBondContact O-N 2.8Å; H877-L880 PolarHBondContact O-N 3.01Å; L880-Q884 WeakPolarHBondContact O-CG 3.32Å; L880-W892 HydrophobicContact CD1-CB 4.42Å; L880-L914 HydrophobicContact CD2-CD2 3.98Å; L880-L914 HydrophobicContact CD2-CG 4.26Å
881	Y	93.6	Very high	90.3	Very high	41 Å²	41	21.1 Å²	21.1	16%	0.161	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-43.2	175.2	177.6	-105.4	0	0	0	112.5	M693 Q696 I699 H877 A878 V879 E883 Q884 I885	M693-Y881 HydrophobicContact CB-CD2 3.91Å; M693-Y881 HydrophobicContact CB-CE2 3.92Å; M693-Y881 HydrophobicContact CG-CD2 3.81Å; M693-Y881 HydrophobicContact CG-CE2 3.83Å; M693-Y881 HydrophobicContact SD-CE2 4.44Å; Q696-Y881 HydrophobicContact CB-CD2 3.83Å; Q696-Y881 HydrophobicContact CB-CE2 3.99Å; Q696-Y881 HydrophobicContact CB-CG 4.35Å; Q696-Y881 HydrophobicContact CG-CD2 4.37Å; Q696-Y881 HydrophobicContact CG-CE2 4.26Å; Q696-Y881 PolarHBondContact OE1-OH 3.25Å; I699-Y881 HydrophobicContact CD1-CG 4.47Å; H877-Y881 WeakPolarHBondContact O-CB 3.36Å; H877-Y881 PolarHBondContact O-N 3.49Å; A878-Y881 PolarHBondContact O-N 3.25Å; V879-Y881 VanDerWaalsContact C-N 3.29Å; V879-Y881 PolarHBondContact O-N 3.38Å; Y881-E883 PolarHBondContact O-N 3.46Å; Y881-Q884 WeakPolarHBondContact O-CB 3.33Å; Y881-Q884 PolarHBondContact O-N 3.34Å; Y881-I885 HydrophobicContact CD1-CD1 3.75Å; Y881-I885 HydrophobicContact CD1-CG1 4.48Å; Y881-I885 HydrophobicContact CE1-CD1 3.21Å; Y881-I885 HydrophobicContact CE1-CG1 4.13Å; Y881-I885 PolarHBondContact O-N 3.03Å; Y881-I885 VanDerWaalsContact O-N 3.12Å
882	L	93.1	Very high	90.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.7	-42	179.5	-173.3	151.3	0	0	0	112.5	L803 A806 V807 C810 A855 L859 A878 V879 Q884 I885 L886	L803-L882 HydrophobicContact CD1-CD2 3.78Å; A806-L882 HydrophobicContact CB-CD2 4.43Å; A806-L882 HydrophobicContact CB-CG 4.47Å; V807-L882 HydrophobicContact CB-CD1 4.23Å; V807-L882 HydrophobicContact CG2-CD1 3.52Å; C810-L882 HydrophobicContact CB-CB 4.24Å; C810-L882 HydrophobicContact CB-CD1 3.79Å; C810-L882 HydrophobicContact CB-CG 4.04Å; A855-L882 HydrophobicContact CB-CD2 4.11Å; L859-L882 HydrophobicContact CD1-CD1 3.98Å; L859-L882 HydrophobicContact CD2-CD1 4.14Å; L859-L882 HydrophobicContact CG-CD1 4.1Å; A878-L882 VanDerWaalsContact O-CB 3.24Å; A878-L882 WeakPolarHBondContact O-CB 3.39Å; A878-L882 PolarHBondContact O-N 3.07Å; V879-L882 PolarHBondContact O-N 2.79Å; V879-L882 VanDerWaalsContact O-N 3.14Å; L882-Q884 PolarHBondContact O-N 2.84Å; L882-I885 WeakPolarHBondContact O-CB 3.48Å; L882-I885 PolarHBondContact O-N 3.17Å; L882-I885 VanDerWaalsContact O-N 3.12Å; L882-L886 HydrophobicContact CD2-CD1 3.44Å; L882-L886 VanDerWaalsContact CD2-CD1 3.44Å; L882-L886 HydrophobicContact CD2-CG 3.94Å; L882-L886 PolarHBondContact O-N 3.02Å
883	E	91.6	Very high	90.4	Very high	12 Å²	12	16.8 Å²	16.8	6%	0.056	10%	0.102	C	C	.	.	H	α-helix	trans	-64.6	-30.7	178.6	-72.7	-173.5	154.2	0	0	112.8	S852 V879 Y881 L886 T887 T888 G889	S852-E883 WeakPolarHBondContact CB-OE1 3.23Å; S852-E883 PolarHBondContact OG-OE1 3Å; V879-E883 HydrophobicContact CG1-CG 4.37Å; V879-E883 WeakPolarHBondContact O-CG 3.38Å; V879-E883 PolarHBondContact O-N 3.33Å; Y881-E883 PolarHBondContact O-N 3.46Å; E883-L886 PolarHBondContact O-N 3.36Å; E883-T887 PolarHBondContact O-N 3.18Å; E883-T888 PolarHBondContact O-N 3.18Å; E883-T888 PolarHBondContact O-OG1 2.93Å; E883-G889 PolarHBondContact O-N 2.87Å
884	Q	89.5	Confident	90.5	Very high	13 Å²	13	15.4 Å²	15.4	6%	0.061	10%	0.095	C	C	.	.	H	α-helix	trans	-67.7	-45.3	171.5	-66.1	-35.5	-57.7	0	0	110.9	R689 V692 M693 L880 Y881 L882 L886 T887	R689-Q884 WeakPolarHBondContact CD-O 3.21Å; R689-Q884 HydrophobicContact CG-CB 3.6Å; R689-Q884 HydrophobicContact CG-CG 4.2Å; V692-Q884 HydrophobicContact CB-CG 3.78Å; V692-Q884 HydrophobicContact CG1-CG 3.53Å; M693-Q884 HydrophobicContact CE-CB 3.76Å; M693-Q884 HydrophobicContact CG-CB 3.64Å; M693-Q884 HydrophobicContact CG-CG 4.19Å; M693-Q884 HydrophobicContact SD-CB 4.44Å; L880-Q884 WeakPolarHBondContact O-CG 3.32Å; Y881-Q884 WeakPolarHBondContact O-CB 3.33Å; Y881-Q884 PolarHBondContact O-N 3.34Å; L882-Q884 PolarHBondContact O-N 2.84Å; Q884-L886 PolarHBondContact O-N 2.9Å; Q884-T887 PolarHBondContact O-N 3.09Å
885	I	87.9	Confident	90.4	Very high	15 Å²	15	15.3 Å²	15.3	8%	0.077	10%	0.095	C	C	.	.	H	α-helix	trans	-55.8	-41.2	173.5	-70.8	-179.5	0	0	0	111.1	M693 Y794 A806 C810 Y881 L882 T887	M693-I885 HydrophobicContact CE-CB 4.34Å; M693-I885 HydrophobicContact CE-CG1 3.62Å; Y794-I885 HydrophobicContact CD2-CG2 3.44Å; Y794-I885 VanDerWaalsContact CD2-CG2 3.44Å; Y794-I885 HydrophobicContact CE2-CB 4.47Å; Y794-I885 HydrophobicContact CE2-CG2 3.19Å; A806-I885 HydrophobicContact CB-CG2 4.41Å; C810-I885 HydrophobicContact CB-CD1 4.09Å; Y881-I885 HydrophobicContact CD1-CD1 3.75Å; Y881-I885 HydrophobicContact CD1-CG1 4.48Å; Y881-I885 HydrophobicContact CE1-CD1 3.21Å; Y881-I885 HydrophobicContact CE1-CG1 4.13Å; Y881-I885 PolarHBondContact O-N 3.03Å; Y881-I885 VanDerWaalsContact O-N 3.12Å; L882-I885 WeakPolarHBondContact O-CB 3.48Å; L882-I885 PolarHBondContact O-N 3.17Å; L882-I885 VanDerWaalsContact O-N 3.12Å; I885-T887 VanDerWaalsContact C-N 3.25Å; I885-T887 PolarHBondContact O-N 3.09Å
886	L	86.7	Confident	90.5	Very high	11 Å²	11	15.3 Å²	15.3	6%	0.058	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.3	177.5	-79.7	179.4	0	0	0	114.6	Y794 P797 A802 L803 A806 L882 E883 Q884 T888	Y794-L886 WeakPolarHBondContact O-CD2 3.09Å; P797-L886 WeakPolarHBondContact CG-O 3.44Å; A802-L886 HydrophobicContact CB-CD2 4.38Å; L803-L886 HydrophobicContact CB-CD1 4.49Å; L803-L886 HydrophobicContact CD1-CD1 3.7Å; A806-L886 HydrophobicContact CB-CD1 4.33Å; A806-L886 HydrophobicContact CB-CD2 3.27Å; A806-L886 HydrophobicContact CB-CG 3.6Å; L882-L886 HydrophobicContact CD2-CD1 3.44Å; L882-L886 VanDerWaalsContact CD2-CD1 3.44Å; L882-L886 HydrophobicContact CD2-CG 3.94Å; L882-L886 PolarHBondContact O-N 3.02Å; E883-L886 PolarHBondContact O-N 3.36Å; Q884-L886 PolarHBondContact O-N 2.9Å; L886-T888 HydrophobicContact CB-CG2 4.17Å; L886-T888 PolarHBondContact O-N 2.53Å; L886-T888 VanDerWaalsContact O-N 3.14Å
887	T	83.1	Confident	90.4	Very high	64 Å²	64	15.2 Å²	15.2	39%	0.393	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	11.8	-173	79.2	0	0	0	0	115.2	S795 E883 Q884 I885 G889	S795-T887 PolarHBondContact O-OG1 3.11Å; E883-T887 PolarHBondContact O-N 3.18Å; Q884-T887 PolarHBondContact O-N 3.09Å; I885-T887 VanDerWaalsContact C-N 3.25Å; I885-T887 PolarHBondContact O-N 3.09Å; T887-G889 VanDerWaalsContact C-N 3.31Å
888	T	77.3	Confident	90.4	Very high	61 Å²	61	15.2 Å²	15.2	37%	0.374	9%	0.094	S	C	.	.			trans	-73.4	-29.7	174.4	49.9	0	0	0	0	111.5	P797 E883 L886	P797-T888 HydrophobicContact CB-CG2 3.81Å; P797-T888 HydrophobicContact CG-CG2 3.7Å; E883-T888 PolarHBondContact O-N 3.18Å; E883-T888 PolarHBondContact O-OG1 2.93Å; L886-T888 HydrophobicContact CB-CG2 4.17Å; L886-T888 PolarHBondContact O-N 2.53Å; L886-T888 VanDerWaalsContact O-N 3.14Å
889	G	76.1	Confident	90.4	Very high	21 Å²	21	15.2 Å²	15.2	22%	0.216	9%	0.094	C	C	.	.			trans	60.1	-165.8	-170.9	0	0	0	0	0	111.3	E883 T887	E883-G889 PolarHBondContact O-N 2.87Å; T887-G889 VanDerWaalsContact C-N 3.31Å
890	G	80.9	Confident	90.5	Very high	23 Å²	23	15.5 Å²	15.5	24%	0.237	10%	0.096	C	C	.	.			trans	138	168.4	-177.8	0	0	0	0	0	111.8	P731	P731-G890 WeakPolarHBondContact CD-O 3.09Å
891	G	89.8	Confident	90.6	Very high	8 Å²	8	15.7 Å²	15.7	8%	0.082	10%	0.097	C	C	.	.			trans	-93.8	174.2	167.7	0	0	0	0	0	111.4	D729	D729-G891 VanDerWaalsContact O-CA 3.23Å; D729-G891 WeakPolarHBondContact O-CA 3.48Å; D729-G891 WeakPolarHBondContact OD2-CA 3.48Å
892	W	94.9	Very high	90.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-87.2	-3.3	-175	50.4	-102.9	0	0	0	114.9	D729 V741 L880 D894 Q895 V896 G906 V916	D729-W892 HydrophobicContact CB-CD2 3.67Å; D729-W892 VanDerWaalsContact CB-CE2 3.42Å; D729-W892 HydrophobicContact CB-CE3 4.13Å; D729-W892 HydrophobicContact CB-CG 4.08Å; D729-W892 HydrophobicContact CB-CH2 4.08Å; D729-W892 HydrophobicContact CB-CZ2 3.67Å; D729-W892 HydrophobicContact CB-CZ3 4.3Å; D729-W892 VanDerWaalsContact O-CD1 3.26Å; D729-W892 PolarHBondContact O-N 2.93Å; D729-W892 PolarHBondContact O-NE1 3.08Å; D729-W892 PolarHBondContact OD2-N 3.25Å; V741-W892 HydrophobicContact CB-CH2 4.04Å; V741-W892 HydrophobicContact CB-CZ3 4.09Å; V741-W892 HydrophobicContact CG2-CH2 3.89Å; V741-W892 HydrophobicContact CG2-CZ3 4.22Å; L880-W892 HydrophobicContact CD1-CB 4.42Å; W892-D894 VanDerWaalsContact C-N 3.28Å; W892-D894 PolarHBondContact O-N 3.37Å; W892-Q895 WeakPolarHBondContact O-CG 3.41Å; W892-Q895 PolarHBondContact O-OE1 2.96Å; W892-V896 HydrophobicContact CE3-CB 4.42Å; W892-V896 HydrophobicContact CE3-CG2 3.75Å; W892-V896 HydrophobicContact CZ3-CG2 4.29Å; W892-V896 WeakPolarHBondContact O-CG2 3.49Å; W892-V896 PolarHBondContact O-N 3.46Å; W892-G906 WeakPolarHBondContact CH2-O 3.39Å; W892-V916 HydrophobicContact CB-CG2 3.76Å; W892-V916 HydrophobicContact CD2-CG1 3.9Å; W892-V916 HydrophobicContact CD2-CG2 3.94Å; W892-V916 HydrophobicContact CE3-CG1 3.75Å; W892-V916 HydrophobicContact CG-CG1 4.31Å; W892-V916 HydrophobicContact CG-CG2 3.53Å; W892-V916 HydrophobicContact CZ3-CG1 4.3Å
893	Q	95.1	Very high	90.8	Very high	19 Å²	19	14 Å²	14	9%	0.089	9%	0.092	C	C	.	.	H	α-helix	trans	-64	-30.1	-173.3	74.7	-160.3	-58.1	0	0	113.7	D722 G726 D729 V741 N743 G897	D722-Q893 VanDerWaalsContact CG-OE1 3.3Å; D722-Q893 PolarHBondContact OD2-OE1 3.33Å; G726-Q893 VanDerWaalsContact CA-OE1 3.31Å; D729-Q893 HydrophobicContact CB-CB 4.25Å; D729-Q893 VanDerWaalsContact CG-NE2 3.28Å; D729-Q893 PolarHBondContact OD1-NE2 2.87Å; D729-Q893 VanDerWaalsContact OD2-CB 3.23Å; D729-Q893 WeakPolarHBondContact OD2-CB 3.1Å; D729-Q893 WeakPolarHBondContact OD2-CG 3.48Å; D729-Q893 PolarHBondContact OD2-N 3.41Å; D729-Q893 PolarHBondContact OD2-NE2 2.88Å; V741-Q893 HydrophobicContact CB-CB 4.26Å; V741-Q893 HydrophobicContact CG1-CB 3.96Å; V741-Q893 HydrophobicContact CG2-CB 4.18Å; N743-Q893 PolarHBondContact ND2-O 3.39Å; Q893-G897 WeakPolarHBondContact O-CA 3.37Å; Q893-G897 PolarHBondContact O-N 3.1Å
894	D	94.6	Very high	91.1	Very high	31 Å²	31	13.4 Å²	13.4	17%	0.166	9%	0.089	C	C	.	.	H	α-helix	trans	-70.5	-48.1	-172.4	-71.5	-3.1	0	0	0	111.1	R720 G849 S852 I853 W892 G897 G898	R720-D894 IonicContact CZ-OD1 2.7Å; R720-D894 IonicContact NE-OD1 2.68Å; R720-D894 PolarHBondContact NE-OD1 3.46Å; R720-D894 IonicContact NH2-OD1 3.12Å; R720-D894 PolarHBondContact NH2-OD1 3.5Å; R720-D894 IonicContact NH2-OD2 2.82Å; G849-D894 WeakPolarHBondContact CA-OD2 3.24Å; S852-D894 WeakPolarHBondContact OG-CB 3.27Å; I853-D894 WeakPolarHBondContact CG1-O 3.38Å; W892-D894 VanDerWaalsContact C-N 3.28Å; W892-D894 PolarHBondContact O-N 3.37Å; D894-G897 PolarHBondContact O-N 3.48Å; D894-G898 PolarHBondContact O-N 3.42Å
895	Q	94.1	Very high	91.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.9	-39.4	176.5	60.3	-90.1	40.4	0	0	112.3	I876 V879 W892 G897 L899	I876-Q895 HydrophobicContact CB-CG 4.26Å; I876-Q895 HydrophobicContact CG1-CG 4.33Å; I876-Q895 HydrophobicContact CG2-CG 3.83Å; V879-Q895 HydrophobicContact CB-CB 4.04Å; V879-Q895 HydrophobicContact CB-CG 4.27Å; V879-Q895 HydrophobicContact CG1-CB 3.93Å; V879-Q895 HydrophobicContact CG1-CG 4.29Å; V879-Q895 HydrophobicContact CG2-CB 4.4Å; W892-Q895 WeakPolarHBondContact O-CG 3.41Å; W892-Q895 PolarHBondContact O-OE1 2.96Å; Q895-G897 VanDerWaalsContact C-N 3.25Å; Q895-G897 PolarHBondContact O-N 3.14Å; Q895-L899 HydrophobicContact CB-CD1 3.97Å; Q895-L899 HydrophobicContact CB-CG 4.48Å; Q895-L899 WeakPolarHBondContact O-CB 3.46Å; Q895-L899 WeakPolarHBondContact O-CG 3.31Å; Q895-L899 PolarHBondContact O-N 3.18Å
896	V	96.5	Very high	92	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.9	-44.6	171.6	172.6	0	0	0	0	109.6	I876 W892 G898 V900 K904 V916 V918	I876-V896 HydrophobicContact CD1-CG2 4.15Å; I876-V896 HydrophobicContact CG1-CG2 4.49Å; I876-V896 HydrophobicContact CG2-CG2 4.12Å; W892-V896 HydrophobicContact CE3-CB 4.42Å; W892-V896 HydrophobicContact CE3-CG2 3.75Å; W892-V896 HydrophobicContact CZ3-CG2 4.29Å; W892-V896 WeakPolarHBondContact O-CG2 3.49Å; W892-V896 PolarHBondContact O-N 3.46Å; V896-G898 PolarHBondContact O-N 3.45Å; V896-V900 WeakPolarHBondContact O-CB 3.44Å; V896-V900 PolarHBondContact O-N 2.93Å; V896-K904 HydrophobicContact CG1-CG 4.37Å; V896-K904 WeakPolarHBondContact O-CE 3.13Å; V896-V916 HydrophobicContact CG2-CG1 3.68Å; V896-V918 HydrophobicContact CB-CG2 4.48Å; V896-V918 HydrophobicContact CG1-CG1 3.96Å; V896-V918 HydrophobicContact CG1-CG2 3.86Å; V896-V918 HydrophobicContact CG2-CG2 3.86Å
897	G	94.7	Very high	92.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-41.3	-176.1	0	0	0	0	0	114.4	R720 N743 S745 Q893 D894 Q895 K904	R720-G897 WeakPolarHBondContact CB-O 3.42Å; N743-G897 WeakPolarHBondContact ND2-CA 3.5Å; N743-G897 PolarHBondContact ND2-N 3.48Å; N743-G897 WeakPolarHBondContact OD1-CA 3.32Å; S745-G897 PolarHBondContact OG-O 3.4Å; Q893-G897 WeakPolarHBondContact O-CA 3.37Å; Q893-G897 PolarHBondContact O-N 3.1Å; D894-G897 PolarHBondContact O-N 3.48Å; Q895-G897 VanDerWaalsContact C-N 3.25Å; Q895-G897 PolarHBondContact O-N 3.14Å; G897-K904 WeakPolarHBondContact O-CE 3.2Å; G897-K904 PolarHBondContact O-NZ 2.94Å
898	G	94.2	Very high	93.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-101	-24.2	-176.3	0	0	0	0	0	115.7	P718 D894 V896	P718-G898 WeakPolarHBondContact CD-O 3.38Å; D894-G898 PolarHBondContact O-N 3.42Å; V896-G898 PolarHBondContact O-N 3.45Å
899	L	96.3	Very high	94.1	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-86.1	-30.9	-178.6	-57.6	178.4	0	0	0	112.7	T872 L875 I876 V879 Q895 I1076	T872-L899 HydrophobicContact CG2-CB 4.04Å; L875-L899 HydrophobicContact CB-CD1 4.35Å; L875-L899 HydrophobicContact CD2-CD1 3.91Å; L875-L899 HydrophobicContact CD2-CD2 4.12Å; L875-L899 HydrophobicContact CG-CD1 3.86Å; I876-L899 HydrophobicContact CG1-CD1 4.14Å; V879-L899 HydrophobicContact CG2-CD1 4.43Å; Q895-L899 HydrophobicContact CB-CD1 3.97Å; Q895-L899 HydrophobicContact CB-CG 4.48Å; Q895-L899 WeakPolarHBondContact O-CB 3.46Å; Q895-L899 WeakPolarHBondContact O-CG 3.31Å; Q895-L899 PolarHBondContact O-N 3.18Å; L899-I1076 HydrophobicContact CD2-CB 4.2Å; L899-I1076 HydrophobicContact CD2-CD1 3.94Å; L899-I1076 WeakPolarHBondContact O-CG2 3.5Å; L899-I1076 PolarHBondContact O-N 3.23Å
900	V	96.9	Very high	94.9	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.036	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-97.6	133.4	178.7	-173	0	0	0	0	108.9	S745 T872 I876 V896 K904 V918 R920	S745-V900 PolarHBondContact OG-O 3.35Å; T872-V900 HydrophobicContact CG2-CG2 3.79Å; I876-V900 HydrophobicContact CD1-CG2 3.9Å; V896-V900 WeakPolarHBondContact O-CB 3.44Å; V896-V900 PolarHBondContact O-N 2.93Å; V900-K904 HydrophobicContact CB-CD 3.83Å; V900-K904 HydrophobicContact CG1-CD 3.86Å; V900-K904 WeakPolarHBondContact O-CE 3.42Å; V900-K904 PolarHBondContact O-NZ 3.36Å; V900-V918 HydrophobicContact CB-CG1 4.5Å; V900-V918 HydrophobicContact CG1-CG1 4.14Å; V900-V918 HydrophobicContact CG2-CG1 4.21Å; V900-R920 HydrophobicContact CG1-CG 3.76Å; V900-R920 VanDerWaalsContact CG1-NE 3.28Å
901	G	95	Very high	95.4	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.031	11%	0.109	C	C	.	.			trans	-74.8	161.8	178.2	0	0	0	0	0	114.5	D1072 G1075	G901-D1072 CarbonylContact C-O 3.59Å; G901-G1075 VanDerWaalsContact CA-N 3.32Å
902	G	95.5	Very high	95.4	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.031	11%	0.113	C	C	.	.	S	Bend	trans	75	-161.7	170.1	0	0	0	0	0	114.7	V744 S745 K904 D1072	V744-G902 WeakPolarHBondContact CA-O 3.34Å; S745-G902 PolarHBondContact N-O 3.5Å; G902-K904 PolarHBondContact O-NZ 2.85Å; G902-D1072 PolarHBondContact N-O 3.04Å
903	V	97.1	Very high	95.3	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.7	169.3	-169.3	0	0	0	0	108.1	L723 V744 L921 P923 L928 L931 C982	L723-V903 HydrophobicContact CD1-CG1 4.31Å; V744-V903 HydrophobicContact CB-CG2 4.48Å; V744-V903 HydrophobicContact CG2-CG2 3.92Å; V903-L921 HydrophobicContact CG1-CD1 4.04Å; V903-L921 WeakPolarHBondContact O-CB 3.37Å; V903-L921 PolarHBondContact O-N 3.12Å; V903-P923 HydrophobicContact CB-CG 4.16Å; V903-P923 HydrophobicContact CG2-CG 4.17Å; V903-L928 HydrophobicContact CG2-CD2 4.21Å; V903-L931 HydrophobicContact CG2-CD2 4.5Å; V903-C982 HydrophobicContact CG1-CB 4.09Å
904	K	97.5	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.1	-176.2	59.7	-125.4	-178.2	-96.6	0	111.7	T742 N743 S745 V896 G897 V900 G902 V918 E919	T742-K904 CarbonylContact C-O 3.54Å; T742-K904 WeakPolarHBondContact CA-O 3.2Å; N743-K904 PolarHBondContact N-O 3.39Å; N743-K904 PolarHBondContact O-N 2.98Å; N743-K904 WeakPolarHBondContact OD1-CE 3.27Å; N743-K904 WeakPolarHBondContact OD1-CG 3.36Å; N743-K904 PolarHBondContact OD1-NZ 3.02Å; S745-K904 PolarHBondContact OG-NZ 2.63Å; V896-K904 HydrophobicContact CG1-CG 4.37Å; V896-K904 WeakPolarHBondContact O-CE 3.13Å; G897-K904 WeakPolarHBondContact O-CE 3.2Å; G897-K904 PolarHBondContact O-NZ 2.94Å; V900-K904 HydrophobicContact CB-CD 3.83Å; V900-K904 HydrophobicContact CG1-CD 3.86Å; V900-K904 WeakPolarHBondContact O-CE 3.42Å; V900-K904 PolarHBondContact O-NZ 3.36Å; G902-K904 PolarHBondContact O-NZ 2.85Å; K904-V918 HydrophobicContact CB-CG1 4.26Å; K904-V918 HydrophobicContact CG-CG1 4.47Å; K904-E919 VanDerWaalsContact CA-O 3.28Å; K904-E919 WeakPolarHBondContact CA-O 3.35Å; K904-E919 VanDerWaalsContact CB-O 3.31Å; K904-E919 WeakPolarHBondContact CB-O 3.47Å
905	V	98.1	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.1	170.7	58.3	0	0	0	0	108.7	V741 R907 E919 L921 A979	V741-V905 WeakPolarHBondContact O-CA 3.38Å; V905-R907 HydrophobicContact CG2-CG 4.2Å; V905-E919 HydrophobicContact CG1-CB 3.8Å; V905-E919 HydrophobicContact CG1-CG 4.37Å; V905-E919 PolarHBondContact N-O 2.74Å; V905-E919 PolarHBondContact O-N 3.45Å; V905-L921 HydrophobicContact CG1-CD2 4.01Å; V905-A979 HydrophobicContact CB-CB 4.3Å; V905-A979 HydrophobicContact CG1-CB 4.47Å
906	G	98.1	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	144.6	168.4	0	0	0	0	0	109.8	S740 V741 W892 E917	S740-G906 WeakPolarHBondContact CA-O 3.11Å; V741-G906 PolarHBondContact N-O 3.42Å; V741-G906 PolarHBondContact O-N 2.93Å; W892-G906 WeakPolarHBondContact CH2-O 3.39Å; G906-E917 CarbonylContact C-O 3.49Å; G906-E917 WeakPolarHBondContact CA-O 3.26Å
907	R	98.1	Very high	95.3	Very high	68 Å²	68	28 Å²	28	26%	0.257	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.8	178.8	-61	-171.9	-176.8	93	-4.9	111.7	G739 V905 V916 E917 E919 E976	G739-R907 CarbonylContact O-C 3.56Å; G739-R907 VanDerWaalsContact O-CA 3.3Å; G739-R907 WeakPolarHBondContact O-CA 2.95Å; V905-R907 HydrophobicContact CG2-CG 4.2Å; R907-V916 WeakPolarHBondContact O-CA 3.23Å; R907-E917 PolarHBondContact N-O 3.07Å; R907-E917 PolarHBondContact O-N 3.06Å; R907-E919 IonicContact CZ-OE2 2.68Å; R907-E919 IonicContact NH1-OE2 2.84Å; R907-E919 PolarHBondContact NH1-OE2 2.87Å; R907-E919 IonicContact NH2-OE2 3.95Å; R907-E919 PolarHBondContact NH2-OE2 2.7Å; R907-E976 IonicContact CZ-OE1 3.7Å; R907-E976 IonicContact CZ-OE2 3.63Å; R907-E976 IonicContact NE-OE1 2.72Å; R907-E976 PolarHBondContact NE-OE1 3.32Å; R907-E976 IonicContact NE-OE2 3.91Å; R907-E976 PolarHBondContact NE-OE2 2.85Å; R907-E976 IonicContact NH2-OE1 3.2Å; R907-E976 IonicContact NH2-OE2 2.67Å; R907-E976 PolarHBondContact NH2-OE2 3.11Å
908	S	97.3	Very high	95.4	Very high	11 Å²	11	30.3 Å²	30.3	8%	0.077	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.8	167.7	66.8	0	0	0	0	110.6	A734 G738 G739 Q915	A734-S908 PolarHBondContact O-OG 3.21Å; G738-S908 WeakPolarHBondContact CA-O 3.44Å; G739-S908 PolarHBondContact N-O 2.72Å; G739-S908 VanDerWaalsContact N-O 3.12Å; G739-S908 PolarHBondContact N-OG 3.35Å; G739-S908 VanDerWaalsContact N-OG 3.07Å; G739-S908 PolarHBondContact O-N 2.76Å; S908-Q915 WeakPolarHBondContact CB-O 3.26Å
909	R	95.5	Very high	95.6	Very high	166 Å²	166	34.6 Å²	34.6	63%	0.626	18%	0.178	S	C	*	.			trans	-86.1	158.6	174.2	-61	-176.1	-168.5	-177.1	6.6	110.7	S911 E917	R909-S911 PolarHBondContact O-N 2.61Å; R909-E917 IonicContact CZ-OE1 3.8Å; R909-E917 IonicContact NE-OE1 3.7Å; R909-E917 IonicContact NH2-OE1 3.61Å; R909-E917 PolarHBondContact NH2-OE1 3.26Å
910	A	93.3	Very high	95.6	Very high	62 Å²	62	41.3 Å²	41.3	51%	0.512	20%	0.203	S	C	.	.	S	Bend	trans	-70.8	61.3	171	0	0	0	0	0	111.6	F735	F735-A910 CarbonylContact O-C 3.36Å; F735-A910 VanDerWaalsContact O-CA 3.27Å; F735-A910 WeakPolarHBondContact O-CA 3.44Å
911	S	91.1	Very high	95.6	Very high	53 Å²	53	41.6 Å²	41.6	37%	0.371	20%	0.204	S	C	.	.			trans	-151.7	150.5	-176.6	59.7	0	0	0	0	111.9	F735 R909	F735-S911 PolarHBondContact O-N 3.4Å; F735-S911 VanDerWaalsContact O-N 3.07Å; R909-S911 PolarHBondContact O-N 2.61Å
912	L	89.3	Confident	95.5	Very high	30 Å²	30	46.9 Å²	46.9	16%	0.157	24%	0.241	C	C	.	.	S	Bend	trans	-103.8	155.9	163.7	-73.7	171.4	0	0	0	110.3	G603 A691 F735 L914	G603-L912 WeakPolarHBondContact O-CD1 3.43Å; A691-L912 HydrophobicContact CB-CD1 3.85Å; A691-L912 HydrophobicContact CB-CD2 4.19Å; F735-L912 HydrophobicContact CB-CD2 3.88Å; F735-L912 HydrophobicContact CB-CG 4.18Å; F735-L912 HydrophobicContact CD1-CD2 3.8Å; F735-L912 HydrophobicContact CD2-CD1 4.26Å; F735-L912 HydrophobicContact CD2-CD2 4.16Å; F735-L912 HydrophobicContact CD2-CG 4.06Å; F735-L912 HydrophobicContact CE1-CD2 4.31Å; F735-L912 HydrophobicContact CE2-CD1 4.38Å; F735-L912 HydrophobicContact CG-CD2 3.7Å; F735-L912 HydrophobicContact CG-CG 4.05Å; L912-L914 HydrophobicContact CD2-CB 4.37Å
913	P	92.4	Very high	95.5	Very high	26 Å²	26	47.4 Å²	47.4	17%	0.169	24%	0.243	C	C	.	.	S	Bend	cis	-55.5	142.9	-19	-32.9	34.5	0	0	0	114.6	S694 R697 F698 Q915	S694-P913 VanDerWaalsContact OG-CA 3.31Å; S694-P913 WeakPolarHBondContact OG-CA 3.5Å; S694-P913 WeakPolarHBondContact OG-CB 3.45Å; S694-P913 WeakPolarHBondContact OG-CG 3.28Å; R697-P913 HydrophobicContact CG-CB 4.37Å; R697-P913 VanDerWaalsContact CZ-CB 3.46Å; R697-P913 VanDerWaalsContact NE-CB 3.32Å; R697-P913 VanDerWaalsContact NH1-CD 3.33Å; F698-P913 HydrophobicContact CE2-CB 3.93Å; F698-P913 HydrophobicContact CZ-CB 4.42Å; P913-Q915 PolarHBondContact O-N 3.31Å
914	L	93	Very high	95.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.			trans	-65.9	112.1	-176.6	175.4	57.7	0	0	0	110.3	S695 F698 P731 A734 F735 L880 L912	S695-L914 WeakPolarHBondContact CB-O 3.37Å; F698-L914 WeakPolarHBondContact CE2-O 3.19Å; P731-L914 HydrophobicContact CG-CD2 4.15Å; A734-L914 HydrophobicContact CB-CD1 4.11Å; A734-L914 HydrophobicContact CB-CD2 4.28Å; F735-L914 HydrophobicContact CB-CD1 4.3Å; L880-L914 HydrophobicContact CD2-CD2 3.98Å; L880-L914 HydrophobicContact CD2-CG 4.26Å; L912-L914 HydrophobicContact CD2-CB 4.37Å
915	Q	95.4	Very high	95.3	Very high	75 Å²	75	56.5 Å²	56.5	35%	0.35	29%	0.291	S	S	.	.			trans	-108.3	135.9	175.6	-164.2	173.8	1.9	0	0	109.9	F698 S908 P913	F698-Q915 HydrophobicContact CD1-CG 4.21Å; F698-Q915 HydrophobicContact CD2-CB 4.29Å; F698-Q915 HydrophobicContact CD2-CG 4.28Å; F698-Q915 HydrophobicContact CE1-CB 4.19Å; F698-Q915 HydrophobicContact CE1-CG 3.87Å; F698-Q915 HydrophobicContact CE2-CB 3.6Å; F698-Q915 HydrophobicContact CE2-CG 3.96Å; F698-Q915 HydrophobicContact CG-CG 4.37Å; F698-Q915 HydrophobicContact CZ-CB 3.5Å; F698-Q915 VanDerWaalsContact CZ-CB 3.5Å; F698-Q915 HydrophobicContact CZ-CG 3.69Å; S908-Q915 WeakPolarHBondContact CB-O 3.26Å; P913-Q915 PolarHBondContact O-N 3.31Å
916	V	96.4	Very high	95.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.3	175.4	-174.1	0	0	0	0	108.3	I876 H877 W892 V896 R907 V918	I876-V916 HydrophobicContact CG2-CB 4.22Å; I876-V916 HydrophobicContact CG2-CG1 4.35Å; I876-V916 HydrophobicContact CG2-CG2 4.46Å; H877-V916 PolarHBondContact NE2-N 3.11Å; W892-V916 HydrophobicContact CB-CG2 3.76Å; W892-V916 HydrophobicContact CD2-CG1 3.9Å; W892-V916 HydrophobicContact CD2-CG2 3.94Å; W892-V916 HydrophobicContact CE3-CG1 3.75Å; W892-V916 HydrophobicContact CG-CG1 4.31Å; W892-V916 HydrophobicContact CG-CG2 3.53Å; W892-V916 HydrophobicContact CZ3-CG1 4.3Å; V896-V916 HydrophobicContact CG2-CG1 3.68Å; R907-V916 WeakPolarHBondContact O-CA 3.23Å; V916-V918 HydrophobicContact CG1-CG2 4.21Å
917	E	96.4	Very high	95.1	Very high	83 Å²	83	65 Å²	65	39%	0.388	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.3	174	-65.7	174.9	-177	0	0	108.4	G906 R907 R909	G906-E917 CarbonylContact C-O 3.49Å; G906-E917 WeakPolarHBondContact CA-O 3.26Å; R907-E917 PolarHBondContact N-O 3.07Å; R907-E917 PolarHBondContact O-N 3.06Å; R909-E917 IonicContact CZ-OE1 3.8Å; R909-E917 IonicContact NE-OE1 3.7Å; R909-E917 IonicContact NH2-OE1 3.61Å; R909-E917 PolarHBondContact NH2-OE1 3.26Å
918	V	97.6	Very high	95	Very high	47 Å²	47	62.5 Å²	62.5	29%	0.285	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.6	-178.6	-172.4	0	0	0	0	111.1	I876 V896 V900 K904 V916	I876-V918 HydrophobicContact CD1-CG2 3.96Å; V896-V918 HydrophobicContact CB-CG2 4.48Å; V896-V918 HydrophobicContact CG1-CG1 3.96Å; V896-V918 HydrophobicContact CG1-CG2 3.86Å; V896-V918 HydrophobicContact CG2-CG2 3.86Å; V900-V918 HydrophobicContact CB-CG1 4.5Å; V900-V918 HydrophobicContact CG1-CG1 4.14Å; V900-V918 HydrophobicContact CG2-CG1 4.21Å; K904-V918 HydrophobicContact CB-CG1 4.26Å; K904-V918 HydrophobicContact CG-CG1 4.47Å; V916-V918 HydrophobicContact CG1-CG2 4.21Å
919	E	97	Very high	94.9	Very high	91 Å²	91	65 Å²	65	43%	0.425	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.2	172.5	-178.8	-168.7	167.2	0	0	109.5	K904 V905 R907 L921	K904-E919 VanDerWaalsContact CA-O 3.28Å; K904-E919 WeakPolarHBondContact CA-O 3.35Å; K904-E919 VanDerWaalsContact CB-O 3.31Å; K904-E919 WeakPolarHBondContact CB-O 3.47Å; V905-E919 HydrophobicContact CG1-CB 3.8Å; V905-E919 HydrophobicContact CG1-CG 4.37Å; V905-E919 PolarHBondContact N-O 2.74Å; V905-E919 PolarHBondContact O-N 3.45Å; R907-E919 IonicContact CZ-OE2 2.68Å; R907-E919 IonicContact NH1-OE2 2.84Å; R907-E919 PolarHBondContact NH1-OE2 2.87Å; R907-E919 IonicContact NH2-OE2 3.95Å; R907-E919 PolarHBondContact NH2-OE2 2.7Å; E919-L921 HydrophobicContact CG-CD2 4.33Å
920	R	96.4	Very high	95	Very high	141 Å²	141	58.7 Å²	58.7	53%	0.532	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.9	170.4	-65.8	-176.4	-170	-173.5	-1.8	109	V900	V900-R920 HydrophobicContact CG1-CG 3.76Å; V900-R920 VanDerWaalsContact CG1-NE 3.28Å
921	L	96.1	Very high	95.1	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.063	29%	0.294	C	S	.	.			trans	-78.3	152.3	177.1	-56.1	-176.7	0	0	0	109.3	V903 V905 E919 P923 A979 C982	V903-L921 HydrophobicContact CG1-CD1 4.04Å; V903-L921 WeakPolarHBondContact O-CB 3.37Å; V903-L921 PolarHBondContact O-N 3.12Å; V905-L921 HydrophobicContact CG1-CD2 4.01Å; E919-L921 HydrophobicContact CG-CD2 4.33Å; L921-P923 HydrophobicContact CB-CG 4.41Å; L921-P923 VanDerWaalsContact O-CD 3.27Å; L921-P923 WeakPolarHBondContact O-CD 3.31Å; L921-A979 HydrophobicContact CD1-CB 3.89Å; L921-C982 HydrophobicContact CD1-CB 4.19Å
922	S	94.1	Very high	95.3	Very high	114 Å²	114	56.8 Å²	56.8	80%	0.797	29%	0.293	S	S	*	.			trans	-114.9	71.4	172.7	-58.1	0	0	0	0	110.9
923	P	94.8	Very high	95.6	Very high	14 Å²	14	58.3 Å²	58.3	9%	0.091	30%	0.299	C	S	.	.			trans	-62	155.7	176.6	-21.2	34	0	0	0	112.4	V903 L921 F927 L928 C982	V903-P923 HydrophobicContact CB-CG 4.16Å; V903-P923 HydrophobicContact CG2-CG 4.17Å; L921-P923 HydrophobicContact CB-CG 4.41Å; L921-P923 VanDerWaalsContact O-CD 3.27Å; L921-P923 WeakPolarHBondContact O-CD 3.31Å; P923-F927 HydrophobicContact CB-CD1 3.62Å; P923-F927 HydrophobicContact CB-CE1 4.21Å; P923-F927 HydrophobicContact CG-CD1 4.42Å; P923-L928 HydrophobicContact CB-CD2 3.9Å; P923-L928 HydrophobicContact CB-CG 4.28Å; P923-L928 HydrophobicContact CG-CD2 3.94Å; P923-C982 WeakPolarHBondContact CB-O 3.35Å; P923-C982 HydrophobicContact CG-CB 4.47Å
924	P	96.4	Very high	95.8	Very high	59 Å²	59	57.8 Å²	57.8	38%	0.383	29%	0.294	S	S	.	.			trans	-56.7	141.4	172.1	-23.4	33.4	0	0	0	111.9	E926 F927 L928	P924-E926 VanDerWaalsContact C-N 3.25Å; P924-E926 PolarHBondContact O-N 2.88Å; P924-F927 HydrophobicContact CB-CB 4.33Å; P924-F927 WeakPolarHBondContact O-CA 3.46Å; P924-F927 VanDerWaalsContact O-CB 3.3Å; P924-F927 WeakPolarHBondContact O-CB 3.36Å; P924-F927 PolarHBondContact O-N 3.48Å; P924-L928 PolarHBondContact O-N 3.17Å; P924-L928 VanDerWaalsContact O-N 3.15Å
925	Q	95.2	Very high	96	Very high	135 Å²	135	57.9 Å²	57.9	63%	0.631	30%	0.295	S	S	*	.	H	α-helix	trans	-57.9	-38.3	-178.3	-171.8	62.4	30.3	0	0	112.7	F927 L928 V929	Q925-F927 PolarHBondContact O-N 3.16Å; Q925-L928 PolarHBondContact O-N 2.9Å; Q925-V929 WeakPolarHBondContact O-CG2 3.24Å; Q925-V929 PolarHBondContact O-N 2.96Å; Q925-V929 VanDerWaalsContact O-N 3.08Å
926	E	95.4	Very high	96	Very high	171 Å²	171	54.8 Å²	54.8	80%	0.799	28%	0.281	S	S	*	.	H	α-helix	trans	-60.3	-35.8	175.2	-64.1	-178.8	-178.1	0	0	112.2	P924 S930	P924-E926 VanDerWaalsContact C-N 3.25Å; P924-E926 PolarHBondContact O-N 2.88Å; E926-S930 VanDerWaalsContact O-CB 3.28Å; E926-S930 WeakPolarHBondContact O-CB 3.33Å; E926-S930 PolarHBondContact O-N 3.14Å
927	F	96.3	Very high	96	Very high	8 Å²	8	54.8 Å²	54.8	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-40.6	176.1	174.9	-98.7	0	0	0	111.8	P923 P924 Q925 S930 L931 C982 G985 L987 L990	P923-F927 HydrophobicContact CB-CD1 3.62Å; P923-F927 HydrophobicContact CB-CE1 4.21Å; P923-F927 HydrophobicContact CG-CD1 4.42Å; P924-F927 HydrophobicContact CB-CB 4.33Å; P924-F927 WeakPolarHBondContact O-CA 3.46Å; P924-F927 VanDerWaalsContact O-CB 3.3Å; P924-F927 WeakPolarHBondContact O-CB 3.36Å; P924-F927 PolarHBondContact O-N 3.48Å; Q925-F927 PolarHBondContact O-N 3.16Å; F927-S930 PolarHBondContact O-N 2.81Å; F927-L931 HydrophobicContact CE1-CD2 4.22Å; F927-L931 VanDerWaalsContact O-CB 3.3Å; F927-L931 WeakPolarHBondContact O-CB 3.28Å; F927-L931 PolarHBondContact O-N 3.13Å; F927-C982 HydrophobicContact CE1-CB 4.12Å; F927-C982 HydrophobicContact CZ-CB 4.4Å; F927-G985 VanDerWaalsContact CD2-CA 3.41Å; F927-G985 WeakPolarHBondContact CD2-O 3.39Å; F927-L987 HydrophobicContact CE2-CB 4.48Å; F927-L987 HydrophobicContact CE2-CD1 4.03Å; F927-L990 HydrophobicContact CZ-CD2 4.02Å
928	L	95.9	Very high	95.9	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-46.3	176.8	-62.2	176.9	0	0	0	111.3	V903 P923 P924 Q925 S930 L931 E932 L1071 M1073	V903-L928 HydrophobicContact CG2-CD2 4.21Å; P923-L928 HydrophobicContact CB-CD2 3.9Å; P923-L928 HydrophobicContact CB-CG 4.28Å; P923-L928 HydrophobicContact CG-CD2 3.94Å; P924-L928 PolarHBondContact O-N 3.17Å; P924-L928 VanDerWaalsContact O-N 3.15Å; Q925-L928 PolarHBondContact O-N 2.9Å; L928-S930 VanDerWaalsContact C-N 3.33Å; L928-S930 PolarHBondContact O-N 2.87Å; L928-L931 PolarHBondContact O-N 3.41Å; L928-E932 PolarHBondContact O-N 2.84Å; L928-L1071 HydrophobicContact CB-CD1 4.03Å; L928-L1071 HydrophobicContact CD2-CD1 3.83Å; L928-M1073 HydrophobicContact CD1-CE 4.41Å
929	V	95.8	Very high	95.7	Very high	62 Å²	62	50.7 Å²	50.7	38%	0.376	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-42.9	175.7	173.9	0	0	0	0	111.1	Q925 Q933	Q925-V929 WeakPolarHBondContact O-CG2 3.24Å; Q925-V929 PolarHBondContact O-N 2.96Å; Q925-V929 VanDerWaalsContact O-N 3.08Å; V929-Q933 VanDerWaalsContact O-CG 3.3Å; V929-Q933 WeakPolarHBondContact O-CG 3.24Å; V929-Q933 PolarHBondContact O-N 2.87Å
930	S	95.9	Very high	95.2	Very high	35 Å²	35	46.9 Å²	46.9	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-44.4	176.7	-172.1	0	0	0	0	111.3	E926 F927 L928 E932 Q933 H934	E926-S930 VanDerWaalsContact O-CB 3.28Å; E926-S930 WeakPolarHBondContact O-CB 3.33Å; E926-S930 PolarHBondContact O-N 3.14Å; F927-S930 PolarHBondContact O-N 2.81Å; L928-S930 VanDerWaalsContact C-N 3.33Å; L928-S930 PolarHBondContact O-N 2.87Å; S930-E932 PolarHBondContact O-N 2.96Å; S930-Q933 PolarHBondContact O-N 2.9Å; S930-Q933 VanDerWaalsContact O-N 3.13Å; S930-H934 PolarHBondContact O-N 2.87Å; S930-H934 VanDerWaalsContact O-N 3.12Å; S930-H934 PolarHBondContact O-ND1 3.15Å; S930-H934 PolarHBondContact OG-CE1 2.84Å
931	L	95.6	Very high	94.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-47.5	179.1	-178.2	59.1	0	0	0	111.4	V903 F927 L928 Q933 H934 L935 L987 L990 L1041 L1071	V903-L931 HydrophobicContact CG2-CD2 4.5Å; F927-L931 HydrophobicContact CE1-CD2 4.22Å; F927-L931 VanDerWaalsContact O-CB 3.3Å; F927-L931 WeakPolarHBondContact O-CB 3.28Å; F927-L931 PolarHBondContact O-N 3.13Å; L928-L931 PolarHBondContact O-N 3.41Å; L931-Q933 VanDerWaalsContact C-N 3.31Å; L931-Q933 PolarHBondContact O-N 3.26Å; L931-H934 PolarHBondContact O-N 3.28Å; L931-L935 HydrophobicContact CD1-CD2 4.49Å; L931-L935 WeakPolarHBondContact O-CB 3.36Å; L931-L935 PolarHBondContact O-N 3.2Å; L931-L987 HydrophobicContact CD1-CD1 4.13Å; L931-L990 HydrophobicContact CD1-CD2 3.73Å; L931-L1041 HydrophobicContact CD1-CD1 3.72Å; L931-L1071 HydrophobicContact CD2-CD1 4.18Å; L931-L1071 HydrophobicContact CD2-CD2 4.15Å
932	E	95.3	Very high	93.2	Very high	73 Å²	73	45.9 Å²	45.9	34%	0.341	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-41.8	174.8	-73.6	-177.1	162.8	0	0	112.7	L928 S930 H934 L1071	L928-E932 PolarHBondContact O-N 2.84Å; S930-E932 PolarHBondContact O-N 2.96Å; E932-H934 PolarHBondContact O-N 3.21Å; E932-L1071 HydrophobicContact CG-CB 4.2Å; E932-L1071 HydrophobicContact CG-CD1 3.91Å; E932-L1071 HydrophobicContact CG-CG 3.57Å; E932-L1071 WeakPolarHBondContact OE1-CB 3.17Å; E932-L1071 PolarHBondContact OE1-N 3Å
933	Q	96.2	Very high	91.9	Very high	62 Å²	62	44.4 Å²	44.4	29%	0.29	23%	0.234	S	C	.	.	H	α-helix	trans	-68.8	-23.6	-179.2	-70.4	177.4	9.5	0	0	113.2	V929 S930 L931 P1045 R1046	V929-Q933 VanDerWaalsContact O-CG 3.3Å; V929-Q933 WeakPolarHBondContact O-CG 3.24Å; V929-Q933 PolarHBondContact O-N 2.87Å; S930-Q933 PolarHBondContact O-N 2.9Å; S930-Q933 VanDerWaalsContact O-N 3.13Å; L931-Q933 VanDerWaalsContact C-N 3.31Å; L931-Q933 PolarHBondContact O-N 3.26Å; Q933-P1045 HydrophobicContact CB-CB 3.82Å; Q933-R1046 HydrophobicContact CB-CG 4.47Å; Q933-R1046 PolarHBondContact O-N 3.46Å
934	H	96.9	Very high	90.6	Very high	15 Å²	15	49 Å²	49	7%	0.069	25%	0.249	C	C	.	.	H	α-helix	trans	-105	-13.4	-177.2	-64.6	80.8	0	0	0	113.5	S930 L931 E932 L987 L1041 T1042 E1044 P1045	S930-H934 PolarHBondContact O-N 2.87Å; S930-H934 VanDerWaalsContact O-N 3.12Å; S930-H934 PolarHBondContact O-ND1 3.15Å; S930-H934 PolarHBondContact OG-CE1 2.84Å; L931-H934 PolarHBondContact O-N 3.28Å; E932-H934 PolarHBondContact O-N 3.21Å; H934-L987 HydrophobicContact CB-CD2 4.05Å; H934-L1041 HydrophobicContact CB-CD1 4.03Å; H934-T1042 VanDerWaalsContact CA-OG1 3.31Å; H934-T1042 WeakPolarHBondContact CA-OG1 3.49Å; H934-T1042 PolarHBondContact CD2-O 3Å; H934-T1042 VanDerWaalsContact CD2-O 3.25Å; H934-T1042 PolarHBondContact O-N 3.03Å; H934-T1042 PolarHBondContact O-OG1 2.79Å; H934-T1042 VanDerWaalsContact O-OG1 3.1Å; H934-E1044 PolarHBondContact CD2-O 2.87Å; H934-P1045 WeakPolarHBondContact NE2-CD 3.21Å
935	L	96.5	Very high	88.8	Confident	3 Å²	3	53 Å²	53	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.8	-174.9	-168.6	60.8	0	0	0	110.9	L721 V746 L931 L1040 V1069	L721-L935 HydrophobicContact CD1-CD1 4.26Å; L721-L935 HydrophobicContact CD1-CD2 3.86Å; L721-L935 HydrophobicContact CD1-CG 4.24Å; V746-L935 HydrophobicContact CG1-CD2 4.5Å; L931-L935 HydrophobicContact CD1-CD2 4.49Å; L931-L935 WeakPolarHBondContact O-CB 3.36Å; L931-L935 PolarHBondContact O-N 3.2Å; L935-L1040 WeakPolarHBondContact CA-O 3.38Å; L935-V1069 HydrophobicContact CB-CB 4.39Å; L935-V1069 HydrophobicContact CD2-CB 4.36Å; L935-V1069 HydrophobicContact CD2-CG1 3.69Å; L935-V1069 HydrophobicContact CG-CB 4.14Å; L935-V1069 HydrophobicContact CG-CG1 3.97Å; L935-V1069 HydrophobicContact CG-CG2 4.35Å
936	L	96.9	Very high	87.2	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152.6	177.5	-66.5	174.7	0	0	0	111.2	Y1039 L1040 T1042 Q1048 V1051	L936-Y1039 VanDerWaalsContact O-CA 3.32Å; L936-Y1039 WeakPolarHBondContact O-CA 3.48Å; L936-L1040 HydrophobicContact CB-CB 4.47Å; L936-L1040 PolarHBondContact N-O 3.27Å; L936-L1040 PolarHBondContact O-N 3.03Å; L936-T1042 HydrophobicContact CD1-CG2 3.84Å; L936-T1042 HydrophobicContact CG-CG2 4.42Å; L936-Q1048 HydrophobicContact CD1-CB 4.22Å; L936-Q1048 HydrophobicContact CD2-CB 4.19Å; L936-Q1048 HydrophobicContact CD2-CG 4.5Å; L936-V1051 HydrophobicContact CD1-CG2 4.05Å
937	L	95.9	Very high	85.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	136.3	171.9	-79.4	170.9	0	0	0	110.6	L721 V748 L848 F1037 L1038 V1066 H1067 V1069	L721-L937 HydrophobicContact CD2-CD2 3.77Å; V748-L937 HydrophobicContact CG1-CD1 4.41Å; V748-L937 HydrophobicContact CG2-CD1 3.9Å; L848-L937 HydrophobicContact CD1-CD1 4.39Å; L848-L937 HydrophobicContact CD2-CD2 4.28Å; L937-F1037 HydrophobicContact CB-CD1 3.91Å; L937-F1037 HydrophobicContact CB-CE1 4.36Å; L937-F1037 HydrophobicContact CD2-CB 3.96Å; L937-F1037 HydrophobicContact CD2-CD1 4.19Å; L937-F1037 HydrophobicContact CD2-CG 4.35Å; L937-F1037 HydrophobicContact CG-CD1 4.45Å; L937-L1038 CarbonylContact C-O 3.6Å; L937-L1038 WeakPolarHBondContact CA-O 3.5Å; L937-V1066 CarbonylContact O-C 3.48Å; L937-V1066 WeakPolarHBondContact O-CA 3.5Å; L937-H1067 HydrophobicContact CB-CB 4.05Å; L937-H1067 PolarHBondContact N-O 3.1Å; L937-H1067 VanDerWaalsContact N-O 3.13Å; L937-H1067 PolarHBondContact O-N 3.19Å; L937-V1069 HydrophobicContact CB-CG2 4.09Å; L937-V1069 HydrophobicContact CD1-CG2 3.81Å; L937-V1069 HydrophobicContact CG-CG2 3.59Å
938	V	94.6	Very high	84.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.8	173.8	-176.9	0	0	0	0	108.7	M1016 F1037 L1038 L1040 V1051 L1055 S1065 V1066	V938-M1016 HydrophobicContact CG1-CE 4.26Å; V938-M1016 HydrophobicContact CG1-SD 3.82Å; V938-F1037 CarbonylContact O-C 3.57Å; V938-F1037 WeakPolarHBondContact O-CA 3.17Å; V938-L1038 HydrophobicContact CB-CB 4.3Å; V938-L1038 PolarHBondContact N-O 2.77Å; V938-L1038 PolarHBondContact O-N 3.06Å; V938-L1040 HydrophobicContact CG2-CD1 3.69Å; V938-L1040 HydrophobicContact CG2-CG 4.27Å; V938-V1051 HydrophobicContact CG2-CG1 4Å; V938-L1055 HydrophobicContact CG1-CD1 3.67Å; V938-L1055 HydrophobicContact CG2-CD1 4.36Å; V938-S1065 CarbonylContact C-O 3.49Å; V938-S1065 VanDerWaalsContact CA-O 3.29Å; V938-S1065 WeakPolarHBondContact CA-O 3.47Å; V938-V1066 HydrophobicContact CG2-CG1 4.38Å; V938-V1066 HydrophobicContact CG2-CG2 4.23Å
939	Y	91.8	Very high	83.7	Confident	44 Å²	44	49.2 Å²	49.2	17%	0.173	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.8	170.7	-176.1	-118.6	0	0	0	109.5	P843 G941 T943 F1037 F1064 S1065	P843-Y939 HydrophobicContact CG-CD2 4.32Å; P843-Y939 HydrophobicContact CG-CE2 3.7Å; Y939-G941 VanDerWaalsContact C-N 3.33Å; Y939-G941 PolarHBondContact O-N 3.39Å; Y939-T943 VanDerWaalsContact OH-CG2 3.23Å; Y939-T943 WeakPolarHBondContact OH-CG2 3.49Å; Y939-F1037 HydrophobicContact CD2-CD1 4.49Å; Y939-F1037 HydrophobicContact CD2-CD2 4.05Å; Y939-F1037 HydrophobicContact CD2-CE1 4.31Å; Y939-F1037 AromaticContact CD2-CE2 3.82Å; Y939-F1037 HydrophobicContact CD2-CE2 3.82Å; Y939-F1037 HydrophobicContact CD2-CG 4.38Å; Y939-F1037 AromaticContact CD2-CZ 3.97Å; Y939-F1037 HydrophobicContact CD2-CZ 3.97Å; Y939-F1037 HydrophobicContact CG-CE1 4.37Å; Y939-F1037 HydrophobicContact CG-CZ 4.27Å; Y939-F1064 VanDerWaalsContact O-CA 3.22Å; Y939-F1064 WeakPolarHBondContact O-CA 3.32Å; Y939-F1064 VanDerWaalsContact O-CB 3.23Å; Y939-F1064 WeakPolarHBondContact O-CB 3.41Å; Y939-S1065 WeakPolarHBondContact CB-OG 3.39Å; Y939-S1065 PolarHBondContact N-O 3.29Å; Y939-S1065 PolarHBondContact O-N 3.44Å
940	T	88.1	Confident	83.2	Confident	10 Å²	10	48 Å²	48	6%	0.061	25%	0.246	C	C	.	.			trans	-84.6	-1.7	-171.9	61.1	0	0	0	0	114.5	K942 V1013 M1016 L1029 G1036 L1038	T940-K942 PolarHBondContact O-N 2.6Å; T940-K942 VanDerWaalsContact O-N 3.13Å; T940-V1013 HydrophobicContact CG2-CG2 4.27Å; T940-M1016 HydrophobicContact CG2-SD 3.98Å; T940-L1029 HydrophobicContact CG2-CD1 4.11Å; T940-G1036 WeakPolarHBondContact CB-O 3.35Å; T940-G1036 VanDerWaalsContact CG2-O 3.31Å; T940-G1036 WeakPolarHBondContact CG2-O 3.25Å; T940-G1036 PolarHBondContact N-O 3.39Å; T940-G1036 PolarHBondContact OG1-N 2.88Å; T940-G1036 PolarHBondContact OG1-O 3.42Å; T940-L1038 HydrophobicContact CG2-CB 4.36Å
941	G	78.4	Confident	82.6	Confident	31 Å²	31	47 Å²	47	32%	0.32	24%	0.237	S	C	.	.	S	Bend	trans	72.8	-5.3	-175.2	0	0	0	0	0	114.8	Y939 D1063	Y939-G941 VanDerWaalsContact C-N 3.33Å; Y939-G941 PolarHBondContact O-N 3.39Å; G941-D1063 WeakPolarHBondContact CA-O 3.49Å; G941-D1063 PolarHBondContact N-O 2.86Å
942	K	72.1	Confident	82.2	Confident	101 Å²	101	49.7 Å²	49.7	44%	0.439	25%	0.252	S	S	.	.			trans	-112.8	132.8	179.3	-67.5	-169.1	176.2	177	0	110.2	T940 S1012 G1035 G1036	T940-K942 PolarHBondContact O-N 2.6Å; T940-K942 VanDerWaalsContact O-N 3.13Å; K942-S1012 WeakPolarHBondContact CD-OG 3.36Å; K942-S1012 VanDerWaalsContact CE-OG 3.32Å; K942-S1012 WeakPolarHBondContact CE-OG 3.41Å; K942-S1012 PolarHBondContact NZ-OG 3.26Å; K942-G1035 CarbonylContact O-C 3.56Å; K942-G1035 WeakPolarHBondContact O-CA 3.11Å; K942-G1036 PolarHBondContact O-N 3.12Å
943	T	66.6	Low	82	Confident	83 Å²	83	46.3 Å²	46.3	51%	0.509	24%	0.236	S	C	.	.			trans	-108.4	141.8	167.8	56	0	0	0	0	109.4	T844 Y939	T844-T943 WeakPolarHBondContact O-CG2 3.22Å; Y939-T943 VanDerWaalsContact OH-CG2 3.23Å; Y939-T943 WeakPolarHBondContact OH-CG2 3.49Å
944	R	66.2	Low	81.8	Confident	110 Å²	110	44.5 Å²	44.5	42%	0.415	23%	0.229	S	C	.	.			trans	-141.9	141.3	172.6	-166.4	175.8	-174.8	-173.1	-0.5	109.6	G1007 G1034	R944-G1007 PolarHBondContact NH1-O 2.73Å; R944-G1007 VanDerWaalsContact NH1-O 3.13Å; R944-G1034 WeakPolarHBondContact CB-O 3.33Å
945	L	59.1	Low	81.5	Confident	144 Å²	144	45.8 Å²	45.8	75%	0.754	23%	0.233	S	C	*	.			trans	-72.2	125.6	172.3	-88.6	136.1	0	0	0	110.7	R947	L945-R947 PolarHBondContact O-N 3.22Å
946	A	60.9	Low	81.3	Confident	47 Å²	47	46.7 Å²	46.7	39%	0.388	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.3	177.7	0	0	0	0	0	114.2	N948 L949 L950 A1032	A946-N948 VanDerWaalsContact C-N 3.29Å; A946-N948 PolarHBondContact O-N 3.42Å; A946-N948 VanDerWaalsContact O-N 3.15Å; A946-L949 PolarHBondContact O-N 3.28Å; A946-L949 VanDerWaalsContact O-N 3.11Å; A946-L950 PolarHBondContact O-N 3.07Å; A946-A1032 HydrophobicContact CB-CB 3.53Å
947	R	65.2	Low	81.2	Confident	120 Å²	120	46.4 Å²	46.4	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-56.2	-36.7	-168.8	-165	176.7	79.8	159.4	1.2	114.3	L945	L945-R947 PolarHBondContact O-N 3.22Å
948	N	69.1	Low	81.1	Confident	77 Å²	77	46.8 Å²	46.8	41%	0.412	24%	0.24	S	C	.	.	H	α-helix	trans	-73.4	-35.7	-177.7	-65.8	-6.9	0	0	0	111.9	A946	A946-N948 VanDerWaalsContact C-N 3.29Å; A946-N948 PolarHBondContact O-N 3.42Å; A946-N948 VanDerWaalsContact O-N 3.15Å
949	L	80	Confident	81	Confident	5 Å²	5	47 Å²	47	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-70.7	-38.7	179.2	-65.8	174.4	0	0	0	111.4	W727 A946 Q951 D952 V953 A1005 C1008 A1032	W727-L949 HydrophobicContact CH2-CB 4.46Å; W727-L949 HydrophobicContact CZ2-CB 4.48Å; A946-L949 PolarHBondContact O-N 3.28Å; A946-L949 VanDerWaalsContact O-N 3.11Å; L949-Q951 VanDerWaalsContact C-N 3.28Å; L949-Q951 PolarHBondContact O-N 2.76Å; L949-D952 PolarHBondContact O-N 3.3Å; L949-V953 WeakPolarHBondContact O-CG2 3.2Å; L949-V953 PolarHBondContact O-N 2.75Å; L949-V953 VanDerWaalsContact O-N 3.12Å; L949-A1005 HydrophobicContact CB-CB 4.17Å; L949-A1005 HydrophobicContact CD2-CB 4.28Å; L949-C1008 HydrophobicContact CD1-CB 4.2Å; L949-A1032 HydrophobicContact CD1-CB 4.3Å; L949-A1032 WeakPolarHBondContact CD1-O 3.33Å
950	L	84.9	Confident	81.2	Confident	36 Å²	36	45.3 Å²	45.3	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-41.2	176.7	172.9	62.4	0	0	0	112.1	W727 T730 A946 D952 V953 V954	W727-L950 HydrophobicContact CH2-CB 4.28Å; W727-L950 HydrophobicContact CZ3-CB 4.24Å; W727-L950 HydrophobicContact CZ3-CD1 3.8Å; T730-L950 HydrophobicContact CG2-CD1 3.31Å; A946-L950 PolarHBondContact O-N 3.07Å; L950-D952 PolarHBondContact O-N 3.02Å; L950-V953 PolarHBondContact O-N 2.81Å; L950-V954 HydrophobicContact CD1-CG2 3.95Å; L950-V954 HydrophobicContact CG-CG2 4.45Å; L950-V954 WeakPolarHBondContact O-CG2 3.27Å; L950-V954 PolarHBondContact O-N 3.42Å
951	Q	84.4	Confident	81.4	Confident	16 Å²	16	47.6 Å²	47.6	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-42	-179.9	-72.3	169.6	8.3	0	0	112.2	G633 L949 V954 R955	G633-Q951 VanDerWaalsContact CA-OE1 3.26Å; L949-Q951 VanDerWaalsContact C-N 3.28Å; L949-Q951 PolarHBondContact O-N 2.76Å; Q951-V954 PolarHBondContact O-N 2.85Å; Q951-R955 VanDerWaalsContact O-CB 3.24Å; Q951-R955 WeakPolarHBondContact O-CB 3.4Å; Q951-R955 PolarHBondContact O-N 2.96Å
952	D	86.6	Confident	82.1	Confident	57 Å²	57	50.4 Å²	50.4	31%	0.305	26%	0.259	S	S	.	.	H	α-helix	trans	-68.2	-36.8	179	-69.2	-26.7	0	0	0	111.6	L949 L950 R955 S956	L949-D952 PolarHBondContact O-N 3.3Å; L950-D952 PolarHBondContact O-N 3.02Å; D952-R955 IonicContact OD1-CZ 2.69Å; D952-R955 IonicContact OD1-NH1 3.85Å; D952-R955 PolarHBondContact OD1-NH1 3.36Å; D952-S956 VanDerWaalsContact O-CB 3.23Å; D952-S956 WeakPolarHBondContact O-CB 3.37Å; D952-S956 PolarHBondContact O-N 2.98Å; D952-S956 PolarHBondContact O-OG 3.13Å
953	V	91.4	Very high	83.2	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-53.8	172.8	171.9	0	0	0	0	110.6	W727 I733 L949 L950 R955 S956 W957 M1004 A1005	W727-V953 HydrophobicContact CD2-CG2 4.13Å; W727-V953 HydrophobicContact CE3-CB 4.36Å; W727-V953 HydrophobicContact CE3-CG1 4.05Å; W727-V953 HydrophobicContact CE3-CG2 3.98Å; W727-V953 HydrophobicContact CH2-CG2 4.06Å; W727-V953 HydrophobicContact CZ2-CG2 4.18Å; W727-V953 HydrophobicContact CZ3-CB 4.32Å; W727-V953 HydrophobicContact CZ3-CG1 4.45Å; W727-V953 HydrophobicContact CZ3-CG2 3.96Å; I733-V953 HydrophobicContact CD1-CG1 3.93Å; L949-V953 WeakPolarHBondContact O-CG2 3.2Å; L949-V953 PolarHBondContact O-N 2.75Å; L949-V953 VanDerWaalsContact O-N 3.12Å; L950-V953 PolarHBondContact O-N 2.81Å; V953-R955 PolarHBondContact O-N 3.3Å; V953-S956 PolarHBondContact O-N 2.86Å; V953-W957 WeakPolarHBondContact O-CB 3.34Å; V953-W957 PolarHBondContact O-N 3.43Å; V953-M1004 HydrophobicContact CG1-CE 3.71Å; V953-M1004 HydrophobicContact CG2-CB 4.26Å; V953-M1004 WeakPolarHBondContact CG2-O 3.3Å; V953-A1005 HydrophobicContact CG2-CB 4.08Å
954	V	91.4	Very high	84.5	Confident	24 Å²	24	45 Å²	45	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-43.2	-178.3	172.7	0	0	0	0	111.2	L950 Q951 W957 Y958	L950-V954 HydrophobicContact CD1-CG2 3.95Å; L950-V954 HydrophobicContact CG-CG2 4.45Å; L950-V954 WeakPolarHBondContact O-CG2 3.27Å; L950-V954 PolarHBondContact O-N 3.42Å; Q951-V954 PolarHBondContact O-N 2.85Å; V954-W957 PolarHBondContact O-N 3.03Å; V954-Y958 HydrophobicContact CG1-CD2 3.66Å; V954-Y958 HydrophobicContact CG1-CE2 3.48Å; V954-Y958 VanDerWaalsContact CG1-CE2 3.48Å; V954-Y958 PolarHBondContact O-N 2.92Å
955	R	91	Very high	85.9	Confident	41 Å²	41	40.9 Å²	40.9	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-51.2	176.2	-174.5	-174.1	-57.7	135.3	2.3	110.9	R631 E681 Q951 D952 V953 W957 Y958 S959	R631-R955 PolarHBondContact O-NH2 3.03Å; E681-R955 IonicContact OE1-CZ 2.61Å; E681-R955 IonicContact OE1-NE 2.87Å; E681-R955 PolarHBondContact OE1-NE 2.97Å; E681-R955 IonicContact OE1-NH2 2.74Å; E681-R955 PolarHBondContact OE1-NH2 3.05Å; E681-R955 IonicContact OE2-NH2 3.95Å; Q951-R955 VanDerWaalsContact O-CB 3.24Å; Q951-R955 WeakPolarHBondContact O-CB 3.4Å; Q951-R955 PolarHBondContact O-N 2.96Å; D952-R955 IonicContact OD1-CZ 2.69Å; D952-R955 IonicContact OD1-NH1 3.85Å; D952-R955 PolarHBondContact OD1-NH1 3.36Å; V953-R955 PolarHBondContact O-N 3.3Å; R955-W957 VanDerWaalsContact C-N 3.27Å; R955-W957 PolarHBondContact O-N 3.47Å; R955-Y958 PolarHBondContact O-N 2.85Å; R955-S959 PolarHBondContact O-N 2.75Å; R955-S959 PolarHBondContact O-OG 3.45Å
956	S	92.6	Very high	87.7	Confident	23 Å²	23	39.8 Å²	39.8	16%	0.161	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-33.5	-177.6	-56.6	0	0	0	0	112.3	D952 V953 R960 L961	D952-S956 VanDerWaalsContact O-CB 3.23Å; D952-S956 WeakPolarHBondContact O-CB 3.37Å; D952-S956 PolarHBondContact O-N 2.98Å; D952-S956 PolarHBondContact O-OG 3.13Å; V953-S956 PolarHBondContact O-N 2.86Å; S956-R960 PolarHBondContact O-N 3.28Å; S956-L961 PolarHBondContact O-N 2.85Å; S956-L961 VanDerWaalsContact O-N 3.1Å
957	W	95.1	Very high	89.4	Confident	3 Å²	3	37.7 Å²	37.7	1%	0.011	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-48.8	171.6	179	-99	0	0	0	112.4	P732 I733 E736 H737 V953 V954 R955 S959 R960 A968	P732-W957 VanDerWaalsContact CG-CD1 3.41Å; P732-W957 HydrophobicContact CG-CG 4.45Å; I733-W957 HydrophobicContact CB-CD2 4.44Å; I733-W957 HydrophobicContact CB-CZ2 4.49Å; I733-W957 HydrophobicContact CD1-CD2 4.38Å; I733-W957 HydrophobicContact CD1-CE3 4.39Å; I733-W957 HydrophobicContact CD1-CG 4.46Å; I733-W957 HydrophobicContact CG1-CB 4.27Å; I733-W957 HydrophobicContact CG1-CD2 3.52Å; I733-W957 HydrophobicContact CG1-CE3 3.86Å; I733-W957 HydrophobicContact CG1-CG 3.7Å; I733-W957 HydrophobicContact CG1-CZ2 4.42Å; I733-W957 HydrophobicContact CG1-CZ3 4.44Å; I733-W957 HydrophobicContact CG2-CE3 4.5Å; I733-W957 HydrophobicContact CG2-CH2 4.17Å; I733-W957 HydrophobicContact CG2-CZ2 4.3Å; I733-W957 HydrophobicContact CG2-CZ3 4.27Å; E736-W957 HydrophobicContact CB-CZ2 4.2Å; E736-W957 PolarHBondContact OE2-NE1 3.07Å; H737-W957 HydrophobicContact CB-CH2 3.67Å; H737-W957 HydrophobicContact CB-CZ2 3.88Å; V953-W957 WeakPolarHBondContact O-CB 3.34Å; V953-W957 PolarHBondContact O-N 3.43Å; V954-W957 PolarHBondContact O-N 3.03Å; R955-W957 VanDerWaalsContact C-N 3.27Å; R955-W957 PolarHBondContact O-N 3.47Å; W957-S959 VanDerWaalsContact C-N 3.33Å; W957-S959 PolarHBondContact O-N 2.7Å; W957-R960 VanDerWaalsContact CD1-NH1 3.26Å; W957-R960 WeakPolarHBondContact O-CA 3.38Å; W957-R960 WeakPolarHBondContact O-CD 3.4Å; W957-R960 PolarHBondContact O-N 2.87Å; W957-R960 PolarHBondContact O-NH1 3.22Å; W957-A968 HydrophobicContact CE3-CB 4.36Å; W957-A968 HydrophobicContact CH2-CB 4.16Å; W957-A968 HydrophobicContact CZ3-CB 3.51Å
958	Y	94.5	Very high	90.9	Very high	8 Å²	8	32 Å²	32	3%	0.031	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-33.8	178.9	-78.6	-42.5	0	0	0	113.4	R611 S614 P732 V954 R955 R960	R611-Y958 HydrophobicContact CB-CD1 3.71Å; R611-Y958 HydrophobicContact CB-CE1 4.05Å; R611-Y958 HydrophobicContact CB-CG 4.49Å; R611-Y958 HydrophobicContact CG-CD1 3.89Å; R611-Y958 HydrophobicContact CG-CG 4.48Å; R611-Y958 PolarHBondContact NE-O 3.47Å; S614-Y958 WeakPolarHBondContact OG-CB 3.49Å; P732-Y958 HydrophobicContact CB-CE1 4.04Å; P732-Y958 HydrophobicContact CG-CD1 4.29Å; P732-Y958 HydrophobicContact CG-CE1 3.59Å; P732-Y958 HydrophobicContact CG-CE2 4.27Å; V954-Y958 HydrophobicContact CG1-CD2 3.66Å; V954-Y958 HydrophobicContact CG1-CE2 3.48Å; V954-Y958 VanDerWaalsContact CG1-CE2 3.48Å; V954-Y958 PolarHBondContact O-N 2.92Å; R955-Y958 PolarHBondContact O-N 2.85Å; Y958-R960 PolarHBondContact O-N 3.09Å
959	S	92.6	Very high	92.2	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.035	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.4	170.4	-50.6	0	0	0	0	113.1	C567 D618 R955 W957 L961	C567-S959 WeakPolarHBondContact CA-O 3.48Å; C567-S959 PolarHBondContact SG-O 2.9Å; D618-S959 PolarHBondContact OD2-OG 3.5Å; R955-S959 PolarHBondContact O-N 2.75Å; R955-S959 PolarHBondContact O-OG 3.45Å; W957-S959 VanDerWaalsContact C-N 3.33Å; W957-S959 PolarHBondContact O-N 2.7Å; S959-L961 VanDerWaalsContact C-N 3.34Å; S959-L961 PolarHBondContact O-N 2.79Å
960	R	94.6	Very high	93	Very high	9 Å²	9	36.8 Å²	36.8	3%	0.034	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	48.4	-173.4	-66.8	-65	-168.7	-94.1	5.3	112.7	D565 C567 E736 S956 W957 Y958 V965	D565-R960 WeakPolarHBondContact O-CB 3.27Å; D565-R960 WeakPolarHBondContact OD1-CD 3.38Å; D565-R960 IonicContact OD1-CZ 3.61Å; D565-R960 IonicContact OD1-NE 3.37Å; D565-R960 PolarHBondContact OD1-NE 3.23Å; D565-R960 IonicContact OD1-NH2 3.52Å; C567-R960 VanDerWaalsContact CB-O 3.24Å; C567-R960 WeakPolarHBondContact CB-O 3.22Å; E736-R960 IonicContact OE2-CZ 3.61Å; E736-R960 IonicContact OE2-NH1 3.4Å; E736-R960 PolarHBondContact OE2-NH1 2.86Å; E736-R960 IonicContact OE2-NH2 2.8Å; E736-R960 PolarHBondContact OE2-NH2 3.25Å; S956-R960 PolarHBondContact O-N 3.28Å; W957-R960 VanDerWaalsContact CD1-NH1 3.26Å; W957-R960 WeakPolarHBondContact O-CA 3.38Å; W957-R960 WeakPolarHBondContact O-CD 3.4Å; W957-R960 PolarHBondContact O-N 2.87Å; W957-R960 PolarHBondContact O-NH1 3.22Å; Y958-R960 PolarHBondContact O-N 3.09Å; R960-V965 HydrophobicContact CB-CG2 4.15Å
961	L	93.8	Very high	93.7	Very high	57 Å²	57	35.1 Å²	35.1	30%	0.298	19%	0.189	S	C	.	.			trans	-55.3	127.8	172.8	-69.8	-172.7	0	0	0	109.1	L569 S956 S959 A963 M964 V965	L569-L961 HydrophobicContact CD1-CD2 3.67Å; S956-L961 PolarHBondContact O-N 2.85Å; S956-L961 VanDerWaalsContact O-N 3.1Å; S959-L961 VanDerWaalsContact C-N 3.34Å; S959-L961 PolarHBondContact O-N 2.79Å; L961-A963 VanDerWaalsContact C-N 3.28Å; L961-A963 PolarHBondContact O-N 3.41Å; L961-M964 HydrophobicContact CB-CB 4.23Å; L961-M964 HydrophobicContact CB-CG 3.93Å; L961-M964 WeakPolarHBondContact O-CA 3.43Å; L961-M964 WeakPolarHBondContact O-CB 3.02Å; L961-M964 PolarHBondContact O-N 2.86Å; L961-V965 PolarHBondContact O-N 3.26Å; L961-V965 VanDerWaalsContact O-N 3.12Å
962	P	93.2	Very high	94.3	Very high	91 Å²	91	35.7 Å²	35.7	59%	0.591	19%	0.193	S	C	*	.	H	α-helix	trans	-54.8	-43.5	-172.4	-30	35.7	0	0	0	113.2	C567 M964 V965 E966	C567-P962 HydrophobicContact CB-CG 4.39Å; P962-M964 PolarHBondContact O-N 2.87Å; P962-V965 PolarHBondContact O-N 3.15Å; P962-E966 WeakPolarHBondContact O-CB 3.44Å; P962-E966 PolarHBondContact O-N 3.18Å
963	A	93.4	Very high	94.9	Very high	54 Å²	54	36 Å²	36	45%	0.446	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-28	176.8	0	0	0	0	0	113.4	L961 N967	L961-A963 VanDerWaalsContact C-N 3.28Å; L961-A963 PolarHBondContact O-N 3.41Å; A963-N967 WeakPolarHBondContact O-CB 3.49Å; A963-N967 PolarHBondContact O-N 3.05Å
964	M	94.7	Very high	95.2	Very high	15 Å²	15	36 Å²	36	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-79.5	-42.5	178	-68.2	-54.9	98.8	0	0	111.7	L961 P962 N967 A968 L1003 M1004	L961-M964 HydrophobicContact CB-CB 4.23Å; L961-M964 HydrophobicContact CB-CG 3.93Å; L961-M964 WeakPolarHBondContact O-CA 3.43Å; L961-M964 WeakPolarHBondContact O-CB 3.02Å; L961-M964 PolarHBondContact O-N 2.86Å; P962-M964 PolarHBondContact O-N 2.87Å; M964-N967 PolarHBondContact O-N 2.73Å; M964-A968 PolarHBondContact O-N 2.91Å; M964-L1003 HydrophobicContact CE-CB 4.32Å; M964-L1003 WeakPolarHBondContact CE-O 3.21Å; M964-M1004 HydrophobicContact SD-SD 4.07Å
965	V	95.4	Very high	95.5	Very high	25 Å²	25	34.8 Å²	34.8	15%	0.152	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-49.7	177	177.7	0	0	0	0	110	D565 R960 L961 P962 N967 A968 Q969	D565-V965 HydrophobicContact CB-CG1 3.91Å; D565-V965 HydrophobicContact CB-CG2 4.3Å; R960-V965 HydrophobicContact CB-CG2 4.15Å; L961-V965 PolarHBondContact O-N 3.26Å; L961-V965 VanDerWaalsContact O-N 3.12Å; P962-V965 PolarHBondContact O-N 3.15Å; V965-N967 VanDerWaalsContact C-N 3.33Å; V965-N967 PolarHBondContact O-N 3.45Å; V965-A968 PolarHBondContact O-N 3.46Å; V965-Q969 PolarHBondContact O-N 2.85Å
966	E	96.2	Very high	95.9	Very high	121 Å²	121	36 Å²	36	57%	0.565	20%	0.2	S	C	*	.	H	α-helix	trans	-59.5	-45.4	177.1	-171.5	-172.8	175	0	0	111.4	P962 A968 Q969 Q970	P962-E966 WeakPolarHBondContact O-CB 3.44Å; P962-E966 PolarHBondContact O-N 3.18Å; E966-A968 VanDerWaalsContact C-N 3.33Å; E966-A968 PolarHBondContact O-N 2.85Å; E966-Q969 PolarHBondContact O-N 3.19Å; E966-Q970 WeakPolarHBondContact O-CG 3.5Å; E966-Q970 PolarHBondContact O-N 3.44Å; E966-Q970 PolarHBondContact OE1-NE2 3.41Å
967	N	97.4	Very high	96.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.011	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-31.3	-178.7	-170.3	56.6	0	0	0	112.8	A963 M964 V965 Q970 L971 Q1000 M1004	A963-N967 WeakPolarHBondContact O-CB 3.49Å; A963-N967 PolarHBondContact O-N 3.05Å; M964-N967 PolarHBondContact O-N 2.73Å; V965-N967 VanDerWaalsContact C-N 3.33Å; V965-N967 PolarHBondContact O-N 3.45Å; N967-Q970 PolarHBondContact O-N 2.88Å; N967-L971 WeakPolarHBondContact O-CB 3.44Å; N967-L971 VanDerWaalsContact O-CG 3.32Å; N967-L971 WeakPolarHBondContact O-CG 3.45Å; N967-L971 PolarHBondContact O-N 3.33Å; N967-Q1000 PolarHBondContact ND2-O 2.96Å; N967-Q1000 WeakPolarHBondContact OD1-CA 3.37Å; N967-Q1000 WeakPolarHBondContact OD1-CB 3.43Å; N967-Q1000 WeakPolarHBondContact OD1-CG 3.2Å; N967-M1004 HydrophobicContact CB-SD 4.43Å; N967-M1004 WeakPolarHBondContact ND2-CG 3.35Å; N967-M1004 PolarHBondContact ND2-SD 3.06Å
968	A	96.8	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.3	-43.8	173.7	0	0	0	0	0	111.9	I733 W957 M964 V965 E966 Q970 L971 V972	I733-A968 HydrophobicContact CG2-CB 4.29Å; W957-A968 HydrophobicContact CE3-CB 4.36Å; W957-A968 HydrophobicContact CH2-CB 4.16Å; W957-A968 HydrophobicContact CZ3-CB 3.51Å; M964-A968 PolarHBondContact O-N 2.91Å; V965-A968 PolarHBondContact O-N 3.46Å; E966-A968 VanDerWaalsContact C-N 3.33Å; E966-A968 PolarHBondContact O-N 2.85Å; A968-Q970 VanDerWaalsContact C-N 3.35Å; A968-Q970 PolarHBondContact O-N 3.11Å; A968-L971 WeakPolarHBondContact O-CB 3.46Å; A968-L971 PolarHBondContact O-N 2.88Å; A968-V972 PolarHBondContact O-N 2.95Å
969	Q	96.4	Very high	96.4	Very high	107 Å²	107	37.8 Å²	37.8	50%	0.5	21%	0.207	S	C	.	.	H	α-helix	trans	-62.4	-42.9	173.2	-179.2	61.2	54.8	0	0	111.4	H737 V965 E966 L971 V972 S973	H737-Q969 PolarHBondContact NE2-OE1 3.45Å; V965-Q969 PolarHBondContact O-N 2.85Å; E966-Q969 PolarHBondContact O-N 3.19Å; Q969-L971 VanDerWaalsContact C-N 3.33Å; Q969-L971 PolarHBondContact O-N 2.82Å; Q969-V972 PolarHBondContact O-N 3.41Å; Q969-S973 PolarHBondContact O-N 3.11Å
970	Q	97.7	Very high	96.6	Very high	77 Å²	77	43.6 Å²	43.6	36%	0.36	23%	0.232	S	C	.	.	H	α-helix	trans	-67.2	-31.5	178.4	-66.3	178.9	9.2	0	0	112.8	E966 N967 A968 N974 Q1000	E966-Q970 WeakPolarHBondContact O-CG 3.5Å; E966-Q970 PolarHBondContact O-N 3.44Å; E966-Q970 PolarHBondContact OE1-NE2 3.41Å; N967-Q970 PolarHBondContact O-N 2.88Å; A968-Q970 VanDerWaalsContact C-N 3.35Å; A968-Q970 PolarHBondContact O-N 3.11Å; Q970-N974 VanDerWaalsContact O-CB 3.22Å; Q970-N974 WeakPolarHBondContact O-CB 3.34Å; Q970-N974 PolarHBondContact O-N 3.3Å; Q970-Q1000 PolarHBondContact O-NE2 3.28Å
971	L	97.9	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-48.7	174.4	-81.3	167.8	0	0	0	111	G726 W727 N967 A968 Q969 N974 S975 Q1000 M1004	G726-L971 WeakPolarHBondContact O-CD2 3.33Å; W727-L971 HydrophobicContact CB-CD1 4.2Å; N967-L971 WeakPolarHBondContact O-CB 3.44Å; N967-L971 VanDerWaalsContact O-CG 3.32Å; N967-L971 WeakPolarHBondContact O-CG 3.45Å; N967-L971 PolarHBondContact O-N 3.33Å; A968-L971 WeakPolarHBondContact O-CB 3.46Å; A968-L971 PolarHBondContact O-N 2.88Å; Q969-L971 VanDerWaalsContact C-N 3.33Å; Q969-L971 PolarHBondContact O-N 2.82Å; L971-N974 PolarHBondContact O-N 3.39Å; L971-S975 PolarHBondContact O-N 3.32Å; L971-Q1000 HydrophobicContact CD2-CB 3.61Å; L971-Q1000 HydrophobicContact CD2-CG 4.39Å; L971-Q1000 HydrophobicContact CG-CB 4.14Å; L971-M1004 HydrophobicContact CD1-CE 4.3Å; L971-M1004 HydrophobicContact CD1-CG 3.71Å; L971-M1004 HydrophobicContact CD1-SD 3.95Å
972	V	98.2	Very high	96.9	Very high	28 Å²	28	40.6 Å²	40.6	17%	0.17	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-48.7	177.1	173.1	0	0	0	0	110.4	A968 Q969 N974 S975 E976	A968-V972 PolarHBondContact O-N 2.95Å; Q969-V972 PolarHBondContact O-N 3.41Å; V972-N974 VanDerWaalsContact C-N 3.3Å; V972-N974 PolarHBondContact O-N 3.08Å; V972-S975 WeakPolarHBondContact O-CB 3.35Å; V972-S975 PolarHBondContact O-N 3.49Å; V972-S975 VanDerWaalsContact O-N 3.15Å; V972-E976 PolarHBondContact O-N 2.88Å; V972-E976 VanDerWaalsContact O-N 3.1Å
973	S	97.9	Very high	97	Very high	65 Å²	65	38.9 Å²	38.9	46%	0.455	21%	0.207	S	C	.	.	H	α-helix	trans	-60.3	-38.7	178.1	-177.5	0	0	0	0	112.7	Q969 E976 E977	Q969-S973 PolarHBondContact O-N 3.11Å; S973-E976 PolarHBondContact O-N 3.08Å; S973-E977 PolarHBondContact O-N 2.94Å
974	N	98.4	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.6	-33.4	177.9	-171.2	40.1	0	0	0	111.9	Q970 L971 V972 C978 C993 S997 Q1000	Q970-N974 VanDerWaalsContact O-CB 3.22Å; Q970-N974 WeakPolarHBondContact O-CB 3.34Å; Q970-N974 PolarHBondContact O-N 3.3Å; L971-N974 PolarHBondContact O-N 3.39Å; V972-N974 VanDerWaalsContact C-N 3.3Å; V972-N974 PolarHBondContact O-N 3.08Å; N974-C978 VanDerWaalsContact O-CB 3.23Å; N974-C978 WeakPolarHBondContact O-CB 3.37Å; N974-C978 PolarHBondContact O-N 3.49Å; N974-C993 PolarHBondContact ND2-O 3.38Å; N974-C993 WeakPolarHBondContact OD1-CA 3.37Å; N974-S997 PolarHBondContact ND2-N 3.44Å; N974-Q1000 PolarHBondContact ND2-OE1 3.35Å
975	S	98.3	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-49.1	171.2	-179.7	0	0	0	0	111.5	S740 V741 T742 L971 V972 E977 C978 A979	S740-S975 VanDerWaalsContact C-OG 3.27Å; S740-S975 WeakPolarHBondContact O-CB 3.42Å; S740-S975 PolarHBondContact O-OG 2.93Å; S740-S975 WeakPolarHBondContact OG-CB 3.33Å; S740-S975 PolarHBondContact OG-OG 2.96Å; V741-S975 WeakPolarHBondContact CA-OG 3.43Å; V741-S975 PolarHBondContact N-OG 2.76Å; T742-S975 PolarHBondContact N-OG 2.89Å; T742-S975 PolarHBondContact OG1-O 2.97Å; T742-S975 PolarHBondContact OG1-OG 3.11Å; T742-S975 VanDerWaalsContact OG1-OG 3.04Å; L971-S975 PolarHBondContact O-N 3.32Å; V972-S975 WeakPolarHBondContact O-CB 3.35Å; V972-S975 PolarHBondContact O-N 3.49Å; V972-S975 VanDerWaalsContact O-N 3.15Å; S975-E977 PolarHBondContact O-N 3.22Å; S975-C978 WeakPolarHBondContact O-CA 3.34Å; S975-C978 VanDerWaalsContact O-CB 3.3Å; S975-C978 WeakPolarHBondContact O-CB 3.41Å; S975-C978 PolarHBondContact O-N 2.86Å; S975-C978 VanDerWaalsContact O-N 3.11Å; S975-A979 PolarHBondContact O-N 3.32Å
976	E	98	Very high	97.2	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-38.3	179.3	-61	-56.2	145	0	0	112.4	S740 R907 V972 S973 C978 A979 K980	S740-E976 WeakPolarHBondContact CB-OE1 3.25Å; S740-E976 PolarHBondContact OG-OE1 3.16Å; R907-E976 IonicContact CZ-OE1 3.7Å; R907-E976 IonicContact CZ-OE2 3.63Å; R907-E976 IonicContact NE-OE1 2.72Å; R907-E976 PolarHBondContact NE-OE1 3.32Å; R907-E976 IonicContact NE-OE2 3.91Å; R907-E976 PolarHBondContact NE-OE2 2.85Å; R907-E976 IonicContact NH2-OE1 3.2Å; R907-E976 IonicContact NH2-OE2 2.67Å; R907-E976 PolarHBondContact NH2-OE2 3.11Å; V972-E976 PolarHBondContact O-N 2.88Å; V972-E976 VanDerWaalsContact O-N 3.1Å; S973-E976 PolarHBondContact O-N 3.08Å; E976-C978 VanDerWaalsContact C-N 3.31Å; E976-C978 PolarHBondContact O-N 3.45Å; E976-A979 PolarHBondContact O-N 3.3Å; E976-K980 WeakPolarHBondContact O-CB 3.46Å; E976-K980 PolarHBondContact O-N 2.91Å
977	E	97.9	Very high	97.1	Very high	68 Å²	68	37.1 Å²	37.1	32%	0.318	20%	0.2	S	C	.	.	H	α-helix	trans	-63.3	-38.2	172.6	-170.8	179.9	168.9	0	0	111.6	S973 S975 S981 R996	S973-E977 PolarHBondContact O-N 2.94Å; S975-E977 PolarHBondContact O-N 3.22Å; E977-S981 WeakPolarHBondContact O-CB 3.46Å; E977-S981 PolarHBondContact O-N 3.03Å; E977-S981 PolarHBondContact O-OG 2.85Å; E977-R996 IonicContact OE1-NH2 3.32Å; E977-R996 IonicContact OE2-CZ 3.88Å; E977-R996 IonicContact OE2-NH1 2.72Å; E977-R996 PolarHBondContact OE2-NH1 3.01Å; E977-R996 IonicContact OE2-NH2 3.03Å
978	C	98	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-45.9	175.8	-174.4	0	0	0	0	111.8	L723 A724 T742 N974 S975 E976 K980 S981 C982 L990 C993	L723-C978 WeakPolarHBondContact CB-SG 3.27Å; A724-C978 HydrophobicContact CB-CB 3.57Å; T742-C978 HydrophobicContact CG2-CB 4.35Å; N974-C978 VanDerWaalsContact O-CB 3.23Å; N974-C978 WeakPolarHBondContact O-CB 3.37Å; N974-C978 PolarHBondContact O-N 3.49Å; S975-C978 WeakPolarHBondContact O-CA 3.34Å; S975-C978 VanDerWaalsContact O-CB 3.3Å; S975-C978 WeakPolarHBondContact O-CB 3.41Å; S975-C978 PolarHBondContact O-N 2.86Å; S975-C978 VanDerWaalsContact O-N 3.11Å; E976-C978 VanDerWaalsContact C-N 3.31Å; E976-C978 PolarHBondContact O-N 3.45Å; C978-K980 PolarHBondContact O-N 2.78Å; C978-S981 WeakPolarHBondContact O-CB 3.43Å; C978-S981 PolarHBondContact O-N 3.11Å; C978-C982 PolarHBondContact O-N 3.23Å; C978-C982 PolarHBondContact O-SG 2.82Å; C978-L990 WeakPolarHBondContact SG-CD1 3.32Å; C978-C993 HydrophobicContact CB-CB 3.94Å
979	A	97.9	Very high	97	Very high	5 Å²	5	44.9 Å²	44.9	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-57.8	-48.2	175.5	0	0	0	0	0	111.1	T742 V905 L921 S975 E976 S981 C982 S983	T742-A979 HydrophobicContact CG2-CB 4.37Å; V905-A979 HydrophobicContact CB-CB 4.3Å; V905-A979 HydrophobicContact CG1-CB 4.47Å; L921-A979 HydrophobicContact CD1-CB 3.89Å; S975-A979 PolarHBondContact O-N 3.32Å; E976-A979 PolarHBondContact O-N 3.3Å; A979-S981 VanDerWaalsContact C-N 3.33Å; A979-S981 PolarHBondContact O-N 2.93Å; A979-C982 PolarHBondContact O-N 3.25Å; A979-S983 PolarHBondContact O-N 3.12Å; A979-S983 PolarHBondContact O-OG 2.93Å
980	K	97.2	Very high	97	Very high	127 Å²	127	39.9 Å²	39.9	55%	0.552	22%	0.215	S	C	*	.	H	α-helix	trans	-59.4	-43.3	175.7	-175.9	172.7	178.1	174.1	0	112.2	E976 C978 C982 S983 E984	E976-K980 WeakPolarHBondContact O-CB 3.46Å; E976-K980 PolarHBondContact O-N 2.91Å; C978-K980 PolarHBondContact O-N 2.78Å; K980-C982 VanDerWaalsContact C-N 3.29Å; K980-C982 PolarHBondContact O-N 2.92Å; K980-S983 PolarHBondContact O-N 3.49Å; K980-E984 WeakPolarHBondContact CE-OE1 3.2Å; K980-E984 HydrophobicContact CG-CG 4.32Å; K980-E984 IonicContact NZ-OE1 3.74Å; K980-E984 WeakPolarHBondContact O-CB 3.4Å; K980-E984 WeakPolarHBondContact O-CG 3.29Å; K980-E984 PolarHBondContact O-N 3.37Å
981	S	96.7	Very high	97	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-36.4	178.4	-61.2	0	0	0	0	112.7	E977 C978 A979 G985 S986 R989	E977-S981 WeakPolarHBondContact O-CB 3.46Å; E977-S981 PolarHBondContact O-N 3.03Å; E977-S981 PolarHBondContact O-OG 2.85Å; C978-S981 WeakPolarHBondContact O-CB 3.43Å; C978-S981 PolarHBondContact O-N 3.11Å; A979-S981 VanDerWaalsContact C-N 3.33Å; A979-S981 PolarHBondContact O-N 2.93Å; S981-G985 PolarHBondContact O-N 3.35Å; S981-S986 PolarHBondContact O-N 2.8Å; S981-R989 VanDerWaalsContact OG-CB 3.31Å; S981-R989 WeakPolarHBondContact OG-CB 3.4Å
982	C	96.5	Very high	96.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.4	-47.5	174.5	-63.5	0	0	0	0	111.1	V903 L921 P923 F927 C978 A979 K980 E984 G985	V903-C982 HydrophobicContact CG1-CB 4.09Å; L921-C982 HydrophobicContact CD1-CB 4.19Å; P923-C982 WeakPolarHBondContact CB-O 3.35Å; P923-C982 HydrophobicContact CG-CB 4.47Å; F927-C982 HydrophobicContact CE1-CB 4.12Å; F927-C982 HydrophobicContact CZ-CB 4.4Å; C978-C982 PolarHBondContact O-N 3.23Å; C978-C982 PolarHBondContact O-SG 2.82Å; A979-C982 PolarHBondContact O-N 3.25Å; K980-C982 VanDerWaalsContact C-N 3.29Å; K980-C982 PolarHBondContact O-N 2.92Å; C982-E984 VanDerWaalsContact C-N 3.3Å; C982-E984 PolarHBondContact O-N 3.33Å; C982-G985 PolarHBondContact O-N 3.1Å; C982-G985 VanDerWaalsContact O-N 3.07Å
983	S	95.8	Very high	96.9	Very high	54 Å²	54	41 Å²	41	38%	0.378	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-33.7	178.8	-61.1	0	0	0	0	113.1	A979 K980 G985	A979-S983 PolarHBondContact O-N 3.12Å; A979-S983 PolarHBondContact O-OG 2.93Å; K980-S983 PolarHBondContact O-N 3.49Å; S983-G985 VanDerWaalsContact C-N 3.33Å
984	E	95.4	Very high	96.8	Very high	93 Å²	93	38 Å²	38	44%	0.435	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.9	175.5	-68.9	176	169.9	0	0	113.6	K980 C982 R989	K980-E984 WeakPolarHBondContact CE-OE1 3.2Å; K980-E984 HydrophobicContact CG-CG 4.32Å; K980-E984 IonicContact NZ-OE1 3.74Å; K980-E984 WeakPolarHBondContact O-CB 3.4Å; K980-E984 WeakPolarHBondContact O-CG 3.29Å; K980-E984 PolarHBondContact O-N 3.37Å; C982-E984 VanDerWaalsContact C-N 3.3Å; C982-E984 PolarHBondContact O-N 3.33Å; E984-R989 IonicContact OE2-CZ 3.87Å; E984-R989 IonicContact OE2-NH1 3.89Å; E984-R989 PolarHBondContact OE2-NH1 3.11Å
985	G	95.6	Very high	96.7	Very high	29 Å²	29	40 Å²	40	30%	0.299	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	29	178.6	0	0	0	0	0	115.4	F927 S981 C982 S983	F927-G985 VanDerWaalsContact CD2-CA 3.41Å; F927-G985 WeakPolarHBondContact CD2-O 3.39Å; S981-G985 PolarHBondContact O-N 3.35Å; C982-G985 PolarHBondContact O-N 3.1Å; C982-G985 VanDerWaalsContact O-N 3.07Å; S983-G985 VanDerWaalsContact C-N 3.33Å
986	S	96.1	Very high	96.6	Very high	33 Å²	33	44.8 Å²	44.8	23%	0.231	22%	0.22	C	C	.	.			trans	-102.4	97.6	-175	-170.1	0	0	0	0	113.8	S981 S988 R989 L990	S981-S986 PolarHBondContact O-N 2.8Å; S986-S988 VanDerWaalsContact C-N 3.33Å; S986-S988 PolarHBondContact O-N 2.92Å; S986-R989 PolarHBondContact O-N 2.71Å; S986-R989 WeakPolarHBondContact OG-CG 3.47Å; S986-L990 PolarHBondContact O-N 3.25Å
987	L	95	Very high	96.5	Very high	24 Å²	24	41.8 Å²	41.8	13%	0.126	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-37.9	179	-155.9	71.7	0	0	0	113	F927 L931 H934 L990 G991 L1025 L1041	F927-L987 HydrophobicContact CE2-CB 4.48Å; F927-L987 HydrophobicContact CE2-CD1 4.03Å; L931-L987 HydrophobicContact CD1-CD1 4.13Å; H934-L987 HydrophobicContact CB-CD2 4.05Å; L987-L990 HydrophobicContact CD1-CD2 4.48Å; L987-L990 PolarHBondContact O-N 3.41Å; L987-G991 PolarHBondContact O-N 3.32Å; L987-L1025 HydrophobicContact CB-CD1 4.43Å; L987-L1025 HydrophobicContact CD2-CD1 3.86Å; L987-L1025 HydrophobicContact CG-CD1 3.92Å; L987-L1041 HydrophobicContact CD1-CD1 3.85Å; L987-L1041 HydrophobicContact CD1-CD2 4.22Å; L987-L1041 HydrophobicContact CD1-CG 4.42Å; L987-L1041 HydrophobicContact CG-CD1 4.29Å; L987-L1041 HydrophobicContact CG-CD2 4.12Å; L987-L1041 HydrophobicContact CG-CG 4.37Å
988	S	95.6	Very high	96.4	Very high	58 Å²	58	38.9 Å²	38.9	41%	0.406	19%	0.192	S	C	.	.	H	α-helix	trans	-65.7	-40	177.8	-179.2	0	0	0	0	112.5	S986 R992	S986-S988 VanDerWaalsContact C-N 3.33Å; S986-S988 PolarHBondContact O-N 2.92Å; S988-R992 PolarHBondContact O-N 2.96Å; S988-R992 PolarHBondContact O-NH1 2.85Å; S988-R992 PolarHBondContact OG-NH1 2.91Å
989	R	96.8	Very high	96.2	Very high	107 Å²	107	42.8 Å²	42.8	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-68.2	-41.5	175.1	-71.6	177.1	-178	-173.1	-1.1	110.9	S981 E984 S986 G991 R992 C993	S981-R989 VanDerWaalsContact OG-CB 3.31Å; S981-R989 WeakPolarHBondContact OG-CB 3.4Å; E984-R989 IonicContact OE2-CZ 3.87Å; E984-R989 IonicContact OE2-NH1 3.89Å; E984-R989 PolarHBondContact OE2-NH1 3.11Å; S986-R989 PolarHBondContact O-N 2.71Å; S986-R989 WeakPolarHBondContact OG-CG 3.47Å; R989-G991 VanDerWaalsContact C-N 3.34Å; R989-G991 PolarHBondContact O-N 3.32Å; R989-R992 VanDerWaalsContact CG-NH2 3.26Å; R989-R992 PolarHBondContact O-N 2.8Å; R989-C993 PolarHBondContact O-N 2.89Å; R989-C993 PolarHBondContact O-SG 3.25Å
990	L	97.1	Very high	96.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-46.4	173.8	176.6	61.9	0	0	0	111.7	L723 F927 L931 C978 S986 L987 R992 C993 L994 L1041	L723-L990 HydrophobicContact CB-CD1 4.16Å; L723-L990 HydrophobicContact CD1-CD1 4.08Å; L723-L990 HydrophobicContact CD2-CD1 4.44Å; L723-L990 HydrophobicContact CG-CD1 4.46Å; F927-L990 HydrophobicContact CZ-CD2 4.02Å; L931-L990 HydrophobicContact CD1-CD2 3.73Å; C978-L990 WeakPolarHBondContact SG-CD1 3.32Å; S986-L990 PolarHBondContact O-N 3.25Å; L987-L990 HydrophobicContact CD1-CD2 4.48Å; L987-L990 PolarHBondContact O-N 3.41Å; L990-R992 VanDerWaalsContact C-N 3.32Å; L990-R992 PolarHBondContact O-N 3.03Å; L990-C993 WeakPolarHBondContact O-CB 3.13Å; L990-C993 PolarHBondContact O-N 2.87Å; L990-C993 VanDerWaalsContact O-N 3.13Å; L990-L994 WeakPolarHBondContact O-CB 3.4Å; L990-L994 PolarHBondContact O-N 3.2Å; L990-L1041 HydrophobicContact CB-CD2 4.32Å; L990-L1041 HydrophobicContact CD2-CD2 4.11Å; L990-L1041 HydrophobicContact CG-CD2 4.02Å
991	G	96.7	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-40.8	176.4	0	0	0	0	0	113.4	L987 R989 L994 D995 L1025	L987-G991 PolarHBondContact O-N 3.32Å; R989-G991 VanDerWaalsContact C-N 3.34Å; R989-G991 PolarHBondContact O-N 3.32Å; G991-L994 WeakPolarHBondContact O-CB 3.37Å; G991-L994 PolarHBondContact O-N 2.96Å; G991-D995 PolarHBondContact O-N 3Å; G991-L1025 CarbonylContact C-O 3.51Å
992	R	96.7	Very high	95.7	Very high	127 Å²	127	39.6 Å²	39.6	48%	0.479	20%	0.196	S	C	.	.	H	α-helix	trans	-65.5	-40.5	174.1	-71.4	-167.6	-67.5	-85.4	8.3	112.9	S988 R989 L990 L994 D995 R996	S988-R992 PolarHBondContact O-N 2.96Å; S988-R992 PolarHBondContact O-NH1 2.85Å; S988-R992 PolarHBondContact OG-NH1 2.91Å; R989-R992 VanDerWaalsContact CG-NH2 3.26Å; R989-R992 PolarHBondContact O-N 2.8Å; L990-R992 VanDerWaalsContact C-N 3.32Å; L990-R992 PolarHBondContact O-N 3.03Å; R992-L994 VanDerWaalsContact C-N 3.29Å; R992-L994 PolarHBondContact O-N 2.74Å; R992-D995 PolarHBondContact O-N 2.84Å; R992-R996 WeakPolarHBondContact O-CB 3.36Å; R992-R996 PolarHBondContact O-N 2.87Å
993	C	97.7	Very high	95.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-40.9	176	-63.1	0	0	0	0	110.9	N974 C978 R989 L990 R996 S997	N974-C993 PolarHBondContact ND2-O 3.38Å; N974-C993 WeakPolarHBondContact OD1-CA 3.37Å; C978-C993 HydrophobicContact CB-CB 3.94Å; R989-C993 PolarHBondContact O-N 2.89Å; R989-C993 PolarHBondContact O-SG 3.25Å; L990-C993 WeakPolarHBondContact O-CB 3.13Å; L990-C993 PolarHBondContact O-N 2.87Å; L990-C993 VanDerWaalsContact O-N 3.13Å; C993-R996 PolarHBondContact O-N 2.9Å; C993-S997 WeakPolarHBondContact O-CB 3.31Å; C993-S997 PolarHBondContact O-N 3.22Å
994	L	96.4	Very high	95.4	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-47.9	178.4	-177.5	57.8	0	0	0	112.3	L990 G991 R992 R996 S997 W998 S1028 Y1039 L1041	L990-L994 WeakPolarHBondContact O-CB 3.4Å; L990-L994 PolarHBondContact O-N 3.2Å; G991-L994 WeakPolarHBondContact O-CB 3.37Å; G991-L994 PolarHBondContact O-N 2.96Å; R992-L994 VanDerWaalsContact C-N 3.29Å; R992-L994 PolarHBondContact O-N 2.74Å; L994-R996 VanDerWaalsContact C-N 3.33Å; L994-R996 PolarHBondContact O-N 3.48Å; L994-S997 WeakPolarHBondContact O-CB 3.41Å; L994-S997 PolarHBondContact O-N 2.78Å; L994-W998 PolarHBondContact O-N 3.27Å; L994-S1028 VanDerWaalsContact CD1-CB 3.47Å; L994-Y1039 HydrophobicContact CD1-CD2 4.17Å; L994-Y1039 HydrophobicContact CD1-CE2 3.31Å; L994-Y1039 HydrophobicContact CD2-CD2 4.32Å; L994-Y1039 HydrophobicContact CD2-CE2 4.24Å; L994-Y1039 HydrophobicContact CG-CE2 4.41Å; L994-L1041 HydrophobicContact CD2-CB 4.22Å
995	D	95.1	Very high	95.1	Very high	40 Å²	40	36.9 Å²	36.9	21%	0.214	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-40.4	176.1	-96	6.6	0	0	0	112.1	G991 R992 W998 Q999 G1026 Q1027	G991-D995 PolarHBondContact O-N 3Å; R992-D995 PolarHBondContact O-N 2.84Å; D995-W998 PolarHBondContact O-N 2.87Å; D995-Q999 PolarHBondContact O-N 3.01Å; D995-Q999 VanDerWaalsContact O-N 3.14Å; D995-G1026 VanDerWaalsContact OD1-CA 3.23Å; D995-G1026 WeakPolarHBondContact OD1-CA 3.34Å; D995-Q1027 PolarHBondContact OD1-N 3.17Å; D995-Q1027 VanDerWaalsContact OD1-N 3.13Å
996	R	96.6	Very high	94.5	Very high	102 Å²	102	39.8 Å²	39.8	39%	0.385	19%	0.193	S	C	.	.	H	α-helix	trans	-63	-44.1	173.8	-169	-175.4	-61.7	159.1	4.3	110.5	E977 R992 C993 L994 W998 Q999 Q1000	E977-R996 IonicContact OE1-NH2 3.32Å; E977-R996 IonicContact OE2-CZ 3.88Å; E977-R996 IonicContact OE2-NH1 2.72Å; E977-R996 PolarHBondContact OE2-NH1 3.01Å; E977-R996 IonicContact OE2-NH2 3.03Å; R992-R996 WeakPolarHBondContact O-CB 3.36Å; R992-R996 PolarHBondContact O-N 2.87Å; C993-R996 PolarHBondContact O-N 2.9Å; L994-R996 VanDerWaalsContact C-N 3.33Å; L994-R996 PolarHBondContact O-N 3.48Å; R996-W998 VanDerWaalsContact C-N 3.26Å; R996-W998 PolarHBondContact O-N 3.34Å; R996-Q999 PolarHBondContact O-N 3.22Å; R996-Q999 VanDerWaalsContact O-N 3.09Å; R996-Q1000 HydrophobicContact CG-CG 4.35Å; R996-Q1000 VanDerWaalsContact O-CG 3.25Å; R996-Q1000 WeakPolarHBondContact O-CG 3.34Å; R996-Q1000 PolarHBondContact O-N 3.38Å
997	S	95.9	Very high	93.8	Very high	2 Å²	2	40 Å²	40	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-38.3	176.9	-173.8	0	0	0	0	111.6	N974 C993 L994 Q1000 K1001	N974-S997 PolarHBondContact ND2-N 3.44Å; C993-S997 WeakPolarHBondContact O-CB 3.31Å; C993-S997 PolarHBondContact O-N 3.22Å; L994-S997 WeakPolarHBondContact O-CB 3.41Å; L994-S997 PolarHBondContact O-N 2.78Å; S997-Q1000 PolarHBondContact O-N 2.79Å; S997-K1001 VanDerWaalsContact O-CB 3.31Å; S997-K1001 WeakPolarHBondContact O-CB 3.29Å; S997-K1001 PolarHBondContact O-N 3.25Å
998	W	94.8	Very high	93.4	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-42.9	173.9	-179.5	-125.4	0	0	0	112.9	L994 D995 R996 K1001 K1002 E1009 M1017 L1029	L994-W998 PolarHBondContact O-N 3.27Å; D995-W998 PolarHBondContact O-N 2.87Å; R996-W998 VanDerWaalsContact C-N 3.26Å; R996-W998 PolarHBondContact O-N 3.34Å; W998-K1001 HydrophobicContact CE3-CB 4.35Å; W998-K1001 HydrophobicContact CE3-CD 4.09Å; W998-K1001 HydrophobicContact CZ3-CD 3.91Å; W998-K1001 HydrophobicContact CZ3-CG 4.46Å; W998-K1001 PolarHBondContact O-N 3.46Å; W998-K1002 HydrophobicContact CD2-CG 4.42Å; W998-K1002 HydrophobicContact CZ2-CD 4.14Å; W998-K1002 HydrophobicContact CZ2-CG 4.18Å; W998-K1002 WeakPolarHBondContact O-CG 3.32Å; W998-K1002 PolarHBondContact O-N 2.84Å; W998-K1002 VanDerWaalsContact O-N 3.11Å; W998-E1009 HydrophobicContact CH2-CB 4.09Å; W998-E1009 HydrophobicContact CZ2-CB 3.69Å; W998-E1009 HydrophobicContact CZ2-CG 3.76Å; W998-E1009 PolarHBondContact NE1-OE1 2.67Å; W998-M1017 VanDerWaalsContact CD1-CE 3.48Å; W998-M1017 HydrophobicContact CD2-CE 3.92Å; W998-M1017 HydrophobicContact CD2-SD 4.42Å; W998-M1017 VanDerWaalsContact CE2-SD 3.59Å; W998-M1017 HydrophobicContact CG-CE 3.88Å; W998-M1017 HydrophobicContact CH2-SD 4.43Å; W998-M1017 HydrophobicContact CZ2-CE 4.18Å; W998-M1017 HydrophobicContact CZ2-SD 3.58Å; W998-M1017 VanDerWaalsContact CZ2-SD 3.58Å; W998-M1017 VanDerWaalsContact NE1-CE 3.31Å; W998-L1029 HydrophobicContact CE3-CB 4.27Å; W998-L1029 HydrophobicContact CH2-CB 3.69Å; W998-L1029 HydrophobicContact CH2-CD2 4.19Å; W998-L1029 HydrophobicContact CZ3-CB 3.44Å; W998-L1029 VanDerWaalsContact CZ3-CB 3.44Å
999	Q	95.3	Very high	93.1	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.383	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-44.2	175	-58.8	-42.5	-60.2	0	0	111.6	D995 R996 K1001 K1002 L1003	D995-Q999 PolarHBondContact O-N 3.01Å; D995-Q999 VanDerWaalsContact O-N 3.14Å; R996-Q999 PolarHBondContact O-N 3.22Å; R996-Q999 VanDerWaalsContact O-N 3.09Å; Q999-K1001 VanDerWaalsContact C-N 3.33Å; Q999-K1001 PolarHBondContact O-N 3.17Å; Q999-K1002 PolarHBondContact O-N 3.39Å; Q999-L1003 PolarHBondContact O-N 3.32Å; Q999-L1003 VanDerWaalsContact O-N 3.16Å
1000	Q	95.9	Very high	92.6	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.023	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-39.7	177.8	-66.8	170.6	-36.5	0	0	111.6	N967 Q970 L971 N974 R996 S997 K1002 L1003 M1004	N967-Q1000 PolarHBondContact ND2-O 2.96Å; N967-Q1000 WeakPolarHBondContact OD1-CA 3.37Å; N967-Q1000 WeakPolarHBondContact OD1-CB 3.43Å; N967-Q1000 WeakPolarHBondContact OD1-CG 3.2Å; Q970-Q1000 PolarHBondContact O-NE2 3.28Å; L971-Q1000 HydrophobicContact CD2-CB 3.61Å; L971-Q1000 HydrophobicContact CD2-CG 4.39Å; L971-Q1000 HydrophobicContact CG-CB 4.14Å; N974-Q1000 PolarHBondContact ND2-OE1 3.35Å; R996-Q1000 HydrophobicContact CG-CG 4.35Å; R996-Q1000 VanDerWaalsContact O-CG 3.25Å; R996-Q1000 WeakPolarHBondContact O-CG 3.34Å; R996-Q1000 PolarHBondContact O-N 3.38Å; S997-Q1000 PolarHBondContact O-N 2.79Å; Q1000-K1002 PolarHBondContact O-N 3.42Å; Q1000-L1003 WeakPolarHBondContact O-CB 3.38Å; Q1000-L1003 PolarHBondContact O-N 3.36Å; Q1000-M1004 PolarHBondContact O-N 2.86Å
1001	K	93.6	Very high	92.1	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.022	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-40.8	176.1	-173.3	174.4	-66.2	-171.6	0	112	S997 W998 Q999 L1003 M1004 A1005 L1029 G1031	S997-K1001 VanDerWaalsContact O-CB 3.31Å; S997-K1001 WeakPolarHBondContact O-CB 3.29Å; S997-K1001 PolarHBondContact O-N 3.25Å; W998-K1001 HydrophobicContact CE3-CB 4.35Å; W998-K1001 HydrophobicContact CE3-CD 4.09Å; W998-K1001 HydrophobicContact CZ3-CD 3.91Å; W998-K1001 HydrophobicContact CZ3-CG 4.46Å; W998-K1001 PolarHBondContact O-N 3.46Å; Q999-K1001 VanDerWaalsContact C-N 3.33Å; Q999-K1001 PolarHBondContact O-N 3.17Å; K1001-L1003 VanDerWaalsContact C-N 3.28Å; K1001-L1003 PolarHBondContact O-N 3.11Å; K1001-M1004 PolarHBondContact O-N 3.13Å; K1001-A1005 PolarHBondContact O-N 3.37Å; K1001-L1029 PolarHBondContact NZ-O 2.86Å; K1001-G1031 WeakPolarHBondContact CE-O 3.18Å; K1001-G1031 PolarHBondContact NZ-O 3.05Å
1002	K	92.3	Very high	91.5	Very high	58 Å²	58	38.7 Å²	38.7	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-64.5	-32.1	175.1	-71.9	-174.5	-62.4	175.3	0	113.1	W998 Q999 Q1000 C1008 E1009	W998-K1002 HydrophobicContact CD2-CG 4.42Å; W998-K1002 HydrophobicContact CZ2-CD 4.14Å; W998-K1002 HydrophobicContact CZ2-CG 4.18Å; W998-K1002 WeakPolarHBondContact O-CG 3.32Å; W998-K1002 PolarHBondContact O-N 2.84Å; W998-K1002 VanDerWaalsContact O-N 3.11Å; Q999-K1002 PolarHBondContact O-N 3.39Å; Q1000-K1002 PolarHBondContact O-N 3.42Å; K1002-C1008 VanDerWaalsContact CG-SG 3.6Å; K1002-E1009 HydrophobicContact CD-CB 4.25Å; K1002-E1009 IonicContact NZ-OE1 3.04Å
1003	L	93.1	Very high	91.1	Very high	88 Å²	88	32.6 Å²	32.6	46%	0.461	19%	0.187	S	C	.	.	H	α-helix	trans	-70.4	-47.9	173.3	-68	173.7	0	0	0	110.9	M964 Q999 Q1000 K1001 A1005	M964-L1003 HydrophobicContact CE-CB 4.32Å; M964-L1003 WeakPolarHBondContact CE-O 3.21Å; Q999-L1003 PolarHBondContact O-N 3.32Å; Q999-L1003 VanDerWaalsContact O-N 3.16Å; Q1000-L1003 WeakPolarHBondContact O-CB 3.38Å; Q1000-L1003 PolarHBondContact O-N 3.36Å; K1001-L1003 VanDerWaalsContact C-N 3.28Å; K1001-L1003 PolarHBondContact O-N 3.11Å; L1003-A1005 PolarHBondContact O-N 3.32Å
1004	M	91.9	Very high	90.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-47.6	178.2	-69.6	-53.9	-79.8	0	0	112.4	W727 I733 V953 M964 N967 L971 Q1000 K1001 P1006	W727-M1004 HydrophobicContact CB-CB 4.43Å; W727-M1004 HydrophobicContact CB-CE 3.94Å; W727-M1004 HydrophobicContact CB-CG 4.04Å; W727-M1004 HydrophobicContact CG-CB 4.08Å; W727-M1004 HydrophobicContact CG-CG 4.19Å; I733-M1004 HydrophobicContact CD1-CE 3.62Å; V953-M1004 HydrophobicContact CG1-CE 3.71Å; V953-M1004 HydrophobicContact CG2-CB 4.26Å; V953-M1004 WeakPolarHBondContact CG2-O 3.3Å; M964-M1004 HydrophobicContact SD-SD 4.07Å; N967-M1004 HydrophobicContact CB-SD 4.43Å; N967-M1004 WeakPolarHBondContact ND2-CG 3.35Å; N967-M1004 PolarHBondContact ND2-SD 3.06Å; L971-M1004 HydrophobicContact CD1-CE 4.3Å; L971-M1004 HydrophobicContact CD1-CG 3.71Å; L971-M1004 HydrophobicContact CD1-SD 3.95Å; Q1000-M1004 PolarHBondContact O-N 2.86Å; K1001-M1004 PolarHBondContact O-N 3.13Å; M1004-P1006 WeakPolarHBondContact O-CD 3.43Å
1005	A	90	Very high	90.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-125	80.7	-171.3	0	0	0	0	0	111.2	W727 L949 V953 K1001 L1003 G1007 C1008	W727-A1005 HydrophobicContact CZ2-CB 3.95Å; L949-A1005 HydrophobicContact CB-CB 4.17Å; L949-A1005 HydrophobicContact CD2-CB 4.28Å; V953-A1005 HydrophobicContact CG2-CB 4.08Å; K1001-A1005 PolarHBondContact O-N 3.37Å; L1003-A1005 PolarHBondContact O-N 3.32Å; A1005-G1007 PolarHBondContact O-N 3.25Å; A1005-C1008 HydrophobicContact CB-CB 4.28Å; A1005-C1008 WeakPolarHBondContact O-CB 3.5Å; A1005-C1008 PolarHBondContact O-N 3.18Å
1006	P	81.9	Confident	90.6	Very high	89 Å²	89	39.1 Å²	39.1	58%	0.578	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	110	173.7	-23.5	34	0	0	0	110.4	M1004	M1004-P1006 WeakPolarHBondContact O-CD 3.43Å
1007	G	82.4	Confident	90.4	Very high	38 Å²	38	34.7 Å²	34.7	39%	0.392	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	118.4	0.7	-174.7	0	0	0	0	0	115.2	R944 A1005 E1009	R944-G1007 PolarHBondContact NH1-O 2.73Å; R944-G1007 VanDerWaalsContact NH1-O 3.13Å; A1005-G1007 PolarHBondContact O-N 3.25Å; G1007-E1009 PolarHBondContact O-N 3.42Å
1008	C	85.9	Confident	90.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-70.7	-12.3	172.6	75.6	0	0	0	0	113.9	L949 K1002 A1005 P1010 L1029 A1032 G1034	L949-C1008 HydrophobicContact CD1-CB 4.2Å; K1002-C1008 VanDerWaalsContact CG-SG 3.6Å; A1005-C1008 HydrophobicContact CB-CB 4.28Å; A1005-C1008 WeakPolarHBondContact O-CB 3.5Å; A1005-C1008 PolarHBondContact O-N 3.18Å; C1008-P1010 WeakPolarHBondContact O-CD 3.37Å; C1008-L1029 WeakPolarHBondContact O-CD2 3.48Å; C1008-A1032 WeakPolarHBondContact CB-O 3.18Å; C1008-G1034 PolarHBondContact O-N 3.28Å
1009	E	89.1	Confident	90.4	Very high	31 Å²	31	41.2 Å²	41.2	15%	0.145	23%	0.234	C	C	.	.	S	Bend	trans	-118.4	88.7	-179.5	-173.5	-174.3	-104.9	0	0	111.3	W998 K1002 G1007 R1014	W998-E1009 HydrophobicContact CH2-CB 4.09Å; W998-E1009 HydrophobicContact CZ2-CB 3.69Å; W998-E1009 HydrophobicContact CZ2-CG 3.76Å; W998-E1009 PolarHBondContact NE1-OE1 2.67Å; K1002-E1009 HydrophobicContact CD-CB 4.25Å; K1002-E1009 IonicContact NZ-OE1 3.04Å; G1007-E1009 PolarHBondContact O-N 3.42Å; E1009-R1014 HydrophobicContact CG-CB 3.96Å; E1009-R1014 IonicContact OE2-CZ 2.76Å; E1009-R1014 IonicContact OE2-NE 2.78Å; E1009-R1014 PolarHBondContact OE2-NE 3.29Å; E1009-R1014 IonicContact OE2-NH2 3.11Å; E1009-R1014 PolarHBondContact OE2-NH2 3.38Å
1010	P	85.3	Confident	90.4	Very high	28 Å²	28	37.3 Å²	37.3	18%	0.182	22%	0.215	C	C	.	.			trans	-63.4	155.8	169.9	-19.4	30.6	0	0	0	111.9	C1008 S1012 V1013 R1014 G1034	C1008-P1010 WeakPolarHBondContact O-CD 3.37Å; P1010-S1012 VanDerWaalsContact C-N 3.28Å; P1010-S1012 PolarHBondContact O-N 3.29Å; P1010-S1012 VanDerWaalsContact O-N 3.16Å; P1010-V1013 HydrophobicContact CB-CG2 4.4Å; P1010-V1013 HydrophobicContact CG-CG2 4.17Å; P1010-V1013 WeakPolarHBondContact O-CB 3.4Å; P1010-V1013 PolarHBondContact O-N 2.76Å; P1010-R1014 PolarHBondContact O-N 3.06Å; P1010-G1034 VanDerWaalsContact CG-O 3.3Å; P1010-G1034 WeakPolarHBondContact CG-O 3.5Å
1011	A	86.8	Confident	90.4	Very high	78 Å²	78	43.8 Å²	43.8	65%	0.645	24%	0.24	S	C	*	.	H	α-helix	trans	-54.1	-38.7	-178.1	0	0	0	0	0	114.2	R1014 T1015	A1011-R1014 PolarHBondContact O-N 3.31Å; A1011-T1015 PolarHBondContact O-N 2.84Å; A1011-T1015 PolarHBondContact O-OG1 3Å
1012	S	85.8	Confident	90.5	Very high	26 Å²	26	48.2 Å²	48.2	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-36.8	176.8	56.4	0	0	0	0	112.8	K942 P1010 T1015 M1016	K942-S1012 WeakPolarHBondContact CD-OG 3.36Å; K942-S1012 VanDerWaalsContact CE-OG 3.32Å; K942-S1012 WeakPolarHBondContact CE-OG 3.41Å; K942-S1012 PolarHBondContact NZ-OG 3.26Å; P1010-S1012 VanDerWaalsContact C-N 3.28Å; P1010-S1012 PolarHBondContact O-N 3.29Å; P1010-S1012 VanDerWaalsContact O-N 3.16Å; S1012-T1015 PolarHBondContact O-N 3.44Å; S1012-M1016 WeakPolarHBondContact O-CB 3.48Å; S1012-M1016 PolarHBondContact O-N 3.2Å
1013	V	88.4	Confident	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69	-42.5	175.5	176.7	0	0	0	0	110	T940 P1010 T1015 M1016 M1017 L1029	T940-V1013 HydrophobicContact CG2-CG2 4.27Å; P1010-V1013 HydrophobicContact CB-CG2 4.4Å; P1010-V1013 HydrophobicContact CG-CG2 4.17Å; P1010-V1013 WeakPolarHBondContact O-CB 3.4Å; P1010-V1013 PolarHBondContact O-N 2.76Å; V1013-T1015 VanDerWaalsContact C-N 3.33Å; V1013-T1015 PolarHBondContact O-N 3.18Å; V1013-M1016 WeakPolarHBondContact O-CB 3.29Å; V1013-M1016 PolarHBondContact O-N 3.26Å; V1013-M1017 HydrophobicContact CG1-CG 4.18Å; V1013-M1017 HydrophobicContact CG1-SD 3.86Å; V1013-M1017 WeakPolarHBondContact O-CB 3.48Å; V1013-M1017 WeakPolarHBondContact O-CG 3.49Å; V1013-M1017 PolarHBondContact O-N 2.9Å; V1013-L1029 HydrophobicContact CG1-CD1 4.19Å; V1013-L1029 HydrophobicContact CG1-CD2 4.26Å
1014	R	91.5	Very high	90.9	Very high	121 Å²	121	43.1 Å²	43.1	46%	0.457	25%	0.245	S	C	.	.	H	α-helix	trans	-54.9	-50.3	173.8	-179.7	176.5	-62.8	-167	1.4	111.4	E1009 P1010 A1011 M1016 M1017 E1018	E1009-R1014 HydrophobicContact CG-CB 3.96Å; E1009-R1014 IonicContact OE2-CZ 2.76Å; E1009-R1014 IonicContact OE2-NE 2.78Å; E1009-R1014 PolarHBondContact OE2-NE 3.29Å; E1009-R1014 IonicContact OE2-NH2 3.11Å; E1009-R1014 PolarHBondContact OE2-NH2 3.38Å; P1010-R1014 PolarHBondContact O-N 3.06Å; A1011-R1014 PolarHBondContact O-N 3.31Å; R1014-M1016 VanDerWaalsContact C-N 3.32Å; R1014-M1016 PolarHBondContact O-N 2.73Å; R1014-M1017 PolarHBondContact O-N 3.28Å; R1014-E1018 HydrophobicContact CG-CG 4.31Å; R1014-E1018 VanDerWaalsContact CG-OE1 3.29Å; R1014-E1018 WeakPolarHBondContact CG-OE1 3.23Å; R1014-E1018 WeakPolarHBondContact O-CB 3.5Å; R1014-E1018 WeakPolarHBondContact O-CG 3.46Å; R1014-E1018 PolarHBondContact O-N 3.49Å
1015	T	92.1	Very high	91.1	Very high	55 Å²	55	44.5 Å²	44.5	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-45.3	179.2	-53.7	0	0	0	0	111.2	A1011 S1012 V1013 E1018 A1019 T1058 L1061	A1011-T1015 PolarHBondContact O-N 2.84Å; A1011-T1015 PolarHBondContact O-OG1 3Å; S1012-T1015 PolarHBondContact O-N 3.44Å; V1013-T1015 VanDerWaalsContact C-N 3.33Å; V1013-T1015 PolarHBondContact O-N 3.18Å; T1015-E1018 PolarHBondContact O-N 2.91Å; T1015-A1019 WeakPolarHBondContact O-CB 3.24Å; T1015-A1019 PolarHBondContact O-N 2.79Å; T1015-T1058 HydrophobicContact CG2-CG2 3.84Å; T1015-L1061 HydrophobicContact CG2-CD2 4.38Å
1016	M	93.1	Very high	91.4	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-49	176.2	179.5	174.8	-70.9	0	0	112.1	V938 T940 S1012 V1013 R1014 A1019 L1020 L1038 L1055 L1061 F1064	V938-M1016 HydrophobicContact CG1-CE 4.26Å; V938-M1016 HydrophobicContact CG1-SD 3.82Å; T940-M1016 HydrophobicContact CG2-SD 3.98Å; S1012-M1016 WeakPolarHBondContact O-CB 3.48Å; S1012-M1016 PolarHBondContact O-N 3.2Å; V1013-M1016 WeakPolarHBondContact O-CB 3.29Å; V1013-M1016 PolarHBondContact O-N 3.26Å; R1014-M1016 VanDerWaalsContact C-N 3.32Å; R1014-M1016 PolarHBondContact O-N 2.73Å; M1016-A1019 PolarHBondContact O-N 3.23Å; M1016-L1020 HydrophobicContact CG-CD1 3.97Å; M1016-L1020 WeakPolarHBondContact O-CB 3.31Å; M1016-L1020 VanDerWaalsContact O-CG 3.28Å; M1016-L1020 WeakPolarHBondContact O-CG 3.49Å; M1016-L1020 PolarHBondContact O-N 2.74Å; M1016-L1038 HydrophobicContact CG-CD2 4.13Å; M1016-L1038 HydrophobicContact SD-CD2 4.08Å; M1016-L1055 HydrophobicContact CB-CD2 4.47Å; M1016-L1055 HydrophobicContact CE-CD2 4.4Å; M1016-L1055 HydrophobicContact CG-CD2 3.6Å; M1016-L1055 HydrophobicContact SD-CD2 4.49Å; M1016-L1061 HydrophobicContact CB-CD1 4.06Å; M1016-L1061 HydrophobicContact CB-CD2 4.33Å; M1016-L1061 HydrophobicContact CE-CD1 4.25Å; M1016-L1061 HydrophobicContact CG-CD1 4.45Å; M1016-F1064 HydrophobicContact CE-CB 4.05Å; M1016-F1064 HydrophobicContact CE-CG 4.44Å
1017	M	93.8	Very high	92.1	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-38.9	-179.8	-68.8	-177.4	80.5	0	0	112.1	W998 V1013 R1014 L1020 R1021 Q1027 L1038	W998-M1017 VanDerWaalsContact CD1-CE 3.48Å; W998-M1017 HydrophobicContact CD2-CE 3.92Å; W998-M1017 HydrophobicContact CD2-SD 4.42Å; W998-M1017 VanDerWaalsContact CE2-SD 3.59Å; W998-M1017 HydrophobicContact CG-CE 3.88Å; W998-M1017 HydrophobicContact CH2-SD 4.43Å; W998-M1017 HydrophobicContact CZ2-CE 4.18Å; W998-M1017 HydrophobicContact CZ2-SD 3.58Å; W998-M1017 VanDerWaalsContact CZ2-SD 3.58Å; W998-M1017 VanDerWaalsContact NE1-CE 3.31Å; V1013-M1017 HydrophobicContact CG1-CG 4.18Å; V1013-M1017 HydrophobicContact CG1-SD 3.86Å; V1013-M1017 WeakPolarHBondContact O-CB 3.48Å; V1013-M1017 WeakPolarHBondContact O-CG 3.49Å; V1013-M1017 PolarHBondContact O-N 2.9Å; R1014-M1017 PolarHBondContact O-N 3.28Å; M1017-L1020 PolarHBondContact O-N 3.43Å; M1017-R1021 PolarHBondContact O-N 2.61Å; M1017-Q1027 HydrophobicContact CE-CB 4.2Å; M1017-Q1027 HydrophobicContact CE-CG 3.63Å; M1017-Q1027 PolarHBondContact O-NE2 2.99Å; M1017-L1038 HydrophobicContact CE-CD1 3.9Å; M1017-L1038 HydrophobicContact CG-CD1 3.76Å; M1017-L1038 HydrophobicContact CG-CD2 4.03Å; M1017-L1038 HydrophobicContact SD-CD1 3.86Å
1018	E	94.8	Very high	92.7	Very high	120 Å²	120	38.8 Å²	38.8	56%	0.561	21%	0.207	S	C	*	.	H	α-helix	trans	-62.9	-43.8	175.6	-76	173	-179.9	0	0	111.6	R1014 T1015 L1020 R1021	R1014-E1018 HydrophobicContact CG-CG 4.31Å; R1014-E1018 VanDerWaalsContact CG-OE1 3.29Å; R1014-E1018 WeakPolarHBondContact CG-OE1 3.23Å; R1014-E1018 WeakPolarHBondContact O-CB 3.5Å; R1014-E1018 WeakPolarHBondContact O-CG 3.46Å; R1014-E1018 PolarHBondContact O-N 3.49Å; T1015-E1018 PolarHBondContact O-N 2.91Å; E1018-L1020 VanDerWaalsContact C-N 3.35Å; E1018-L1020 PolarHBondContact O-N 2.8Å; E1018-R1021 WeakPolarHBondContact O-CB 3.24Å; E1018-R1021 PolarHBondContact O-N 3.44Å
1019	A	95.2	Very high	93	Very high	26 Å²	26	38.8 Å²	38.8	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-37.5	177	0	0	0	0	0	112.9	T1015 M1016 P1022 T1054 T1058	T1015-A1019 WeakPolarHBondContact O-CB 3.24Å; T1015-A1019 PolarHBondContact O-N 2.79Å; M1016-A1019 PolarHBondContact O-N 3.23Å; A1019-P1022 WeakPolarHBondContact O-CD 3.17Å; A1019-T1054 HydrophobicContact CB-CG2 4.27Å; A1019-T1054 WeakPolarHBondContact O-CG2 3.35Å; A1019-T1058 HydrophobicContact CB-CG2 4.03Å; A1019-T1058 WeakPolarHBondContact CB-OG1 3.06Å
1020	L	96.1	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-80.4	-15.3	-179.5	-68.9	173	0	0	0	114	M1016 M1017 E1018 P1022 L1023 L1038 L1040 V1051 T1054 L1055	M1016-L1020 HydrophobicContact CG-CD1 3.97Å; M1016-L1020 WeakPolarHBondContact O-CB 3.31Å; M1016-L1020 VanDerWaalsContact O-CG 3.28Å; M1016-L1020 WeakPolarHBondContact O-CG 3.49Å; M1016-L1020 PolarHBondContact O-N 2.74Å; M1017-L1020 PolarHBondContact O-N 3.43Å; E1018-L1020 VanDerWaalsContact C-N 3.35Å; E1018-L1020 PolarHBondContact O-N 2.8Å; L1020-P1022 VanDerWaalsContact C-N 3.32Å; L1020-P1022 VanDerWaalsContact O-N 3.16Å; L1020-L1023 PolarHBondContact O-N 2.91Å; L1020-L1038 HydrophobicContact CD1-CD2 3.8Å; L1020-L1040 HydrophobicContact CD1-CD1 3.76Å; L1020-L1040 HydrophobicContact CD1-CD2 3.91Å; L1020-L1040 HydrophobicContact CD1-CG 4.47Å; L1020-L1040 HydrophobicContact CD2-CD1 4.47Å; L1020-V1051 HydrophobicContact CD2-CB 4.32Å; L1020-V1051 HydrophobicContact CD2-CG1 3.82Å; L1020-V1051 HydrophobicContact CD2-CG2 4.32Å; L1020-T1054 HydrophobicContact CD2-CG2 4.43Å; L1020-L1055 HydrophobicContact CD1-CD1 4.46Å; L1020-L1055 HydrophobicContact CD1-CD2 3.91Å; L1020-L1055 HydrophobicContact CD1-CG 4.5Å; L1020-L1055 HydrophobicContact CD2-CD2 3.88Å; L1020-L1055 HydrophobicContact CD2-CG 4.01Å; L1020-L1055 HydrophobicContact CG-CD2 3.77Å; L1020-L1055 HydrophobicContact CG-CG 4.42Å
1021	R	95.9	Very high	93.1	Very high	142 Å²	142	36.5 Å²	36.5	54%	0.536	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-52.6	-38	-173	-163.9	156.6	-172.3	154.5	3.1	115.1	M1017 E1018 L1023	M1017-R1021 PolarHBondContact O-N 2.61Å; E1018-R1021 WeakPolarHBondContact O-CB 3.24Å; E1018-R1021 PolarHBondContact O-N 3.44Å; R1021-L1023 VanDerWaalsContact C-N 3.26Å; R1021-L1023 PolarHBondContact O-N 2.83Å
1022	P	96.1	Very high	92.8	Very high	97 Å²	97	33.4 Å²	33.4	63%	0.63	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-66.5	-24.1	175.9	-22.3	35.3	0	0	0	114.3	A1019 L1020 R1043	A1019-P1022 WeakPolarHBondContact O-CD 3.17Å; L1020-P1022 VanDerWaalsContact C-N 3.32Å; L1020-P1022 VanDerWaalsContact O-N 3.16Å; P1022-R1043 WeakPolarHBondContact O-CD 3.28Å
1023	L	96.3	Very high	92.6	Very high	35 Å²	35	32.6 Å²	32.6	18%	0.183	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-93.5	-7	-174.8	-61.5	-178.7	0	0	0	113.7	L1020 R1021 T1042 R1043 Q1047 A1050 V1051 T1054	L1020-L1023 PolarHBondContact O-N 2.91Å; R1021-L1023 VanDerWaalsContact C-N 3.26Å; R1021-L1023 PolarHBondContact O-N 2.83Å; L1023-T1042 CarbonylContact O-C 3.53Å; L1023-T1042 WeakPolarHBondContact O-CA 3.44Å; L1023-R1043 PolarHBondContact O-N 3.33Å; L1023-Q1047 PolarHBondContact O-OE1 3.31Å; L1023-A1050 HydrophobicContact CD1-CB 4.31Å; L1023-V1051 HydrophobicContact CD1-CG2 4.44Å; L1023-T1054 WeakPolarHBondContact CD1-OG1 3.45Å
1024	V	97.1	Very high	92.1	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	147.1	-171.5	-58.6	0	0	0	0	113.3	Q1027 L1040 L1041 R1043	V1024-Q1027 HydrophobicContact CG2-CB 4.26Å; V1024-Q1027 HydrophobicContact CG2-CG 3.97Å; V1024-L1040 HydrophobicContact CG1-CB 4.02Å; V1024-L1040 HydrophobicContact CG1-CD2 4.18Å; V1024-L1040 HydrophobicContact CG1-CG 4.47Å; V1024-L1041 CarbonylContact C-O 3.43Å; V1024-L1041 VanDerWaalsContact CA-O 3.28Å; V1024-L1041 WeakPolarHBondContact CA-O 3.37Å; V1024-L1041 WeakPolarHBondContact CB-O 3.33Å; V1024-R1043 PolarHBondContact O-NE 2.94Å; V1024-R1043 VanDerWaalsContact O-NE 3.1Å; V1024-R1043 PolarHBondContact O-NH2 3.39Å
1025	L	96.3	Very high	91.7	Very high	31 Å²	31	27.2 Å²	27.2	16%	0.162	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-31.2	164.3	-67.3	173.3	0	0	0	111.4	L987 G991 L1041 R1043	L987-L1025 HydrophobicContact CB-CD1 4.43Å; L987-L1025 HydrophobicContact CD2-CD1 3.86Å; L987-L1025 HydrophobicContact CG-CD1 3.92Å; G991-L1025 CarbonylContact C-O 3.51Å; L1025-L1041 HydrophobicContact CB-CD2 4.16Å; L1025-L1041 HydrophobicContact CB-CG 4.32Å; L1025-L1041 HydrophobicContact CD1-CD2 4.33Å; L1025-L1041 HydrophobicContact CD1-CG 4.4Å; L1025-L1041 PolarHBondContact N-O 3.16Å; L1025-R1043 HydrophobicContact CD2-CG 3.99Å; L1025-R1043 HydrophobicContact CG-CG 4.06Å
1026	G	95.9	Very high	91.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	159.5	173.2	0	0	0	0	0	111.5	D995 L1041	D995-G1026 VanDerWaalsContact OD1-CA 3.23Å; D995-G1026 WeakPolarHBondContact OD1-CA 3.34Å; G1026-L1041 PolarHBondContact N-O 3.5Å; G1026-L1041 PolarHBondContact O-N 2.95Å
1027	Q	96	Very high	91.6	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.028	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	148.4	-179.9	52.2	177.7	-12.4	0	0	111.5	D995 M1017 V1024 Y1039 L1040	D995-Q1027 PolarHBondContact OD1-N 3.17Å; D995-Q1027 VanDerWaalsContact OD1-N 3.13Å; M1017-Q1027 HydrophobicContact CE-CB 4.2Å; M1017-Q1027 HydrophobicContact CE-CG 3.63Å; M1017-Q1027 PolarHBondContact O-NE2 2.99Å; V1024-Q1027 HydrophobicContact CG2-CB 4.26Å; V1024-Q1027 HydrophobicContact CG2-CG 3.97Å; Q1027-Y1039 WeakPolarHBondContact CA-O 3.16Å; Q1027-L1040 HydrophobicContact CB-CD2 3.62Å
1028	S	94.7	Very high	91.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156.3	178	176.6	0	0	0	0	110.8	L994 L1038 Y1039	L994-S1028 VanDerWaalsContact CD1-CB 3.47Å; S1028-L1038 VanDerWaalsContact O-CD1 3.29Å; S1028-L1038 WeakPolarHBondContact O-CD1 3.29Å; S1028-Y1039 VanDerWaalsContact CB-OH 3.27Å; S1028-Y1039 WeakPolarHBondContact CB-OH 3.23Å; S1028-Y1039 PolarHBondContact N-O 3.09Å; S1028-Y1039 VanDerWaalsContact N-O 3.16Å; S1028-Y1039 WeakPolarHBondContact O-CD1 3.46Å; S1028-Y1039 VanDerWaalsContact O-CE1 3.23Å; S1028-Y1039 WeakPolarHBondContact O-CE1 3.38Å; S1028-Y1039 PolarHBondContact O-N 3.49Å; S1028-Y1039 PolarHBondContact OG-OH 3.17Å
1029	L	92.1	Very high	91.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.3	175.5	-160.9	68.5	0	0	0	110.1	T940 W998 K1001 C1008 V1013 G1033 F1037 L1038	T940-L1029 HydrophobicContact CG2-CD1 4.11Å; W998-L1029 HydrophobicContact CE3-CB 4.27Å; W998-L1029 HydrophobicContact CH2-CB 3.69Å; W998-L1029 HydrophobicContact CH2-CD2 4.19Å; W998-L1029 HydrophobicContact CZ3-CB 3.44Å; W998-L1029 VanDerWaalsContact CZ3-CB 3.44Å; K1001-L1029 PolarHBondContact NZ-O 2.86Å; C1008-L1029 WeakPolarHBondContact O-CD2 3.48Å; V1013-L1029 HydrophobicContact CG1-CD1 4.19Å; V1013-L1029 HydrophobicContact CG1-CD2 4.26Å; L1029-G1033 VanDerWaalsContact CD2-CA 3.41Å; L1029-F1037 WeakPolarHBondContact CD1-O 3.42Å; L1029-L1038 HydrophobicContact CD1-CB 4.17Å; L1029-L1038 HydrophobicContact CD1-CD1 4.4Å
1030	A	90.8	Very high	91.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	10%	0.095	C	C	.	.	S	Bend	trans	-68	149.7	-178.8	0	0	0	0	0	112.3	G847 L848 G1033 F1037 Y1039	G847-A1030 CarbonylContact O-C 3.43Å; G847-A1030 WeakPolarHBondContact O-CB 3.29Å; L848-A1030 HydrophobicContact CD2-CB 3.87Å; A1030-G1033 PolarHBondContact O-N 2.8Å; A1030-F1037 HydrophobicContact CB-CB 4.39Å; A1030-F1037 VanDerWaalsContact CB-O 3.28Å; A1030-F1037 WeakPolarHBondContact CB-O 3.43Å; A1030-F1037 PolarHBondContact N-O 2.79Å; A1030-Y1039 HydrophobicContact CB-CD1 4.22Å; A1030-Y1039 HydrophobicContact CB-CE1 4.24Å
1031	G	86.4	Confident	91.6	Very high	10 Å²	10	17.4 Å²	17.4	10%	0.103	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-145.8	178.5	0	0	0	0	0	113.5	G847 K1001 G1033	G847-G1031 VanDerWaalsContact O-CA 3.28Å; G847-G1031 WeakPolarHBondContact O-CA 3.15Å; G847-G1031 PolarHBondContact O-N 2.92Å; K1001-G1031 WeakPolarHBondContact CE-O 3.18Å; K1001-G1031 PolarHBondContact NZ-O 3.05Å; G1031-G1033 PolarHBondContact O-N 3.1Å
1032	A	80.8	Confident	91.7	Very high	14 Å²	14	10.6 Å²	10.6	12%	0.116	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.2	180	0	0	0	0	0	114	W727 A946 L949 C1008	W727-A1032 HydrophobicContact CH2-CB 3.83Å; W727-A1032 HydrophobicContact CZ2-CB 3.58Å; A946-A1032 HydrophobicContact CB-CB 3.53Å; L949-A1032 HydrophobicContact CD1-CB 4.3Å; L949-A1032 WeakPolarHBondContact CD1-O 3.33Å; C1008-A1032 WeakPolarHBondContact CB-O 3.18Å
1033	G	82.5	Confident	91.7	Very high	9 Å²	9	12.2 Å²	12.2	9%	0.093	6%	0.063	C	C	.	.			trans	88	-163.8	-176.1	0	0	0	0	0	114.8	L1029 A1030 G1031 G1035	L1029-G1033 VanDerWaalsContact CD2-CA 3.41Å; A1030-G1033 PolarHBondContact O-N 2.8Å; G1031-G1033 PolarHBondContact O-N 3.1Å; G1033-G1035 VanDerWaalsContact C-N 3.31Å; G1033-G1035 PolarHBondContact O-N 3.33Å
1034	G	77.8	Confident	91.7	Very high	4 Å²	4	16.2 Å²	16.2	4%	0.041	8%	0.081	C	C	.	.	S	Bend	trans	84.9	-4.5	-176.5	0	0	0	0	0	115.4	R944 C1008 P1010	R944-G1034 WeakPolarHBondContact CB-O 3.33Å; C1008-G1034 PolarHBondContact O-N 3.28Å; P1010-G1034 VanDerWaalsContact CG-O 3.3Å; P1010-G1034 WeakPolarHBondContact CG-O 3.5Å
1035	G	82.8	Confident	91.6	Very high	4 Å²	4	18.6 Å²	18.6	4%	0.041	10%	0.097	C	C	.	.	S	Bend	trans	163.1	-164.5	-178.9	0	0	0	0	0	110.2	K942 G1033	K942-G1035 CarbonylContact O-C 3.56Å; K942-G1035 WeakPolarHBondContact O-CA 3.11Å; G1033-G1035 VanDerWaalsContact C-N 3.31Å; G1033-G1035 PolarHBondContact O-N 3.33Å
1036	G	88.6	Confident	91.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	86.3	-141.7	176.1	0	0	0	0	0	112.6	S846 T940 K942	S846-G1036 WeakPolarHBondContact O-CA 3.47Å; T940-G1036 WeakPolarHBondContact CB-O 3.35Å; T940-G1036 VanDerWaalsContact CG2-O 3.31Å; T940-G1036 WeakPolarHBondContact CG2-O 3.25Å; T940-G1036 PolarHBondContact N-O 3.39Å; T940-G1036 PolarHBondContact OG1-N 2.88Å; T940-G1036 PolarHBondContact OG1-O 3.42Å; K942-G1036 PolarHBondContact O-N 3.12Å
1037	F	92.9	Very high	91.4	Very high	5 Å²	5	28 Å²	28	2%	0.022	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135	178.7	-76.2	-89.5	0	0	0	112.7	L842 P843 S846 L848 L937 V938 Y939 L1029 A1030 H1067	L842-F1037 HydrophobicContact CD2-CE2 4.26Å; L842-F1037 HydrophobicContact CD2-CZ 4.41Å; P843-F1037 HydrophobicContact CG-CE2 4.21Å; S846-F1037 PolarHBondContact O-N 2.71Å; L848-F1037 HydrophobicContact CD1-CB 4.41Å; L848-F1037 HydrophobicContact CD1-CD2 3.55Å; L848-F1037 HydrophobicContact CD1-CE2 3.89Å; L848-F1037 HydrophobicContact CD1-CG 3.97Å; L848-F1037 HydrophobicContact CD2-CB 4.36Å; L848-F1037 HydrophobicContact CG-CB 4.35Å; L848-F1037 HydrophobicContact CG-CD2 4.01Å; L848-F1037 HydrophobicContact CG-CG 4.39Å; L937-F1037 HydrophobicContact CB-CD1 3.91Å; L937-F1037 HydrophobicContact CB-CE1 4.36Å; L937-F1037 HydrophobicContact CD2-CB 3.96Å; L937-F1037 HydrophobicContact CD2-CD1 4.19Å; L937-F1037 HydrophobicContact CD2-CG 4.35Å; L937-F1037 HydrophobicContact CG-CD1 4.45Å; V938-F1037 CarbonylContact O-C 3.57Å; V938-F1037 WeakPolarHBondContact O-CA 3.17Å; Y939-F1037 HydrophobicContact CD2-CD1 4.49Å; Y939-F1037 HydrophobicContact CD2-CD2 4.05Å; Y939-F1037 HydrophobicContact CD2-CE1 4.31Å; Y939-F1037 AromaticContact CD2-CE2 3.82Å; Y939-F1037 HydrophobicContact CD2-CE2 3.82Å; Y939-F1037 HydrophobicContact CD2-CG 4.38Å; Y939-F1037 AromaticContact CD2-CZ 3.97Å; Y939-F1037 HydrophobicContact CD2-CZ 3.97Å; Y939-F1037 HydrophobicContact CG-CE1 4.37Å; Y939-F1037 HydrophobicContact CG-CZ 4.27Å; L1029-F1037 WeakPolarHBondContact CD1-O 3.42Å; A1030-F1037 HydrophobicContact CB-CB 4.39Å; A1030-F1037 VanDerWaalsContact CB-O 3.28Å; A1030-F1037 WeakPolarHBondContact CB-O 3.43Å; A1030-F1037 PolarHBondContact N-O 2.79Å; F1037-H1067 AromaticContact CE1-CD2 3.6Å; F1037-H1067 AromaticContact CE1-NE2 3.92Å
1038	L	93.1	Very high	91.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	134.9	161	-178.8	73.9	0	0	0	107.9	L937 V938 T940 M1016 M1017 L1020 S1028 L1029 L1040	L937-L1038 CarbonylContact C-O 3.6Å; L937-L1038 WeakPolarHBondContact CA-O 3.5Å; V938-L1038 HydrophobicContact CB-CB 4.3Å; V938-L1038 PolarHBondContact N-O 2.77Å; V938-L1038 PolarHBondContact O-N 3.06Å; T940-L1038 HydrophobicContact CG2-CB 4.36Å; M1016-L1038 HydrophobicContact CG-CD2 4.13Å; M1016-L1038 HydrophobicContact SD-CD2 4.08Å; M1017-L1038 HydrophobicContact CE-CD1 3.9Å; M1017-L1038 HydrophobicContact CG-CD1 3.76Å; M1017-L1038 HydrophobicContact CG-CD2 4.03Å; M1017-L1038 HydrophobicContact SD-CD1 3.86Å; L1020-L1038 HydrophobicContact CD1-CD2 3.8Å; S1028-L1038 VanDerWaalsContact O-CD1 3.29Å; S1028-L1038 WeakPolarHBondContact O-CD1 3.29Å; L1029-L1038 HydrophobicContact CD1-CB 4.17Å; L1029-L1038 HydrophobicContact CD1-CD1 4.4Å; L1038-L1040 HydrophobicContact CD2-CD2 3.56Å; L1038-L1040 HydrophobicContact CD2-CG 4.5Å; L1038-L1040 HydrophobicContact CG-CD2 3.71Å
1039	Y	93.9	Very high	91.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.4	170.4	54.3	-74.8	0	0	0	109.9	L721 D722 L936 L994 Q1027 S1028 A1030	L721-Y1039 HydrophobicContact CB-CD2 4.48Å; L721-Y1039 HydrophobicContact CD1-CG 4.44Å; L721-Y1039 HydrophobicContact CD2-CD1 4.14Å; L721-Y1039 HydrophobicContact CD2-CG 4.13Å; D722-Y1039 WeakPolarHBondContact O-CE2 3.32Å; D722-Y1039 PolarHBondContact O-OH 3.31Å; L936-Y1039 VanDerWaalsContact O-CA 3.32Å; L936-Y1039 WeakPolarHBondContact O-CA 3.48Å; L994-Y1039 HydrophobicContact CD1-CD2 4.17Å; L994-Y1039 HydrophobicContact CD1-CE2 3.31Å; L994-Y1039 HydrophobicContact CD2-CD2 4.32Å; L994-Y1039 HydrophobicContact CD2-CE2 4.24Å; L994-Y1039 HydrophobicContact CG-CE2 4.41Å; Q1027-Y1039 WeakPolarHBondContact CA-O 3.16Å; S1028-Y1039 VanDerWaalsContact CB-OH 3.27Å; S1028-Y1039 WeakPolarHBondContact CB-OH 3.23Å; S1028-Y1039 PolarHBondContact N-O 3.09Å; S1028-Y1039 VanDerWaalsContact N-O 3.16Å; S1028-Y1039 WeakPolarHBondContact O-CD1 3.46Å; S1028-Y1039 VanDerWaalsContact O-CE1 3.23Å; S1028-Y1039 WeakPolarHBondContact O-CE1 3.38Å; S1028-Y1039 PolarHBondContact O-N 3.49Å; S1028-Y1039 PolarHBondContact OG-OH 3.17Å; A1030-Y1039 HydrophobicContact CB-CD1 4.22Å; A1030-Y1039 HydrophobicContact CB-CE1 4.24Å
1040	L	96.6	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.3	-171.8	-53.3	179.5	0	0	0	109	L935 L936 V938 L1020 V1024 Q1027 L1038 V1051	L935-L1040 WeakPolarHBondContact CA-O 3.38Å; L936-L1040 HydrophobicContact CB-CB 4.47Å; L936-L1040 PolarHBondContact N-O 3.27Å; L936-L1040 PolarHBondContact O-N 3.03Å; V938-L1040 HydrophobicContact CG2-CD1 3.69Å; V938-L1040 HydrophobicContact CG2-CG 4.27Å; L1020-L1040 HydrophobicContact CD1-CD1 3.76Å; L1020-L1040 HydrophobicContact CD1-CD2 3.91Å; L1020-L1040 HydrophobicContact CD1-CG 4.47Å; L1020-L1040 HydrophobicContact CD2-CD1 4.47Å; V1024-L1040 HydrophobicContact CG1-CB 4.02Å; V1024-L1040 HydrophobicContact CG1-CD2 4.18Å; V1024-L1040 HydrophobicContact CG1-CG 4.47Å; Q1027-L1040 HydrophobicContact CB-CD2 3.62Å; L1038-L1040 HydrophobicContact CD2-CD2 3.56Å; L1038-L1040 HydrophobicContact CD2-CG 4.5Å; L1038-L1040 HydrophobicContact CG-CD2 3.71Å; L1040-V1051 HydrophobicContact CD1-CG1 3.81Å; L1040-V1051 HydrophobicContact CD1-CG2 4.04Å
1041	L	97.4	Very high	91.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	100.7	163.2	-168.5	68.2	0	0	0	107.5	L931 H934 L987 L990 L994 V1024 L1025 G1026	L931-L1041 HydrophobicContact CD1-CD1 3.72Å; H934-L1041 HydrophobicContact CB-CD1 4.03Å; L987-L1041 HydrophobicContact CD1-CD1 3.85Å; L987-L1041 HydrophobicContact CD1-CD2 4.22Å; L987-L1041 HydrophobicContact CD1-CG 4.42Å; L987-L1041 HydrophobicContact CG-CD1 4.29Å; L987-L1041 HydrophobicContact CG-CD2 4.12Å; L987-L1041 HydrophobicContact CG-CG 4.37Å; L990-L1041 HydrophobicContact CB-CD2 4.32Å; L990-L1041 HydrophobicContact CD2-CD2 4.11Å; L990-L1041 HydrophobicContact CG-CD2 4.02Å; L994-L1041 HydrophobicContact CD2-CB 4.22Å; V1024-L1041 CarbonylContact C-O 3.43Å; V1024-L1041 VanDerWaalsContact CA-O 3.28Å; V1024-L1041 WeakPolarHBondContact CA-O 3.37Å; V1024-L1041 WeakPolarHBondContact CB-O 3.33Å; L1025-L1041 HydrophobicContact CB-CD2 4.16Å; L1025-L1041 HydrophobicContact CB-CG 4.32Å; L1025-L1041 HydrophobicContact CD1-CD2 4.33Å; L1025-L1041 HydrophobicContact CD1-CG 4.4Å; L1025-L1041 PolarHBondContact N-O 3.16Å; G1026-L1041 PolarHBondContact N-O 3.5Å; G1026-L1041 PolarHBondContact O-N 2.95Å
1042	T	97.5	Very high	92	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	160.1	-175.3	62.6	0	0	0	0	111.8	H934 L936 L1023 E1044 Q1047 V1051	H934-T1042 VanDerWaalsContact CA-OG1 3.31Å; H934-T1042 WeakPolarHBondContact CA-OG1 3.49Å; H934-T1042 PolarHBondContact CD2-O 3Å; H934-T1042 VanDerWaalsContact CD2-O 3.25Å; H934-T1042 PolarHBondContact O-N 3.03Å; H934-T1042 PolarHBondContact O-OG1 2.79Å; H934-T1042 VanDerWaalsContact O-OG1 3.1Å; L936-T1042 HydrophobicContact CD1-CG2 3.84Å; L936-T1042 HydrophobicContact CG-CG2 4.42Å; L1023-T1042 CarbonylContact O-C 3.53Å; L1023-T1042 WeakPolarHBondContact O-CA 3.44Å; T1042-E1044 WeakPolarHBondContact CB-O 3.43Å; T1042-E1044 PolarHBondContact OG1-O 3.35Å; T1042-Q1047 HydrophobicContact CG2-CB 4.03Å; T1042-V1051 HydrophobicContact CG2-CG2 4.34Å
1043	R	95.7	Very high	92.7	Very high	130 Å²	130	45.9 Å²	45.9	49%	0.491	22%	0.215	S	C	.	.	S	Bend	trans	-77.3	-42.2	177.3	-74.8	-175.1	172.6	-83.6	-7.1	112.6	P1022 L1023 V1024 L1025	P1022-R1043 WeakPolarHBondContact O-CD 3.28Å; L1023-R1043 PolarHBondContact O-N 3.33Å; V1024-R1043 PolarHBondContact O-NE 2.94Å; V1024-R1043 VanDerWaalsContact O-NE 3.1Å; V1024-R1043 PolarHBondContact O-NH2 3.39Å; L1025-R1043 HydrophobicContact CD2-CG 3.99Å; L1025-R1043 HydrophobicContact CG-CG 4.06Å
1044	E	96.5	Very high	93.3	Very high	119 Å²	119	47.4 Å²	47.4	56%	0.556	22%	0.222	S	C	*	.	S	Bend	trans	-108.2	153.7	175.8	-54.2	-62.4	146.3	0	0	109.5	H934 T1042 Q1047	H934-E1044 PolarHBondContact CD2-O 2.87Å; T1042-E1044 WeakPolarHBondContact CB-O 3.43Å; T1042-E1044 PolarHBondContact OG1-O 3.35Å; E1044-Q1047 HydrophobicContact CB-CG 3.82Å; E1044-Q1047 VanDerWaalsContact N-OE1 3.16Å; E1044-Q1047 WeakPolarHBondContact O-CG 3.46Å; E1044-Q1047 PolarHBondContact O-OE1 3.44Å
1045	P	95.8	Very high	94.1	Very high	56 Å²	56	47.2 Å²	47.2	36%	0.364	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	147.7	178.3	26.7	-33.9	0	0	0	111.1	Q933 H934 Q1047	Q933-P1045 HydrophobicContact CB-CB 3.82Å; H934-P1045 WeakPolarHBondContact NE2-CD 3.21Å; P1045-Q1047 PolarHBondContact O-N 3.21Å
1046	R	93.2	Very high	94.6	Very high	193 Å²	193	54.9 Å²	54.9	73%	0.728	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	38.5	171.5	-52.1	-179.1	-169.2	-165	0.7	114.3	Q933 Q1048	Q933-R1046 HydrophobicContact CB-CG 4.47Å; Q933-R1046 PolarHBondContact O-N 3.46Å; R1046-Q1048 PolarHBondContact O-N 3.37Å; R1046-Q1048 VanDerWaalsContact O-N 3.14Å
1047	Q	94	Very high	94.7	Very high	35 Å²	35	60.5 Å²	60.5	16%	0.164	28%	0.278	C	S	.	.			trans	-80	21.5	-178	-79.1	-169.7	-49.1	0	0	115.8	L1023 T1042 E1044 P1045 E1049 A1050 V1051	L1023-Q1047 PolarHBondContact O-OE1 3.31Å; T1042-Q1047 HydrophobicContact CG2-CB 4.03Å; E1044-Q1047 HydrophobicContact CB-CG 3.82Å; E1044-Q1047 VanDerWaalsContact N-OE1 3.16Å; E1044-Q1047 WeakPolarHBondContact O-CG 3.46Å; E1044-Q1047 PolarHBondContact O-OE1 3.44Å; P1045-Q1047 PolarHBondContact O-N 3.21Å; Q1047-E1049 VanDerWaalsContact C-N 3.34Å; Q1047-E1049 PolarHBondContact O-N 3.18Å; Q1047-A1050 HydrophobicContact CB-CB 4.36Å; Q1047-A1050 PolarHBondContact O-N 3.35Å; Q1047-A1050 VanDerWaalsContact O-N 3.09Å; Q1047-V1051 PolarHBondContact O-N 2.95Å
1048	Q	93.4	Very high	94.7	Very high	86 Å²	86	61.4 Å²	61.4	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-54.2	-45.9	-175.9	-175.7	175.2	-8.6	0	0	113.1	L936 R1046 A1050 V1051 L1052 V1066	L936-Q1048 HydrophobicContact CD1-CB 4.22Å; L936-Q1048 HydrophobicContact CD2-CB 4.19Å; L936-Q1048 HydrophobicContact CD2-CG 4.5Å; R1046-Q1048 PolarHBondContact O-N 3.37Å; R1046-Q1048 VanDerWaalsContact O-N 3.14Å; Q1048-A1050 PolarHBondContact O-N 3.13Å; Q1048-V1051 PolarHBondContact O-N 3.29Å; Q1048-L1052 WeakPolarHBondContact O-CB 3.46Å; Q1048-L1052 PolarHBondContact O-N 3.01Å; Q1048-V1066 HydrophobicContact CG-CB 4.49Å; Q1048-V1066 HydrophobicContact CG-CG1 3.84Å
1049	E	94.6	Very high	94.4	Very high	125 Å²	125	67 Å²	67	58%	0.584	32%	0.32	S	S	*	.	H	α-helix	trans	-68.4	-35.3	180	-170.8	58.3	-148.8	0	0	112.4	Q1047 L1052 K1053	Q1047-E1049 VanDerWaalsContact C-N 3.34Å; Q1047-E1049 PolarHBondContact O-N 3.18Å; E1049-L1052 PolarHBondContact O-N 3.4Å; E1049-K1053 VanDerWaalsContact O-CB 3.29Å; E1049-K1053 WeakPolarHBondContact O-CB 3.17Å; E1049-K1053 PolarHBondContact O-N 3.36Å
1050	A	95.3	Very high	93.8	Very high	35 Å²	35	70.8 Å²	70.8	29%	0.289	36%	0.36	S	S	.	.	H	α-helix	trans	-67.3	-40.9	177.5	0	0	0	0	0	111.6	L1023 Q1047 Q1048 T1054	L1023-A1050 HydrophobicContact CD1-CB 4.31Å; Q1047-A1050 HydrophobicContact CB-CB 4.36Å; Q1047-A1050 PolarHBondContact O-N 3.35Å; Q1047-A1050 VanDerWaalsContact O-N 3.09Å; Q1048-A1050 PolarHBondContact O-N 3.13Å; A1050-T1054 WeakPolarHBondContact O-CB 3.16Å; A1050-T1054 PolarHBondContact O-N 3.49Å; A1050-T1054 PolarHBondContact O-OG1 3.42Å
1051	V	95.6	Very high	93.2	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-60.8	-51.7	172.7	168.8	0	0	0	0	109.8	L936 V938 L1020 L1023 L1040 T1042 Q1047 Q1048 K1053 T1054 L1055 V1066	L936-V1051 HydrophobicContact CD1-CG2 4.05Å; V938-V1051 HydrophobicContact CG2-CG1 4Å; L1020-V1051 HydrophobicContact CD2-CB 4.32Å; L1020-V1051 HydrophobicContact CD2-CG1 3.82Å; L1020-V1051 HydrophobicContact CD2-CG2 4.32Å; L1023-V1051 HydrophobicContact CD1-CG2 4.44Å; L1040-V1051 HydrophobicContact CD1-CG1 3.81Å; L1040-V1051 HydrophobicContact CD1-CG2 4.04Å; T1042-V1051 HydrophobicContact CG2-CG2 4.34Å; Q1047-V1051 PolarHBondContact O-N 2.95Å; Q1048-V1051 PolarHBondContact O-N 3.29Å; V1051-K1053 VanDerWaalsContact C-N 3.34Å; V1051-K1053 PolarHBondContact O-N 3.38Å; V1051-T1054 PolarHBondContact O-N 3.27Å; V1051-L1055 HydrophobicContact CG1-CD1 4.06Å; V1051-L1055 WeakPolarHBondContact O-CG 2.96Å; V1051-L1055 PolarHBondContact O-N 3.33Å; V1051-V1066 HydrophobicContact CG1-CG1 4.4Å; V1051-V1066 HydrophobicContact CG1-CG2 4.18Å
1052	L	94.8	Very high	91.9	Very high	29 Å²	29	74.8 Å²	74.8	15%	0.152	39%	0.393	C	S	.	.	H	α-helix	trans	-56.4	-46.7	179.4	-168.3	86.5	0	0	0	112	Q1048 E1049 L1055 R1056 F1064 V1066	Q1048-L1052 WeakPolarHBondContact O-CB 3.46Å; Q1048-L1052 PolarHBondContact O-N 3.01Å; E1049-L1052 PolarHBondContact O-N 3.4Å; L1052-L1055 PolarHBondContact O-N 3.31Å; L1052-R1056 VanDerWaalsContact CD2-CZ 3.43Å; L1052-R1056 VanDerWaalsContact CD2-NH1 3.33Å; L1052-R1056 WeakPolarHBondContact O-CB 3.49Å; L1052-R1056 WeakPolarHBondContact O-CG 3.45Å; L1052-R1056 PolarHBondContact O-N 2.88Å; L1052-F1064 HydrophobicContact CD1-CE2 4.42Å; L1052-V1066 HydrophobicContact CB-CG2 4.48Å; L1052-V1066 HydrophobicContact CD1-CB 4.38Å; L1052-V1066 HydrophobicContact CD1-CG2 3.8Å
1053	K	94.6	Very high	91.2	Very high	132 Å²	132	81.7 Å²	81.7	57%	0.574	43%	0.43	S	S	*	.	H	α-helix	trans	-62.3	-43.5	178.2	-175.2	179.3	-179.2	-179.3	0	112	E1049 V1051 R1056 N1057	E1049-K1053 VanDerWaalsContact O-CB 3.29Å; E1049-K1053 WeakPolarHBondContact O-CB 3.17Å; E1049-K1053 PolarHBondContact O-N 3.36Å; V1051-K1053 VanDerWaalsContact C-N 3.34Å; V1051-K1053 PolarHBondContact O-N 3.38Å; K1053-R1056 PolarHBondContact O-N 3.12Å; K1053-N1057 WeakPolarHBondContact O-CB 3.24Å; K1053-N1057 PolarHBondContact O-N 3.04Å; K1053-N1057 VanDerWaalsContact O-N 3.1Å; K1053-N1057 PolarHBondContact O-ND2 2.66Å
1054	T	95.7	Very high	90.9	Very high	40 Å²	40	77.5 Å²	77.5	25%	0.245	42%	0.416	C	S	.	.	H	α-helix	trans	-62.7	-45.2	179.2	-58.8	0	0	0	0	111.1	A1019 L1020 L1023 A1050 V1051 N1057 T1058	A1019-T1054 HydrophobicContact CB-CG2 4.27Å; A1019-T1054 WeakPolarHBondContact O-CG2 3.35Å; L1020-T1054 HydrophobicContact CD2-CG2 4.43Å; L1023-T1054 WeakPolarHBondContact CD1-OG1 3.45Å; A1050-T1054 WeakPolarHBondContact O-CB 3.16Å; A1050-T1054 PolarHBondContact O-N 3.49Å; A1050-T1054 PolarHBondContact O-OG1 3.42Å; V1051-T1054 PolarHBondContact O-N 3.27Å; T1054-N1057 PolarHBondContact O-N 3.21Å; T1054-T1058 PolarHBondContact O-N 3.24Å; T1054-T1058 PolarHBondContact O-OG1 3.04Å
1055	L	93.8	Very high	90.7	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-66.6	-42.2	178.8	-64.6	180	0	0	0	112.8	V938 M1016 L1020 V1051 L1052 N1057 T1058 L1061 F1064	V938-L1055 HydrophobicContact CG1-CD1 3.67Å; V938-L1055 HydrophobicContact CG2-CD1 4.36Å; M1016-L1055 HydrophobicContact CB-CD2 4.47Å; M1016-L1055 HydrophobicContact CE-CD2 4.4Å; M1016-L1055 HydrophobicContact CG-CD2 3.6Å; M1016-L1055 HydrophobicContact SD-CD2 4.49Å; L1020-L1055 HydrophobicContact CD1-CD1 4.46Å; L1020-L1055 HydrophobicContact CD1-CD2 3.91Å; L1020-L1055 HydrophobicContact CD1-CG 4.5Å; L1020-L1055 HydrophobicContact CD2-CD2 3.88Å; L1020-L1055 HydrophobicContact CD2-CG 4.01Å; L1020-L1055 HydrophobicContact CG-CD2 3.77Å; L1020-L1055 HydrophobicContact CG-CG 4.42Å; V1051-L1055 HydrophobicContact CG1-CD1 4.06Å; V1051-L1055 WeakPolarHBondContact O-CG 2.96Å; V1051-L1055 PolarHBondContact O-N 3.33Å; L1052-L1055 PolarHBondContact O-N 3.31Å; L1055-N1057 VanDerWaalsContact C-N 3.25Å; L1055-N1057 PolarHBondContact O-N 3.44Å; L1055-T1058 PolarHBondContact O-N 3.11Å; L1055-T1058 VanDerWaalsContact O-N 3.14Å; L1055-L1061 HydrophobicContact CD2-CD1 3.93Å; L1055-F1064 HydrophobicContact CB-CD2 4.08Å; L1055-F1064 HydrophobicContact CB-CE1 3.97Å; L1055-F1064 HydrophobicContact CB-CE2 3.47Å; L1055-F1064 VanDerWaalsContact CB-CE2 3.47Å; L1055-F1064 HydrophobicContact CB-CZ 3.41Å; L1055-F1064 VanDerWaalsContact CB-CZ 3.41Å; L1055-F1064 HydrophobicContact CD1-CD2 3.89Å; L1055-F1064 HydrophobicContact CD1-CE2 4.02Å; L1055-F1064 HydrophobicContact CD1-CG 4.48Å; L1055-F1064 HydrophobicContact CG-CE2 4.4Å
1056	R	92.8	Very high	90.6	Very high	166 Å²	166	72 Å²	72	63%	0.626	39%	0.39	S	S	*	.	H	α-helix	trans	-61.6	-34.5	176.1	-77	178.7	175	163.3	-1.6	112.7	L1052 K1053 T1058 F1064	L1052-R1056 VanDerWaalsContact CD2-CZ 3.43Å; L1052-R1056 VanDerWaalsContact CD2-NH1 3.33Å; L1052-R1056 WeakPolarHBondContact O-CB 3.49Å; L1052-R1056 WeakPolarHBondContact O-CG 3.45Å; L1052-R1056 PolarHBondContact O-N 2.88Å; K1053-R1056 PolarHBondContact O-N 3.12Å; R1056-T1058 VanDerWaalsContact C-N 3.31Å; R1056-F1064 HydrophobicContact CB-CZ 4.47Å; R1056-F1064 HydrophobicContact CG-CE2 4.43Å; R1056-F1064 HydrophobicContact CG-CZ 3.81Å
1057	N	92.6	Very high	90.7	Very high	118 Å²	118	64.4 Å²	64.4	63%	0.631	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.5	179.6	-68.2	-12.9	0	0	0	113.3	K1053 T1054 L1055 P1059	K1053-N1057 WeakPolarHBondContact O-CB 3.24Å; K1053-N1057 PolarHBondContact O-N 3.04Å; K1053-N1057 VanDerWaalsContact O-N 3.1Å; K1053-N1057 PolarHBondContact O-ND2 2.66Å; T1054-N1057 PolarHBondContact O-N 3.21Å; L1055-N1057 VanDerWaalsContact C-N 3.25Å; L1055-N1057 PolarHBondContact O-N 3.44Å; N1057-P1059 WeakPolarHBondContact O-CD 3.3Å
1058	T	91.1	Very high	90.7	Very high	23 Å²	23	64.6 Å²	64.6	14%	0.141	37%	0.369	C	S	.	.	S	Bend	trans	-88.7	116	-179.2	-59	0	0	0	0	109.7	T1015 A1019 T1054 L1055 R1056 L1061	T1015-T1058 HydrophobicContact CG2-CG2 3.84Å; A1019-T1058 HydrophobicContact CB-CG2 4.03Å; A1019-T1058 WeakPolarHBondContact CB-OG1 3.06Å; T1054-T1058 PolarHBondContact O-N 3.24Å; T1054-T1058 PolarHBondContact O-OG1 3.04Å; L1055-T1058 PolarHBondContact O-N 3.11Å; L1055-T1058 VanDerWaalsContact O-N 3.14Å; R1056-T1058 VanDerWaalsContact C-N 3.31Å; T1058-L1061 HydrophobicContact CG2-CD1 3.76Å; T1058-L1061 HydrophobicContact CG2-CG 4.05Å
1059	P	86.9	Confident	90.7	Very high	117 Å²	117	60.9 Å²	60.9	76%	0.76	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	142.2	-178	-20.7	32.3	0	0	0	112.3	N1057	N1057-P1059 WeakPolarHBondContact O-CD 3.3Å
1060	G	81.2	Confident	90.8	Very high	81 Å²	81	58.7 Å²	58.7	84%	0.835	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	3.5	174.7	0	0	0	0	0	115.6
1061	L	84.1	Confident	90.9	Very high	32 Å²	32	57.7 Å²	57.7	17%	0.168	33%	0.331	C	S	.	.			trans	-96.4	129.3	168.4	-56.9	-175.2	0	0	0	110.1	T1015 M1016 L1055 T1058 F1064	T1015-L1061 HydrophobicContact CG2-CD2 4.38Å; M1016-L1061 HydrophobicContact CB-CD1 4.06Å; M1016-L1061 HydrophobicContact CB-CD2 4.33Å; M1016-L1061 HydrophobicContact CE-CD1 4.25Å; M1016-L1061 HydrophobicContact CG-CD1 4.45Å; L1055-L1061 HydrophobicContact CD2-CD1 3.93Å; T1058-L1061 HydrophobicContact CG2-CD1 3.76Å; T1058-L1061 HydrophobicContact CG2-CG 4.05Å; L1061-F1064 HydrophobicContact CB-CD1 4.32Å; L1061-F1064 HydrophobicContact CB-CE1 4.31Å
1062	G	71.5	Confident	90.9	Very high	53 Å²	53	57.7 Å²	57.7	55%	0.546	33%	0.331	S	S	.	.			trans	-139.2	159.2	174.2	0	0	0	0	0	110.9	F1064	G1062-F1064 PolarHBondContact O-N 3.2Å
1063	D	81.3	Confident	90.9	Very high	146 Å²	146	61 Å²	61	78%	0.781	35%	0.347	S	S	*	.	S	Bend	trans	54.3	43.9	176.7	-59	-26.4	0	0	0	116.5	G941	G941-D1063 WeakPolarHBondContact CA-O 3.49Å; G941-D1063 PolarHBondContact N-O 2.86Å
1064	F	90.1	Very high	90.8	Very high	42 Å²	42	60.7 Å²	60.7	18%	0.184	35%	0.348	C	S	.	.			trans	-104.1	154.9	172.1	64.9	-94	0	0	0	112.6	Y939 M1016 L1052 L1055 R1056 L1061 G1062	Y939-F1064 VanDerWaalsContact O-CA 3.22Å; Y939-F1064 WeakPolarHBondContact O-CA 3.32Å; Y939-F1064 VanDerWaalsContact O-CB 3.23Å; Y939-F1064 WeakPolarHBondContact O-CB 3.41Å; M1016-F1064 HydrophobicContact CE-CB 4.05Å; M1016-F1064 HydrophobicContact CE-CG 4.44Å; L1052-F1064 HydrophobicContact CD1-CE2 4.42Å; L1055-F1064 HydrophobicContact CB-CD2 4.08Å; L1055-F1064 HydrophobicContact CB-CE1 3.97Å; L1055-F1064 HydrophobicContact CB-CE2 3.47Å; L1055-F1064 VanDerWaalsContact CB-CE2 3.47Å; L1055-F1064 HydrophobicContact CB-CZ 3.41Å; L1055-F1064 VanDerWaalsContact CB-CZ 3.41Å; L1055-F1064 HydrophobicContact CD1-CD2 3.89Å; L1055-F1064 HydrophobicContact CD1-CE2 4.02Å; L1055-F1064 HydrophobicContact CD1-CG 4.48Å; L1055-F1064 HydrophobicContact CG-CE2 4.4Å; R1056-F1064 HydrophobicContact CB-CZ 4.47Å; R1056-F1064 HydrophobicContact CG-CE2 4.43Å; R1056-F1064 HydrophobicContact CG-CZ 3.81Å; L1061-F1064 HydrophobicContact CB-CD1 4.32Å; L1061-F1064 HydrophobicContact CB-CE1 4.31Å; G1062-F1064 PolarHBondContact O-N 3.2Å
1065	S	91.5	Very high	90.7	Very high	41 Å²	41	58.8 Å²	58.8	29%	0.287	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.4	173.1	54.1	0	0	0	0	111.1	V938 Y939 H1067	V938-S1065 CarbonylContact C-O 3.49Å; V938-S1065 VanDerWaalsContact CA-O 3.29Å; V938-S1065 WeakPolarHBondContact CA-O 3.47Å; Y939-S1065 WeakPolarHBondContact CB-OG 3.39Å; Y939-S1065 PolarHBondContact N-O 3.29Å; Y939-S1065 PolarHBondContact O-N 3.44Å; S1065-H1067 WeakPolarHBondContact CB-NE2 3.49Å; S1065-H1067 PolarHBondContact OG-NE2 3.39Å
1066	V	94.3	Very high	90.8	Very high	17 Å²	17	60 Å²	60	10%	0.103	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.6	179.3	-172.1	0	0	0	0	108.6	L937 V938 Q1048 V1051 L1052	L937-V1066 CarbonylContact O-C 3.48Å; L937-V1066 WeakPolarHBondContact O-CA 3.5Å; V938-V1066 HydrophobicContact CG2-CG1 4.38Å; V938-V1066 HydrophobicContact CG2-CG2 4.23Å; Q1048-V1066 HydrophobicContact CG-CB 4.49Å; Q1048-V1066 HydrophobicContact CG-CG1 3.84Å; V1051-V1066 HydrophobicContact CG1-CG1 4.4Å; V1051-V1066 HydrophobicContact CG1-CG2 4.18Å; L1052-V1066 HydrophobicContact CB-CG2 4.48Å; L1052-V1066 HydrophobicContact CD1-CB 4.38Å; L1052-V1066 HydrophobicContact CD1-CG2 3.8Å
1067	H	94.9	Very high	90.8	Very high	35 Å²	35	53 Å²	53	16%	0.162	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146	-171.8	-60.8	-96.4	0	0	0	110.7	V748 D749 L937 F1037 S1065	V748-H1067 HydrophobicContact CG1-CB 4.07Å; D749-H1067 WeakPolarHBondContact OD1-CA 3.47Å; D749-H1067 WeakPolarHBondContact OD1-CB 3.19Å; D749-H1067 IonicContact OD1-ND1 3.76Å; D749-H1067 IonicContact OD2-CE1 3.74Å; D749-H1067 IonicContact OD2-CG 3.69Å; D749-H1067 IonicContact OD2-ND1 2.76Å; D749-H1067 PolarHBondContact OD2-ND1 2.91Å; L937-H1067 HydrophobicContact CB-CB 4.05Å; L937-H1067 PolarHBondContact N-O 3.1Å; L937-H1067 VanDerWaalsContact N-O 3.13Å; L937-H1067 PolarHBondContact O-N 3.19Å; F1037-H1067 AromaticContact CE1-CD2 3.6Å; F1037-H1067 AromaticContact CE1-NE2 3.92Å; S1065-H1067 WeakPolarHBondContact CB-NE2 3.49Å; S1065-H1067 PolarHBondContact OG-NE2 3.39Å
1068	S	94	Very high	90.7	Very high	39 Å²	39	50.8 Å²	50.8	27%	0.273	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	152.3	174.6	65.9	0	0	0	0	110.9	D749	D749-S1068 PolarHBondContact N-O 3.19Å; D749-S1068 VanDerWaalsContact N-O 3.09Å; D749-S1068 PolarHBondContact OD1-N 3.42Å
1069	V	95	Very high	90.4	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126	-177.4	-170.9	0	0	0	0	108.7	L721 V746 L935 L937	L721-V1069 HydrophobicContact CD1-CG1 4.34Å; V746-V1069 HydrophobicContact CB-CG1 3.57Å; V746-V1069 HydrophobicContact CG1-CG1 3.52Å; V746-V1069 HydrophobicContact CG2-CG1 4.12Å; L935-V1069 HydrophobicContact CB-CB 4.39Å; L935-V1069 HydrophobicContact CD2-CB 4.36Å; L935-V1069 HydrophobicContact CD2-CG1 3.69Å; L935-V1069 HydrophobicContact CG-CB 4.14Å; L935-V1069 HydrophobicContact CG-CG1 3.97Å; L935-V1069 HydrophobicContact CG-CG2 4.35Å; L937-V1069 HydrophobicContact CB-CG2 4.09Å; L937-V1069 HydrophobicContact CD1-CG2 3.81Å; L937-V1069 HydrophobicContact CG-CG2 3.59Å
1070	E	96.2	Very high	89.7	Confident	80 Å²	80	54.7 Å²	54.7	37%	0.374	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145	171.6	-66.5	168.5	-135.3	0	0	108.9	V746 K747 G750	V746-E1070 CarbonylContact C-O 3.44Å; V746-E1070 VanDerWaalsContact CA-O 3.24Å; V746-E1070 WeakPolarHBondContact CA-O 3.41Å; K747-E1070 HydrophobicContact CB-CB 4.25Å; K747-E1070 PolarHBondContact N-O 3.44Å; K747-E1070 PolarHBondContact O-N 3.19Å; G750-E1070 WeakPolarHBondContact CA-OE1 3.22Å
1071	L	96.1	Very high	88.9	Confident	13 Å²	13	54.3 Å²	54.3	7%	0.068	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.1	179.1	-62.3	176.4	0	0	0	110	V744 V746 L928 L931 E932	V744-L1071 HydrophobicContact CG2-CD2 3.33Å; V746-L1071 HydrophobicContact CG1-CD2 4.37Å; L928-L1071 HydrophobicContact CB-CD1 4.03Å; L928-L1071 HydrophobicContact CD2-CD1 3.83Å; L931-L1071 HydrophobicContact CD2-CD1 4.18Å; L931-L1071 HydrophobicContact CD2-CD2 4.15Å; E932-L1071 HydrophobicContact CG-CB 4.2Å; E932-L1071 HydrophobicContact CG-CD1 3.91Å; E932-L1071 HydrophobicContact CG-CG 3.57Å; E932-L1071 WeakPolarHBondContact OE1-CB 3.17Å; E932-L1071 PolarHBondContact OE1-N 3Å
1072	D	96.4	Very high	87.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	33%	0.329	C	S	.	.			trans	-102.8	107.1	173.5	-165.5	-70	0	0	0	110.2	P718 S745 K747 R752 G901 G902 E1074 G1075	P718-D1072 HydrophobicContact CB-CB 3.62Å; P718-D1072 HydrophobicContact CG-CB 3.92Å; S745-D1072 WeakPolarHBondContact CB-O 3.46Å; S745-D1072 PolarHBondContact O-N 3.5Å; K747-D1072 WeakPolarHBondContact CE-OD2 3.18Å; K747-D1072 HydrophobicContact CG-CB 4.23Å; R752-D1072 IonicContact CZ-OD1 2.78Å; R752-D1072 IonicContact CZ-OD2 3.2Å; R752-D1072 IonicContact NE-OD1 3.2Å; R752-D1072 IonicContact NE-OD2 3.81Å; R752-D1072 PolarHBondContact NE-OD2 3.37Å; R752-D1072 IonicContact NH2-OD1 3.39Å; R752-D1072 PolarHBondContact NH2-OD1 3.01Å; R752-D1072 VanDerWaalsContact NH2-OD1 3.13Å; R752-D1072 IonicContact NH2-OD2 2.83Å; R752-D1072 PolarHBondContact NH2-OD2 3.21Å; G901-D1072 CarbonylContact C-O 3.59Å; G902-D1072 PolarHBondContact N-O 3.04Å; D1072-E1074 PolarHBondContact OD1-N 2.93Å; D1072-G1075 PolarHBondContact OD1-N 3.1Å
1073	M	95.1	Very high	86	Confident	99 Å²	99	61.1 Å²	61.1	49%	0.488	34%	0.342	S	S	.	.	S	Bend	trans	-83.4	-9.5	-177	-60.8	-54.9	-65.1	0	0	114.1	L928	L928-M1073 HydrophobicContact CD1-CE 4.41Å
1074	E	92.8	Very high	84	Confident	125 Å²	125	60 Å²	60	58%	0.584	34%	0.341	S	S	*	.	S	Bend	trans	-96.4	-38.8	-175.1	-60	177.4	171.6	0	0	111.9	R752 D1072	R752-E1074 IonicContact CZ-OE2 2.84Å; R752-E1074 IonicContact NH1-OE2 3.87Å; R752-E1074 PolarHBondContact NH1-OE2 2.89Å; R752-E1074 VanDerWaalsContact NH1-OE2 3.12Å; R752-E1074 IonicContact NH2-OE2 3.38Å; R752-E1074 PolarHBondContact NH2-OE2 2.97Å; D1072-E1074 PolarHBondContact OD1-N 2.93Å
1075	G	93.8	Very high	81.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	82.6	-134.7	-172	0	0	0	0	0	111.3	P718 G901 D1072 A1077	P718-G1075 WeakPolarHBondContact CD-O 3.39Å; G901-G1075 VanDerWaalsContact CA-N 3.32Å; D1072-G1075 PolarHBondContact OD1-N 3.1Å; G1075-A1077 PolarHBondContact O-N 2.78Å
1076	I	94.9	Very high	78.5	Confident	26 Å²	26	69.9 Å²	69.9	13%	0.133	39%	0.393	C	S	.	.	S	Bend	trans	-60.1	128.3	173	-173.6	166.3	0	0	0	110.5	V715 A860 L875 L899	V715-I1076 HydrophobicContact CG1-CD1 3.64Å; V715-I1076 HydrophobicContact CG1-CG1 3.48Å; V715-I1076 VanDerWaalsContact CG1-CG1 3.48Å; A860-I1076 HydrophobicContact CB-CD1 3.65Å; L875-I1076 HydrophobicContact CD2-CD1 3.69Å; L899-I1076 HydrophobicContact CD2-CB 4.2Å; L899-I1076 HydrophobicContact CD2-CD1 3.94Å; L899-I1076 WeakPolarHBondContact O-CG2 3.5Å; L899-I1076 PolarHBondContact O-N 3.23Å
1077	A	93.3	Very high	75.7	Confident	18 Å²	18	73.6 Å²	73.6	15%	0.149	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.3	176.6	0	0	0	0	0	112.9	V715 E716 G1075	V715-A1077 WeakPolarHBondContact CA-O 3.4Å; E716-A1077 PolarHBondContact N-O 3.29Å; E716-A1077 PolarHBondContact O-N 2.98Å; G1075-A1077 PolarHBondContact O-N 2.78Å
1078	I	89.8	Confident	72.9	Confident	71 Å²	71	81.2 Å²	81.2	36%	0.364	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.3	178.5	-63.3	147.4	0	0	0	107.8	E714 R864	E714-I1078 WeakPolarHBondContact O-CA 3.49Å; R864-I1078 VanDerWaalsContact NH1-CD1 3.28Å
1079	R	85.5	Confident	70.1	Confident	114 Å²	114	92.8 Å²	92.8	43%	0.43	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.5	170.7	-73.4	-166	170.4	-163.3	7.3	109.8	E714 E716	E714-R1079 HydrophobicContact CB-CB 4.15Å; E714-R1079 HydrophobicContact CG-CB 4.19Å; E714-R1079 HydrophobicContact CG-CG 4.49Å; E714-R1079 PolarHBondContact O-N 2.72Å; E714-R1079 VanDerWaalsContact OE1-CD 3.32Å; E714-R1079 WeakPolarHBondContact OE1-CD 3.41Å; E716-R1079 IonicContact OE1-CZ 3.54Å; E716-R1079 IonicContact OE1-NE 2.99Å; E716-R1079 PolarHBondContact OE1-NE 2.88Å; E716-R1079 VanDerWaalsContact OE1-NE 3.11Å; E716-R1079 IonicContact OE1-NH1 3.79Å; E716-R1079 IonicContact OE1-NH2 2.8Å; E716-R1079 PolarHBondContact OE1-NH2 3.42Å; E716-R1079 IonicContact OE2-CZ 2.72Å; E716-R1079 IonicContact OE2-NE 3.11Å; E716-R1079 PolarHBondContact OE2-NE 3.14Å; E716-R1079 IonicContact OE2-NH2 2.72Å; E716-R1079 PolarHBondContact OE2-NH2 3.46Å
1080	P	71.9	Confident	68.8	Low	109 Å²	109	97.1 Å²	97.1	71%	0.708	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-60.8	146.6	172.2	24.2	-30.4	0	0	0	109.7	A1082	P1080-A1082 PolarHBondContact O-N 3.3Å
1081	P	64.4	Low	67.4	Low	72 Å²	72	97.9 Å²	97.9	47%	0.468	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-56.1	131.2	176.6	22	-30.8	0	0	0	108.8	V1083	P1081-V1083 PolarHBondContact O-N 2.93Å
1082	A	54.3	Low	65.8	Low	91 Å²	91	102.7 Å²	102.7	75%	0.752	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-56.8	118.6	176.7	0	0	0	0	0	108.1	P1080 T1084	P1080-A1082 PolarHBondContact O-N 3.3Å; A1082-T1084 VanDerWaalsContact C-N 3.29Å; A1082-T1084 PolarHBondContact O-N 3.21Å
1083	V	41.1	Very low	64	Low	137 Å²	137	108.6 Å²	108.6	83%	0.83	60%	0.597	S	S	*	*			trans	-63	97.8	173	-179.7	0	0	0	0	106.4	P1081 Q1085	P1081-V1083 PolarHBondContact O-N 2.93Å; V1083-Q1085 PolarHBondContact O-N 3.29Å
1084	T	38.8	Very low	62	Low	123 Å²	123	109.3 Å²	109.3	76%	0.755	60%	0.604	S	S	*	*			trans	-62	105.8	165.9	38.1	0	0	0	0	106.5	A1082	A1082-T1084 VanDerWaalsContact C-N 3.29Å; A1082-T1084 PolarHBondContact O-N 3.21Å
1085	Q	29.5	Very low	60	Low	174 Å²	174	108.2 Å²	108.2	81%	0.813	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-53.8	129.7	160.6	-79.5	-177.1	-15	0	0	107.1	V1083 A1087	V1083-Q1085 PolarHBondContact O-N 3.29Å; Q1085-A1087 PolarHBondContact O-N 2.91Å
1086	P	35.5	Very low	57.6	Low	117 Å²	117	115.9 Å²	115.9	76%	0.76	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-61.8	127.7	-179	20.7	-25.4	0	0	0	108.5	E1088	P1086-E1088 PolarHBondContact O-N 2.74Å
1087	A	36.7	Very low	54.7	Low	95 Å²	95	122.8 Å²	122.8	79%	0.785	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-53.8	124.4	169.1	0	0	0	0	0	108.3	Q1085 K1089	Q1085-A1087 PolarHBondContact O-N 2.91Å; A1087-K1089 PolarHBondContact O-N 2.99Å
1088	E	35.5	Very low	51.5	Low	195 Å²	195	131.6 Å²	131.6	91%	0.911	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-55.7	137.8	170.7	-74.3	-178.3	150.8	0	0	109.4	P1086	P1086-E1088 PolarHBondContact O-N 2.74Å
1089	K	34.9	Very low	48	Very low	281 Å²	281	137.1 Å²	137.1	100%	1.222	77%	0.767	S	S	*	*			trans	-54.6	0	-163.9	-77.8	177.6	172.6	177.1	0	116.2	A1087	A1087-K1089 PolarHBondContact O-N 2.99Å

Retrieved 1,089 of 1,089 residues in 2433.5 ms (Link to these results)

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