A0A5K4F4Q1_SCHMA Loading...

Junctophilin-1

AlphaFold DB , UniProt , Accession A0A5K4F4Q1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,121 aa.

						>A0A5K4F4Q1_SCHMA|A0A5K4F4Q1
MDLVKTEATCLPAGRYEFKDSGLYIGEWLNEKAVGLGLITKDKCQGEYTGLWDNGSEKSGVFLWPNAPGAMYEGEWAHNRRNGYGIFTREDWVIMGQFKDDFIKCGIKCKEDSIGRFEGEFENGFPSFGVETYADGGSYAGEYKNGVREGLGVRTSIPYGEVINFFPEEAAIAAEIALDIKKRTALQNLLNSTHHTHHHHITNHDSNTHNMINNNNNNNNTTGTRRGSLLSQRSGDAVELDDPELSGQDDMEDEPYYGRRPNPLNNHNKDFKDLRMSCKFKCGFVLSSQRSELMLRRQQKLNHTGSGSLIKFRGSGHNRSGRRSKSLTNLFNRSLSKESITCVRRQGSITERGIVRGKMKVEQTPESVFTLDQVDAIDPETVETFAGQWEADSRHGYGVCERSDGVIYEGQWVKNRRHGYGQTHFPDGVCEQGRYQNGKLVFLSWPKGAKSYLLLYNYHIMREVANAVKRARSIADDAFLLGNMFKECLNKVENAVQLSKKAAELARDYSLETRELVKEMYPDFEQPGIKYLEDMVRLMNITKRGNQAFDTALQSAKDVLASVEANLIEHEHEQQQQEQNQDDHQQMDFNYSSLDLDLHQSINHNNNSSIPLSRAGSYRLKRHHKHHSNKHKHGNDRIQSVEMKNIEYSTGTDLNKSLTLQIPQLNIDSSFSQRINNNNTMVTTTTTLENSLHVPNLNYSINRIDNDLSSECDSIDGESRTTRSSSEVSNYIILPTFNILKPQSEPLTIPLNKLMSNTSVMDDYFGHYKITPKRLPSLYNEKRHSMERLTELHNVHENIVTMPNRSMDRYDDDHDYFKPLDRDMKIATFPRSSENVESSKRIVRRRTLPGFLTQPPLDLSKYSNLTTLQENGIMPSNNTLDTEYNQSSNWNPQNNPSTIPHLSNHQVTDSNSNYDQSSDNTSVIYYTDNGIRKRAHAYSPSNKSFPFPNISQQNLVTMATKLDSLKQTTITTTTLPISLSTTTTNNNTMSTITNTLHKYPYSRMNQSPLVVSNVMIEDPQDQLTPLPIYYKESSIDLSQSIKRGSVPDVTKQSSTLSPNDLLKLEEEHKRKYENILDRKRQGEIVIQLVDFFDWCRVNLSILTFILINCILACFFYIIIYS
					

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(Predicted Aligned Error values between residue pairs)

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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	33.9	Very low	45.2	Very low	222 Å²	222	121.5 Å²	121.5	100%	1.094	66%	0.658	S	S	*	*				0	60.1	0	-96.4	-91.7	-166.3	0	0	106.4
2	D	37.3	Very low	48.1	Very low	152 Å²	152	117.1 Å²	117.1	81%	0.813	64%	0.64	S	S	*	*			trans	-105.9	93.6	172.7	-65	-27.8	0	0	0	104.2	V4	D2-V4 PolarHBondContact O-N 3.39Å
3	L	38.8	Very low	50.7	Low	158 Å²	158	110.2 Å²	110.2	83%	0.827	61%	0.609	S	S	*	*			trans	-57.5	91.7	154.2	-91.5	100.1	0	0	0	104.6	K5	L3-K5 PolarHBondContact O-N 3.3Å
4	V	42.1	Very low	53.3	Low	119 Å²	119	102.7 Å²	102.7	72%	0.721	57%	0.569	S	S	*	*			trans	-58.1	92.6	157.2	177.7	0	0	0	0	103.1	D2 T6	D2-V4 PolarHBondContact O-N 3.39Å; V4-T6 PolarHBondContact O-N 3.35Å
5	K	39.7	Very low	55.7	Low	174 Å²	174	103.5 Å²	103.5	76%	0.757	56%	0.56	S	S	*	*			trans	-46.9	104.3	153.8	-71.6	177.7	178.6	178.4	0	102.8	L3 E7	L3-K5 PolarHBondContact O-N 3.3Å; K5-E7 PolarHBondContact O-N 3.33Å
6	T	38.7	Very low	57.8	Low	126 Å²	126	105.4 Å²	105.4	77%	0.773	56%	0.558	S	S	*	*			trans	-63	82.1	163.3	45.3	0	0	0	0	104	V4 A8	V4-T6 PolarHBondContact O-N 3.35Å; T6-A8 VanDerWaalsContact C-N 3.32Å; T6-A8 PolarHBondContact O-N 3.13Å
7	E	38.6	Very low	59.5	Low	163 Å²	163	106.5 Å²	106.5	76%	0.762	56%	0.559	S	S	*	*			trans	-51.6	110.2	162.4	-70.9	-176.4	170.4	0	0	103.5	K5 T9	K5-E7 PolarHBondContact O-N 3.33Å; E7-T9 VanDerWaalsContact C-N 3.32Å; E7-T9 PolarHBondContact O-N 3.34Å
8	A	44.6	Very low	61	Low	47 Å²	47	104.9 Å²	104.9	39%	0.388	55%	0.547	S	S	.	.			trans	-50.9	106.1	175.7	0	0	0	0	0	106	T6 C10 L612	T6-A8 VanDerWaalsContact C-N 3.32Å; T6-A8 PolarHBondContact O-N 3.13Å; A8-C10 VanDerWaalsContact C-N 3.28Å; A8-C10 PolarHBondContact O-N 3.17Å; A8-L612 HydrophobicContact CB-CB 3.87Å; A8-L612 HydrophobicContact CB-CD2 4.09Å
9	T	51.9	Low	62.2	Low	93 Å²	93	111.3 Å²	111.3	57%	0.571	57%	0.57	S	S	*	*			trans	-63.9	97.7	-178.8	32.4	0	0	0	0	106	E7 L11 P611	E7-T9 VanDerWaalsContact C-N 3.32Å; E7-T9 PolarHBondContact O-N 3.34Å; T9-L11 PolarHBondContact O-N 2.69Å; T9-P611 VanDerWaalsContact O-CB 3.29Å; T9-P611 WeakPolarHBondContact O-CB 3.34Å
10	C	61	Low	63.2	Low	67 Å²	67	109.6 Å²	109.6	45%	0.453	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-59.5	136.5	179.8	-69.2	0	0	0	0	108.3	A8 L612 R614	A8-C10 VanDerWaalsContact C-N 3.28Å; A8-C10 PolarHBondContact O-N 3.17Å; C10-L612 WeakPolarHBondContact CA-O 3.43Å; C10-R614 HydrophobicContact CB-CB 4.32Å
11	L	70.5	Confident	64	Low	16 Å²	16	108.5 Å²	108.5	8%	0.084	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-56.8	134.9	171.5	-69.8	170.9	0	0	0	109.3	T9 A13 E27 L29 V34 P611 L612	T9-L11 PolarHBondContact O-N 2.69Å; L11-A13 PolarHBondContact O-N 2.87Å; L11-E27 HydrophobicContact CB-CB 4.07Å; L11-E27 HydrophobicContact CB-CG 4.09Å; L11-E27 HydrophobicContact CD1-CB 4.28Å; L11-L29 HydrophobicContact CD2-CB 4.44Å; L11-L29 HydrophobicContact CD2-CD2 4.42Å; L11-V34 HydrophobicContact CD1-CG2 4.09Å; L11-V34 HydrophobicContact CD2-CG2 4.3Å; L11-P611 HydrophobicContact CD2-CB 4.07Å; L11-P611 HydrophobicContact CD2-CG 3.79Å; L11-L612 PolarHBondContact N-O 3.23Å
12	P	79.6	Confident	66.5	Low	68 Å²	68	98 Å²	98	44%	0.442	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-65	138.2	173.2	26.2	-29.4	0	0	0	108.8	E27 W28	P12-E27 WeakPolarHBondContact O-CA 3.02Å; P12-W28 WeakPolarHBondContact CD-O 3.44Å; P12-W28 WeakPolarHBondContact CG-O 3.5Å; P12-W28 PolarHBondContact O-N 3.37Å
13	A	82.7	Confident	68.9	Low	28 Å²	28	91.4 Å²	91.4	23%	0.231	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.6	-178.1	0	0	0	0	0	110.2	L11 G26 E27 M520	L11-A13 PolarHBondContact O-N 2.87Å; A13-G26 WeakPolarHBondContact CA-O 3.47Å; A13-E27 HydrophobicContact CB-CG 4.12Å; A13-M520 HydrophobicContact CB-CE 3.61Å; A13-M520 HydrophobicContact CB-SD 3.84Å
14	G	87.2	Confident	71.4	Confident	5 Å²	5	84.5 Å²	84.5	5%	0.052	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-150.1	170.7	0	0	0	0	0	112.1	I25 G26 W28	G14-I25 WeakPolarHBondContact O-CA 3.41Å; G14-G26 PolarHBondContact N-O 2.75Å; G14-G26 PolarHBondContact O-N 3.37Å; G14-W28 WeakPolarHBondContact O-CZ3 3.44Å
15	R	89.2	Confident	73.7	Confident	114 Å²	114	78.9 Å²	78.9	43%	0.43	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.6	-167.6	-177.2	178.5	176.2	-163.5	-5.6	111.9	E17 L23 Y24 I25 Y521	R15-E17 IonicContact CZ-OE1 3.1Å; R15-E17 IonicContact NE-OE1 3.25Å; R15-E17 PolarHBondContact NE-OE1 2.95Å; R15-E17 IonicContact NH1-OE1 3.26Å; R15-E17 IonicContact NH2-OE1 2.63Å; R15-E17 PolarHBondContact NH2-OE1 3Å; R15-L23 HydrophobicContact CG-CD1 3.58Å; R15-L23 HydrophobicContact CG-CG 4.34Å; R15-Y24 CarbonylContact C-O 3.55Å; R15-Y24 WeakPolarHBondContact CA-O 3.46Å; R15-I25 HydrophobicContact CB-CG1 4.47Å; R15-I25 HydrophobicContact CG-CG1 4.17Å; R15-Y521 HydrophobicContact CB-CE1 4.44Å; R15-Y521 HydrophobicContact CB-CE2 3.86Å; R15-Y521 VanDerWaalsContact CB-OH 3.25Å; R15-Y521 WeakPolarHBondContact CB-OH 3.39Å
16	Y	88.6	Confident	76.2	Confident	135 Å²	135	70.6 Å²	70.6	53%	0.529	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.2	174	-175.2	-93.6	0	0	0	110.6	F18 L23 Y24	Y16-F18 HydrophobicContact CD1-CD1 4.07Å; Y16-F18 HydrophobicContact CD1-CD2 4.23Å; Y16-F18 AromaticContact CD1-CE1 3.93Å; Y16-F18 HydrophobicContact CD1-CE1 3.93Å; Y16-F18 HydrophobicContact CD1-CE2 4.12Å; Y16-F18 HydrophobicContact CD1-CG 4.21Å; Y16-F18 AromaticContact CD1-CZ 3.96Å; Y16-F18 HydrophobicContact CD1-CZ 3.96Å; Y16-F18 AromaticContact CE1-CD1 3.64Å; Y16-F18 HydrophobicContact CE1-CD1 3.64Å; Y16-F18 AromaticContact CE1-CE1 3.72Å; Y16-F18 HydrophobicContact CE1-CE1 3.72Å; Y16-F18 HydrophobicContact CE1-CG 4.08Å; Y16-F18 HydrophobicContact CE1-CZ 4.24Å; Y16-L23 WeakPolarHBondContact O-CD1 3.44Å; Y16-Y24 PolarHBondContact N-O 3.11Å; Y16-Y24 PolarHBondContact O-N 2.86Å
17	E	87.5	Confident	78.7	Confident	123 Å²	123	64.6 Å²	64.6	58%	0.575	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.3	176.4	-74	176.3	-171.9	0	0	110.2	R15 L23	R15-E17 IonicContact CZ-OE1 3.1Å; R15-E17 IonicContact NE-OE1 3.25Å; R15-E17 PolarHBondContact NE-OE1 2.95Å; R15-E17 IonicContact NH1-OE1 3.26Å; R15-E17 IonicContact NH2-OE1 2.63Å; R15-E17 PolarHBondContact NH2-OE1 3Å; E17-L23 HydrophobicContact CB-CD1 4.33Å; E17-L23 HydrophobicContact CG-CD1 3.35Å
18	F	85.6	Confident	81.1	Confident	79 Å²	79	60.9 Å²	60.9	35%	0.346	31%	0.313	S	S	.	.			trans	-82.9	155.7	175.4	-65	-86.4	0	0	0	110.6	Y16 D20 S21 G22 I39	Y16-F18 HydrophobicContact CD1-CD1 4.07Å; Y16-F18 HydrophobicContact CD1-CD2 4.23Å; Y16-F18 AromaticContact CD1-CE1 3.93Å; Y16-F18 HydrophobicContact CD1-CE1 3.93Å; Y16-F18 HydrophobicContact CD1-CE2 4.12Å; Y16-F18 HydrophobicContact CD1-CG 4.21Å; Y16-F18 AromaticContact CD1-CZ 3.96Å; Y16-F18 HydrophobicContact CD1-CZ 3.96Å; Y16-F18 AromaticContact CE1-CD1 3.64Å; Y16-F18 HydrophobicContact CE1-CD1 3.64Å; Y16-F18 AromaticContact CE1-CE1 3.72Å; Y16-F18 HydrophobicContact CE1-CE1 3.72Å; Y16-F18 HydrophobicContact CE1-CG 4.08Å; Y16-F18 HydrophobicContact CE1-CZ 4.24Å; F18-D20 WeakPolarHBondContact CB-OD1 3.27Å; F18-D20 PolarHBondContact O-N 3.2Å; F18-S21 PolarHBondContact O-N 3.48Å; F18-S21 VanDerWaalsContact O-N 3.1Å; F18-G22 WeakPolarHBondContact CD2-O 3.19Å; F18-G22 PolarHBondContact N-O 3.18Å; F18-I39 HydrophobicContact CE2-CD1 3.71Å; F18-I39 HydrophobicContact CE2-CG1 4.11Å; F18-I39 HydrophobicContact CZ-CD1 3.92Å
19	K	83.4	Confident	83.2	Confident	225 Å²	225	61.8 Å²	61.8	98%	0.978	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.6	179	-68.2	-176.3	178.8	179.9	0	113.6	S21	K19-S21 VanDerWaalsContact C-N 3.26Å
20	D	82.6	Confident	84.9	Confident	77 Å²	77	64 Å²	64	41%	0.412	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.9	179.7	60.2	-4.3	0	0	0	112.7	F18 G22 D42	F18-D20 WeakPolarHBondContact CB-OD1 3.27Å; F18-D20 PolarHBondContact O-N 3.2Å; D20-G22 PolarHBondContact OD1-N 2.62Å; D20-D42 VanDerWaalsContact C-OD1 3.26Å; D20-D42 VanDerWaalsContact CB-OD1 3.29Å; D20-D42 WeakPolarHBondContact CB-OD1 3.47Å
21	S	80.8	Confident	86.1	Confident	88 Å²	88	70.4 Å²	70.4	62%	0.615	34%	0.343	S	S	*	.	S	Bend	trans	85	4.8	-168.8	77.7	0	0	0	0	115.1	F18 K19	F18-S21 PolarHBondContact O-N 3.48Å; F18-S21 VanDerWaalsContact O-N 3.1Å; K19-S21 VanDerWaalsContact C-N 3.26Å
22	G	85.1	Confident	87.1	Confident	2 Å²	2	74.9 Å²	74.9	2%	0.021	36%	0.361	C	S	.	.			trans	-62.7	154.9	164	0	0	0	0	0	111.7	F18 D20 T40	F18-G22 WeakPolarHBondContact CD2-O 3.19Å; F18-G22 PolarHBondContact N-O 3.18Å; D20-G22 PolarHBondContact OD1-N 2.62Å; G22-T40 CarbonylContact C-O 3.48Å; G22-T40 WeakPolarHBondContact CA-O 3.4Å
23	L	89.4	Confident	87.6	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.063	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	129.6	178	-174.4	74.7	0	0	0	111.3	R15 Y16 E17 I25 I39 T40 F524	R15-L23 HydrophobicContact CG-CD1 3.58Å; R15-L23 HydrophobicContact CG-CG 4.34Å; Y16-L23 WeakPolarHBondContact O-CD1 3.44Å; E17-L23 HydrophobicContact CB-CD1 4.33Å; E17-L23 HydrophobicContact CG-CD1 3.35Å; L23-I25 HydrophobicContact CD2-CD1 3.74Å; L23-I25 HydrophobicContact CD2-CG1 3.88Å; L23-I25 HydrophobicContact CG-CG1 4.1Å; L23-I39 CarbonylContact O-C 3.55Å; L23-I39 WeakPolarHBondContact O-CA 3.42Å; L23-T40 WeakPolarHBondContact CB-OG1 3.49Å; L23-T40 PolarHBondContact N-O 3.27Å; L23-T40 PolarHBondContact N-OG1 3.01Å; L23-T40 PolarHBondContact O-N 2.86Å; L23-T40 PolarHBondContact O-OG1 3.41Å; L23-F524 HydrophobicContact CD2-CD2 4.13Å; L23-F524 HydrophobicContact CD2-CE2 3.44Å; L23-F524 VanDerWaalsContact CD2-CE2 3.44Å; L23-F524 HydrophobicContact CD2-CZ 3.86Å
24	Y	91.2	Very high	88	Confident	13 Å²	13	71.7 Å²	71.7	5%	0.051	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.9	165.4	177.3	-101.4	0	0	0	110.4	R15 Y16 E27 W28 A33 L38 I39 W52	R15-Y24 CarbonylContact C-O 3.55Å; R15-Y24 WeakPolarHBondContact CA-O 3.46Å; Y16-Y24 PolarHBondContact N-O 3.11Å; Y16-Y24 PolarHBondContact O-N 2.86Å; Y24-E27 PolarHBondContact OH-O 2.88Å; Y24-W28 HydrophobicContact CE1-CE3 4.44Å; Y24-A33 HydrophobicContact CE1-CB 4.14Å; Y24-A33 HydrophobicContact CE2-CB 3.86Å; Y24-A33 WeakPolarHBondContact OH-CB 3.42Å; Y24-L38 CarbonylContact C-O 3.34Å; Y24-L38 WeakPolarHBondContact CA-O 3.37Å; Y24-I39 HydrophobicContact CD2-CB 4.15Å; Y24-W52 HydrophobicContact CD2-CZ2 4.14Å; Y24-W52 HydrophobicContact CE2-CD2 4.14Å; Y24-W52 AromaticContact CE2-CE2 3.68Å; Y24-W52 AromaticContact CE2-CZ2 3.89Å; Y24-W52 HydrophobicContact CE2-CZ2 3.89Å; Y24-W52 AromaticContact CE2-NE1 3.8Å
25	I	90.9	Very high	88.3	Confident	1 Å²	1	72 Å²	72	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.6	168.9	-56.1	174.2	0	0	0	107.4	G14 R15 L23 G37 L38 V517 Y521 F524	G14-I25 WeakPolarHBondContact O-CA 3.41Å; R15-I25 HydrophobicContact CB-CG1 4.47Å; R15-I25 HydrophobicContact CG-CG1 4.17Å; L23-I25 HydrophobicContact CD2-CD1 3.74Å; L23-I25 HydrophobicContact CD2-CG1 3.88Å; L23-I25 HydrophobicContact CG-CG1 4.1Å; I25-G37 CarbonylContact O-C 3.53Å; I25-G37 WeakPolarHBondContact O-CA 3.49Å; I25-L38 PolarHBondContact N-O 3.41Å; I25-L38 PolarHBondContact O-N 2.95Å; I25-V517 HydrophobicContact CB-CG2 4.06Å; I25-V517 HydrophobicContact CD1-CG1 3.87Å; I25-V517 HydrophobicContact CG2-CB 4.44Å; I25-V517 HydrophobicContact CG2-CG1 4.33Å; I25-V517 HydrophobicContact CG2-CG2 3.79Å; I25-Y521 HydrophobicContact CD1-CD2 4.17Å; I25-Y521 HydrophobicContact CG2-CD2 3.85Å; I25-Y521 HydrophobicContact CG2-CE2 3.88Å; I25-F524 HydrophobicContact CD1-CD1 3.77Å; I25-F524 HydrophobicContact CD1-CD2 4.22Å; I25-F524 HydrophobicContact CD1-CE1 3.78Å; I25-F524 HydrophobicContact CD1-CE2 4.25Å; I25-F524 HydrophobicContact CD1-CG 3.99Å; I25-F524 HydrophobicContact CD1-CZ 4.02Å
26	G	91.3	Very high	88.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-170.5	-179.5	0	0	0	0	0	114	A13 G14 L36	A13-G26 WeakPolarHBondContact CA-O 3.47Å; G14-G26 PolarHBondContact N-O 2.75Å; G14-G26 PolarHBondContact O-N 3.37Å; G26-L36 CarbonylContact C-O 3.48Å; G26-L36 VanDerWaalsContact CA-O 3.27Å; G26-L36 WeakPolarHBondContact CA-O 3.23Å
27	E	91.1	Very high	88.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	148.6	176.9	-66.3	179	139.2	0	0	111	L11 P12 A13 Y24 V34 G35 L36 L516 S613 R614	L11-E27 HydrophobicContact CB-CB 4.07Å; L11-E27 HydrophobicContact CB-CG 4.09Å; L11-E27 HydrophobicContact CD1-CB 4.28Å; P12-E27 WeakPolarHBondContact O-CA 3.02Å; A13-E27 HydrophobicContact CB-CG 4.12Å; Y24-E27 PolarHBondContact OH-O 2.88Å; E27-V34 CarbonylContact C-O 3.46Å; E27-V34 WeakPolarHBondContact CB-O 3.33Å; E27-V34 PolarHBondContact O-N 3.05Å; E27-G35 VanDerWaalsContact OE2-CA 3.28Å; E27-G35 WeakPolarHBondContact OE2-CA 3.25Å; E27-L36 PolarHBondContact N-O 3.32Å; E27-L36 PolarHBondContact OE2-N 3.31Å; E27-L516 HydrophobicContact CG-CD2 4.46Å; E27-S613 VanDerWaalsContact OE1-CA 3.32Å; E27-S613 WeakPolarHBondContact OE1-CA 3.49Å; E27-S613 WeakPolarHBondContact OE1-CB 3.35Å; E27-S613 PolarHBondContact OE1-OG 3.47Å; E27-S613 WeakPolarHBondContact OE2-CB 3.34Å; E27-S613 PolarHBondContact OE2-OG 3.11Å; E27-R614 WeakPolarHBondContact OE1-CB 3.23Å; E27-R614 PolarHBondContact OE1-N 2.92Å
28	W	89.2	Confident	88.9	Confident	85 Å²	85	54.5 Å²	54.5	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	152.4	177.6	54.1	65.9	0	0	0	112	P12 G14 Y24 K32	P12-W28 WeakPolarHBondContact CD-O 3.44Å; P12-W28 WeakPolarHBondContact CG-O 3.5Å; P12-W28 PolarHBondContact O-N 3.37Å; G14-W28 WeakPolarHBondContact O-CZ3 3.44Å; Y24-W28 HydrophobicContact CE1-CE3 4.44Å; W28-K32 CarbonylContact C-O 3.52Å; W28-K32 WeakPolarHBondContact CA-O 3.31Å; W28-K32 WeakPolarHBondContact CB-O 3.31Å
29	L	88.4	Confident	89.1	Confident	67 Å²	67	51.6 Å²	51.6	35%	0.351	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	133	175.9	-176	66.2	0	0	0	108.1	L11 E31 K32 V34	L11-L29 HydrophobicContact CD2-CB 4.44Å; L11-L29 HydrophobicContact CD2-CD2 4.42Å; L29-E31 VanDerWaalsContact C-N 3.29Å; L29-E31 PolarHBondContact O-N 3.35Å; L29-K32 PolarHBondContact N-O 3.22Å; L29-K32 PolarHBondContact O-N 3.22Å; L29-V34 HydrophobicContact CB-CB 4.48Å; L29-V34 HydrophobicContact CB-CG1 4.12Å; L29-V34 HydrophobicContact CB-CG2 3.53Å
30	N	87.8	Confident	89.2	Confident	139 Å²	139	41.7 Å²	41.7	74%	0.743	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	47.7	-179.6	-56.9	-26.1	0	0	0	112.9	K32	N30-K32 PolarHBondContact O-N 3.3Å; N30-K32 VanDerWaalsContact O-N 3.13Å
31	E	86.4	Confident	88.8	Confident	202 Å²	202	41.7 Å²	41.7	94%	0.944	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	15	179.7	-52.2	179.1	167.2	0	0	114.9	L29	L29-E31 VanDerWaalsContact C-N 3.29Å; L29-E31 PolarHBondContact O-N 3.35Å
32	K	90.4	Very high	88.2	Confident	109 Å²	109	39.8 Å²	39.8	47%	0.474	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	144.4	178.6	-65.2	180	179.1	-172.3	0	110.8	W28 L29 N30 V34	W28-K32 CarbonylContact C-O 3.52Å; W28-K32 WeakPolarHBondContact CA-O 3.31Å; W28-K32 WeakPolarHBondContact CB-O 3.31Å; L29-K32 PolarHBondContact N-O 3.22Å; L29-K32 PolarHBondContact O-N 3.22Å; N30-K32 PolarHBondContact O-N 3.3Å; N30-K32 VanDerWaalsContact O-N 3.13Å; K32-V34 PolarHBondContact O-N 3.45Å
33	A	90.9	Very high	86.9	Confident	17 Å²	17	48.4 Å²	48.4	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	128.4	168.7	0	0	0	0	0	109.9	Y24 W52 G55	Y24-A33 HydrophobicContact CE1-CB 4.14Å; Y24-A33 HydrophobicContact CE2-CB 3.86Å; Y24-A33 WeakPolarHBondContact OH-CB 3.42Å; A33-W52 HydrophobicContact CB-CB 4.24Å; A33-W52 HydrophobicContact CB-CD2 3.85Å; A33-W52 HydrophobicContact CB-CE3 3.6Å; A33-W52 HydrophobicContact CB-CG 4.15Å; A33-W52 HydrophobicContact CB-CZ3 4.24Å; A33-G55 WeakPolarHBondContact O-CA 3.34Å; A33-G55 PolarHBondContact O-N 3.1Å
34	V	91.7	Very high	85.4	Confident	13 Å²	13	51.6 Å²	51.6	8%	0.079	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	162.4	176	-63.7	0	0	0	0	108.1	L11 E27 L29 K32 W52	L11-V34 HydrophobicContact CD1-CG2 4.09Å; L11-V34 HydrophobicContact CD2-CG2 4.3Å; E27-V34 CarbonylContact C-O 3.46Å; E27-V34 WeakPolarHBondContact CB-O 3.33Å; E27-V34 PolarHBondContact O-N 3.05Å; L29-V34 HydrophobicContact CB-CB 4.48Å; L29-V34 HydrophobicContact CB-CG1 4.12Å; L29-V34 HydrophobicContact CB-CG2 3.53Å; K32-V34 PolarHBondContact O-N 3.45Å; V34-W52 CarbonylContact C-O 3.57Å
35	G	91.9	Very high	84.5	Confident	12 Å²	12	55.3 Å²	55.3	12%	0.124	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.4	-143.8	174.3	0	0	0	0	0	112.3	E27 L51 W52	E27-G35 VanDerWaalsContact OE2-CA 3.28Å; E27-G35 WeakPolarHBondContact OE2-CA 3.25Å; G35-L51 CarbonylContact O-C 3.48Å; G35-L51 WeakPolarHBondContact O-CA 3.22Å; G35-W52 PolarHBondContact N-O 2.86Å; G35-W52 PolarHBondContact O-N 2.97Å
36	L	92.5	Very high	84.2	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137	-179.6	-64.1	-164.5	0	0	0	112.3	G26 E27 L51 Y509 E512 L516 A615	G26-L36 CarbonylContact C-O 3.48Å; G26-L36 VanDerWaalsContact CA-O 3.27Å; G26-L36 WeakPolarHBondContact CA-O 3.23Å; E27-L36 PolarHBondContact N-O 3.32Å; E27-L36 PolarHBondContact OE2-N 3.31Å; L36-L51 HydrophobicContact CD2-CD1 4.17Å; L36-Y509 HydrophobicContact CD2-CD1 3.86Å; L36-Y509 HydrophobicContact CD2-CG 4.45Å; L36-E512 HydrophobicContact CD1-CB 3.49Å; L36-E512 VanDerWaalsContact CD1-CB 3.49Å; L36-L516 HydrophobicContact CB-CD2 4.21Å; L36-A615 HydrophobicContact CB-CB 4.45Å; L36-A615 HydrophobicContact CD1-CB 3.14Å; L36-A615 HydrophobicContact CG-CB 3.76Å
37	G	92.5	Very high	84.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	146.5	178.1	0	0	0	0	0	114	I25 G50 W52	I25-G37 CarbonylContact O-C 3.53Å; I25-G37 WeakPolarHBondContact O-CA 3.49Å; G37-G50 PolarHBondContact N-O 3.44Å; G37-G50 PolarHBondContact O-N 3.41Å; G37-G50 VanDerWaalsContact O-N 3.14Å; G37-W52 VanDerWaalsContact C-NE1 3.35Å; G37-W52 PolarHBondContact O-NE1 3.29Å
38	L	92.7	Very high	84.2	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.6	173.4	177.9	153.2	0	0	0	107.7	Y24 I25 T40 E47 Y48 T49 T513 V517 F524	Y24-L38 CarbonylContact C-O 3.34Å; Y24-L38 WeakPolarHBondContact CA-O 3.37Å; I25-L38 PolarHBondContact N-O 3.41Å; I25-L38 PolarHBondContact O-N 2.95Å; L38-T40 HydrophobicContact CD2-CG2 3.83Å; L38-E47 HydrophobicContact CG-CG 4.37Å; L38-Y48 WeakPolarHBondContact CA-O 3.33Å; L38-T49 HydrophobicContact CB-CG2 4.12Å; L38-T49 HydrophobicContact CD1-CG2 3.65Å; L38-T49 HydrophobicContact CG-CG2 3.76Å; L38-T513 HydrophobicContact CB-CG2 3.83Å; L38-V517 HydrophobicContact CB-CG2 3.91Å; L38-V517 HydrophobicContact CD1-CG2 4.25Å; L38-F524 HydrophobicContact CD2-CE1 4.22Å; L38-F524 HydrophobicContact CD2-CZ 4.39Å
39	I	91	Very high	84.4	Confident	17 Å²	17	51.5 Å²	51.5	9%	0.087	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.8	168.3	-167.1	169.5	0	0	0	109.2	F18 L23 Y24 E47 Y48 W52	F18-I39 HydrophobicContact CE2-CD1 3.71Å; F18-I39 HydrophobicContact CE2-CG1 4.11Å; F18-I39 HydrophobicContact CZ-CD1 3.92Å; L23-I39 CarbonylContact O-C 3.55Å; L23-I39 WeakPolarHBondContact O-CA 3.42Å; Y24-I39 HydrophobicContact CD2-CB 4.15Å; I39-E47 WeakPolarHBondContact O-CA 3.27Å; I39-Y48 HydrophobicContact CG2-CD1 4.24Å; I39-Y48 HydrophobicContact CG2-CG 4.45Å; I39-Y48 PolarHBondContact N-O 2.92Å; I39-Y48 PolarHBondContact O-N 3.44Å; I39-W52 HydrophobicContact CB-CH2 4.19Å; I39-W52 HydrophobicContact CB-CZ2 3.85Å; I39-W52 HydrophobicContact CD1-CH2 4.18Å; I39-W52 HydrophobicContact CG2-CH2 3.83Å; I39-W52 HydrophobicContact CG2-CZ2 3.55Å
40	T	85.7	Confident	84.7	Confident	17 Å²	17	48.3 Å²	48.3	10%	0.104	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.6	164.5	54.3	0	0	0	0	106.1	G22 L23 L38 E47 P527	G22-T40 CarbonylContact C-O 3.48Å; G22-T40 WeakPolarHBondContact CA-O 3.4Å; L23-T40 WeakPolarHBondContact CB-OG1 3.49Å; L23-T40 PolarHBondContact N-O 3.27Å; L23-T40 PolarHBondContact N-OG1 3.01Å; L23-T40 PolarHBondContact O-N 2.86Å; L23-T40 PolarHBondContact O-OG1 3.41Å; L38-T40 HydrophobicContact CD2-CG2 3.83Å; T40-E47 HydrophobicContact CG2-CB 4.3Å; T40-E47 HydrophobicContact CG2-CG 4.12Å; T40-P527 HydrophobicContact CG2-CG 3.94Å
41	K	74.5	Confident	85	Confident	78 Å²	78	43.3 Å²	43.3	34%	0.339	22%	0.217	S	C	.	.			trans	-88	-172.3	167.4	-67.9	-173.4	-172.4	176.2	0	108.3	Q45 G46	K41-Q45 HydrophobicContact CB-CB 3.41Å; K41-Q45 VanDerWaalsContact CB-CB 3.41Å; K41-Q45 HydrophobicContact CB-CG 4.29Å; K41-Q45 HydrophobicContact CD-CB 4.09Å; K41-Q45 HydrophobicContact CG-CB 4.37Å; K41-G46 PolarHBondContact N-O 3.17Å; K41-G46 VanDerWaalsContact N-O 3.08Å
42	D	67.4	Low	85.4	Confident	47 Å²	47	34.5 Å²	34.5	25%	0.251	18%	0.175	S	C	.	.	S	Bend	trans	-40.9	148.1	169.2	-61.1	-6.7	0	0	0	110.3	D20 C44 Q45	D20-D42 VanDerWaalsContact C-OD1 3.26Å; D20-D42 VanDerWaalsContact CB-OD1 3.29Å; D20-D42 WeakPolarHBondContact CB-OD1 3.47Å; D42-C44 PolarHBondContact O-N 2.87Å; D42-Q45 HydrophobicContact CB-CG 4.42Å; D42-Q45 PolarHBondContact O-N 3.42Å
43	K	58.1	Low	85.5	Confident	184 Å²	184	32.6 Å²	32.6	80%	0.8	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.5	-19.6	-176.7	-64.5	-177.2	178.5	-179.1	0	114.9
44	C	57.1	Low	85.5	Confident	79 Å²	79	37.2 Å²	37.2	53%	0.534	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-7.5	-179.5	-57.3	0	0	0	0	116	D42 P65 N66	D42-C44 PolarHBondContact O-N 2.87Å; C44-P65 VanDerWaalsContact C-CG 3.41Å; C44-P65 WeakPolarHBondContact O-CG 3.24Å; C44-N66 PolarHBondContact O-ND2 2.9Å
45	Q	73.4	Confident	85.4	Confident	90 Å²	90	38 Å²	38	42%	0.421	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-25.2	-170.2	-72.7	-170.1	36.6	0	0	114	K41 D42 F62	K41-Q45 HydrophobicContact CB-CB 3.41Å; K41-Q45 VanDerWaalsContact CB-CB 3.41Å; K41-Q45 HydrophobicContact CB-CG 4.29Å; K41-Q45 HydrophobicContact CD-CB 4.09Å; K41-Q45 HydrophobicContact CG-CB 4.37Å; D42-Q45 HydrophobicContact CB-CG 4.42Å; D42-Q45 PolarHBondContact O-N 3.42Å; Q45-F62 WeakPolarHBondContact O-CZ 3.34Å
46	G	84.1	Confident	85.4	Confident	5 Å²	5	39.3 Å²	39.3	5%	0.052	21%	0.211	C	C	.	.			trans	111.7	-176.5	172.1	0	0	0	0	0	115.7	K41 L63	K41-G46 PolarHBondContact N-O 3.17Å; K41-G46 VanDerWaalsContact N-O 3.08Å; G46-L63 VanDerWaalsContact CA-O 3.25Å; G46-L63 WeakPolarHBondContact CA-O 3.4Å
47	E	89.9	Confident	85.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.5	-175.7	178.1	-178.6	123.5	0	0	109.6	L38 I39 T40 T49 F62 L63 R514 P527 G528	L38-E47 HydrophobicContact CG-CG 4.37Å; I39-E47 WeakPolarHBondContact O-CA 3.27Å; T40-E47 HydrophobicContact CG2-CB 4.3Å; T40-E47 HydrophobicContact CG2-CG 4.12Å; E47-T49 HydrophobicContact CG-CG2 3.97Å; E47-T49 VanDerWaalsContact OE1-CG2 3.24Å; E47-T49 WeakPolarHBondContact OE1-CG2 3.46Å; E47-F62 CarbonylContact O-C 3.48Å; E47-F62 VanDerWaalsContact O-CA 3.29Å; E47-F62 WeakPolarHBondContact O-CA 3.45Å; E47-L63 PolarHBondContact N-O 2.85Å; E47-L63 VanDerWaalsContact N-O 3.11Å; E47-L63 PolarHBondContact O-N 3.31Å; E47-R514 IonicContact OE1-CZ 3.73Å; E47-R514 IonicContact OE1-NE 2.73Å; E47-R514 IonicContact OE1-NH2 2.85Å; E47-R514 PolarHBondContact OE1-NH2 3.17Å; E47-P527 WeakPolarHBondContact OE2-CD 3.25Å; E47-G528 VanDerWaalsContact OE2-CA 3.31Å; E47-G528 WeakPolarHBondContact OE2-CA 3.45Å; E47-G528 PolarHBondContact OE2-N 3.39Å
48	Y	93.2	Very high	85.6	Confident	1 Å²	1	44.2 Å²	44.2	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.6	163.5	170.8	-91.1	0	0	0	109.9	L38 I39 L51 W52 E57 S59 V61 F62 W76	L38-Y48 WeakPolarHBondContact CA-O 3.33Å; I39-Y48 HydrophobicContact CG2-CD1 4.24Å; I39-Y48 HydrophobicContact CG2-CG 4.45Å; I39-Y48 PolarHBondContact N-O 2.92Å; I39-Y48 PolarHBondContact O-N 3.44Å; Y48-L51 PolarHBondContact OH-O 3.06Å; Y48-W52 AromaticContact CD1-CE2 3.87Å; Y48-W52 AromaticContact CD1-CZ2 3.65Å; Y48-W52 HydrophobicContact CD1-CZ2 3.65Å; Y48-W52 AromaticContact CD1-NE1 3.87Å; Y48-W52 HydrophobicContact CE1-CD2 4.46Å; Y48-W52 AromaticContact CE1-CE2 3.7Å; Y48-W52 AromaticContact CE1-CZ2 3.94Å; Y48-W52 HydrophobicContact CE1-CZ2 3.94Å; Y48-W52 AromaticContact CE1-NE1 3.51Å; Y48-E57 HydrophobicContact CD1-CG 3.69Å; Y48-E57 HydrophobicContact CD2-CB 4.45Å; Y48-E57 HydrophobicContact CD2-CG 3.99Å; Y48-E57 HydrophobicContact CE1-CB 3.96Å; Y48-E57 HydrophobicContact CE1-CG 3.56Å; Y48-E57 HydrophobicContact CE2-CB 3.85Å; Y48-E57 HydrophobicContact CE2-CG 3.87Å; Y48-E57 HydrophobicContact CG-CG 3.9Å; Y48-S59 VanDerWaalsContact OH-C 3.25Å; Y48-S59 PolarHBondContact OH-N 3.3Å; Y48-S59 PolarHBondContact OH-O 3.37Å; Y48-S59 VanDerWaalsContact OH-O 3.1Å; Y48-V61 WeakPolarHBondContact CA-O 3.05Å; Y48-F62 HydrophobicContact CD2-CB 4.49Å; Y48-W76 HydrophobicContact CD2-CZ2 4.3Å; Y48-W76 AromaticContact CE2-CD1 3.76Å; Y48-W76 HydrophobicContact CE2-CD2 4.23Å; Y48-W76 AromaticContact CE2-CE2 3.89Å; Y48-W76 HydrophobicContact CE2-CG 4.18Å; Y48-W76 AromaticContact CE2-NE1 3.58Å
49	T	93.1	Very high	85.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.5	174.8	52.1	0	0	0	0	109.8	L38 E47 G60 V61 S510 R514	L38-T49 HydrophobicContact CB-CG2 4.12Å; L38-T49 HydrophobicContact CD1-CG2 3.65Å; L38-T49 HydrophobicContact CG-CG2 3.76Å; E47-T49 HydrophobicContact CG-CG2 3.97Å; E47-T49 VanDerWaalsContact OE1-CG2 3.24Å; E47-T49 WeakPolarHBondContact OE1-CG2 3.46Å; T49-G60 CarbonylContact O-C 3.52Å; T49-G60 VanDerWaalsContact O-CA 3.28Å; T49-G60 WeakPolarHBondContact O-CA 3.48Å; T49-V61 PolarHBondContact N-O 3.46Å; T49-V61 PolarHBondContact O-N 3.23Å; T49-V61 PolarHBondContact OG1-O 2.87Å; T49-S510 WeakPolarHBondContact OG1-CB 3.32Å; T49-S510 PolarHBondContact OG1-OG 3.04Å; T49-R514 HydrophobicContact CG2-CG 4.49Å
50	G	94.5	Very high	86	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.1	-149.7	173.9	0	0	0	0	0	113.5	G37 W52	G37-G50 PolarHBondContact N-O 3.44Å; G37-G50 PolarHBondContact O-N 3.41Å; G37-G50 VanDerWaalsContact O-N 3.14Å; G50-W52 VanDerWaalsContact O-CD1 3.3Å
51	L	94.5	Very high	86.4	Confident	33 Å²	33	43.6 Å²	43.6	17%	0.173	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.9	-175.3	-169	71.7	0	0	0	112.1	G35 L36 Y48 K58 S59 Y509	G35-L51 CarbonylContact O-C 3.48Å; G35-L51 WeakPolarHBondContact O-CA 3.22Å; L36-L51 HydrophobicContact CD2-CD1 4.17Å; Y48-L51 PolarHBondContact OH-O 3.06Å; L51-K58 HydrophobicContact CD2-CB 4.45Å; L51-K58 HydrophobicContact CD2-CD 3.87Å; L51-K58 HydrophobicContact CD2-CG 4.15Å; L51-K58 HydrophobicContact CG-CB 4.49Å; L51-K58 HydrophobicContact CG-CD 4.49Å; L51-K58 PolarHBondContact O-N 2.85Å; L51-S59 WeakPolarHBondContact CB-O 3.28Å; L51-S59 PolarHBondContact N-O 3.46Å; L51-S59 PolarHBondContact O-N 3.39Å; L51-Y509 HydrophobicContact CB-CD2 4.35Å; L51-Y509 HydrophobicContact CB-CG 4.34Å; L51-Y509 HydrophobicContact CD1-CE1 4.48Å; L51-Y509 HydrophobicContact CD2-CE2 4.42Å
52	W	94	Very high	87.3	Confident	17 Å²	17	40.8 Å²	40.8	6%	0.064	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.3	178	-67.4	79.6	0	0	0	110.7	Y24 A33 V34 G35 G37 I39 Y48 G50 S56 E57	Y24-W52 HydrophobicContact CD2-CZ2 4.14Å; Y24-W52 HydrophobicContact CE2-CD2 4.14Å; Y24-W52 AromaticContact CE2-CE2 3.68Å; Y24-W52 AromaticContact CE2-CZ2 3.89Å; Y24-W52 HydrophobicContact CE2-CZ2 3.89Å; Y24-W52 AromaticContact CE2-NE1 3.8Å; A33-W52 HydrophobicContact CB-CB 4.24Å; A33-W52 HydrophobicContact CB-CD2 3.85Å; A33-W52 HydrophobicContact CB-CE3 3.6Å; A33-W52 HydrophobicContact CB-CG 4.15Å; A33-W52 HydrophobicContact CB-CZ3 4.24Å; V34-W52 CarbonylContact C-O 3.57Å; G35-W52 PolarHBondContact N-O 2.86Å; G35-W52 PolarHBondContact O-N 2.97Å; G37-W52 VanDerWaalsContact C-NE1 3.35Å; G37-W52 PolarHBondContact O-NE1 3.29Å; I39-W52 HydrophobicContact CB-CH2 4.19Å; I39-W52 HydrophobicContact CB-CZ2 3.85Å; I39-W52 HydrophobicContact CD1-CH2 4.18Å; I39-W52 HydrophobicContact CG2-CH2 3.83Å; I39-W52 HydrophobicContact CG2-CZ2 3.55Å; Y48-W52 AromaticContact CD1-CE2 3.87Å; Y48-W52 AromaticContact CD1-CZ2 3.65Å; Y48-W52 HydrophobicContact CD1-CZ2 3.65Å; Y48-W52 AromaticContact CD1-NE1 3.87Å; Y48-W52 HydrophobicContact CE1-CD2 4.46Å; Y48-W52 AromaticContact CE1-CE2 3.7Å; Y48-W52 AromaticContact CE1-CZ2 3.94Å; Y48-W52 HydrophobicContact CE1-CZ2 3.94Å; Y48-W52 AromaticContact CE1-NE1 3.51Å; G50-W52 VanDerWaalsContact O-CD1 3.3Å; W52-S56 WeakPolarHBondContact CA-O 3.38Å; W52-E57 HydrophobicContact CH2-CG 3.97Å; W52-E57 HydrophobicContact CZ2-CG 4.22Å; W52-E57 HydrophobicContact CZ3-CG 4.13Å
53	D	92.2	Very high	88.4	Confident	70 Å²	70	39.4 Å²	39.4	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	119.5	176.9	-165.1	-3.3	0	0	0	109.4	G55 S56 K58	D53-G55 PolarHBondContact O-N 2.95Å; D53-G55 VanDerWaalsContact O-N 3.07Å; D53-S56 PolarHBondContact N-O 3.19Å; D53-S56 PolarHBondContact O-N 2.85Å; D53-K58 HydrophobicContact CB-CB 4.15Å; D53-K58 HydrophobicContact CB-CD 3.66Å; D53-K58 IonicContact OD2-NZ 3.4Å; D53-K58 PolarHBondContact OD2-NZ 3.28Å
54	N	90.5	Very high	89.7	Confident	113 Å²	113	34.2 Å²	34.2	60%	0.604	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	37.2	179.7	-72.8	-33.5	0	0	0	115.5
55	G	90.1	Very high	90.6	Very high	30 Å²	30	31.8 Å²	31.8	31%	0.309	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	8.2	178	0	0	0	0	0	115.1	A33 D53	A33-G55 WeakPolarHBondContact O-CA 3.34Å; A33-G55 PolarHBondContact O-N 3.1Å; D53-G55 PolarHBondContact O-N 2.95Å; D53-G55 VanDerWaalsContact O-N 3.07Å
56	S	92.4	Very high	90.8	Very high	40 Å²	40	33.5 Å²	33.5	28%	0.28	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.9	177.1	-61.7	0	0	0	0	111.8	W52 D53	W52-S56 WeakPolarHBondContact CA-O 3.38Å; D53-S56 PolarHBondContact N-O 3.19Å; D53-S56 PolarHBondContact O-N 2.85Å
57	E	94.1	Very high	90.3	Very high	12 Å²	12	34.5 Å²	34.5	6%	0.056	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137	172.9	-57.5	92	161.7	0	0	110.1	Y48 W52 W76 N79	Y48-E57 HydrophobicContact CD1-CG 3.69Å; Y48-E57 HydrophobicContact CD2-CB 4.45Å; Y48-E57 HydrophobicContact CD2-CG 3.99Å; Y48-E57 HydrophobicContact CE1-CB 3.96Å; Y48-E57 HydrophobicContact CE1-CG 3.56Å; Y48-E57 HydrophobicContact CE2-CB 3.85Å; Y48-E57 HydrophobicContact CE2-CG 3.87Å; Y48-E57 HydrophobicContact CG-CG 3.9Å; W52-E57 HydrophobicContact CH2-CG 3.97Å; W52-E57 HydrophobicContact CZ2-CG 4.22Å; W52-E57 HydrophobicContact CZ3-CG 4.13Å; E57-W76 HydrophobicContact CB-CB 3.72Å; E57-W76 HydrophobicContact CB-CD2 4.28Å; E57-W76 HydrophobicContact CB-CE3 4.48Å; E57-W76 HydrophobicContact CB-CG 3.96Å; E57-W76 CarbonylContact O-C 3.5Å; E57-W76 WeakPolarHBondContact O-CB 3.48Å; E57-N79 WeakPolarHBondContact OE2-CA 3.24Å; E57-N79 VanDerWaalsContact OE2-CB 3.25Å; E57-N79 WeakPolarHBondContact OE2-CB 3.28Å; E57-N79 PolarHBondContact OE2-OD1 3.42Å
58	K	95.2	Very high	89.4	Confident	94 Å²	94	38.9 Å²	38.9	41%	0.409	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	-47.2	-178.9	178.5	167.4	-179.4	169.1	0	113.3	L51 D53 W76	L51-K58 HydrophobicContact CD2-CB 4.45Å; L51-K58 HydrophobicContact CD2-CD 3.87Å; L51-K58 HydrophobicContact CD2-CG 4.15Å; L51-K58 HydrophobicContact CG-CB 4.49Å; L51-K58 HydrophobicContact CG-CD 4.49Å; L51-K58 PolarHBondContact O-N 2.85Å; D53-K58 HydrophobicContact CB-CB 4.15Å; D53-K58 HydrophobicContact CB-CD 3.66Å; D53-K58 IonicContact OD2-NZ 3.4Å; D53-K58 PolarHBondContact OD2-NZ 3.28Å; K58-W76 PolarHBondContact O-N 2.92Å
59	S	96.1	Very high	88.6	Confident	13 Å²	13	39.7 Å²	39.7	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	125.5	178.4	179.7	0	0	0	0	109.6	Y48 L51 G74	Y48-S59 VanDerWaalsContact OH-C 3.25Å; Y48-S59 PolarHBondContact OH-N 3.3Å; Y48-S59 PolarHBondContact OH-O 3.37Å; Y48-S59 VanDerWaalsContact OH-O 3.1Å; L51-S59 WeakPolarHBondContact CB-O 3.28Å; L51-S59 PolarHBondContact N-O 3.46Å; L51-S59 PolarHBondContact O-N 3.39Å; S59-G74 WeakPolarHBondContact CA-O 3.49Å
60	G	95.5	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	-177.8	-174.7	0	0	0	0	0	113.5	T49 G74 W76	T49-G60 CarbonylContact O-C 3.52Å; T49-G60 VanDerWaalsContact O-CA 3.28Å; T49-G60 WeakPolarHBondContact O-CA 3.48Å; G60-G74 PolarHBondContact N-O 3.16Å; G60-G74 PolarHBondContact O-N 3.33Å; G60-W76 PolarHBondContact O-NE1 2.67Å
61	V	95.1	Very high	88.2	Confident	8 Å²	8	41.2 Å²	41.2	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.4	-178.1	-179.1	0	0	0	0	109.5	Y48 T49 L63 Y72 E73 A506 R507	Y48-V61 WeakPolarHBondContact CA-O 3.05Å; T49-V61 PolarHBondContact N-O 3.46Å; T49-V61 PolarHBondContact O-N 3.23Å; T49-V61 PolarHBondContact OG1-O 2.87Å; V61-L63 HydrophobicContact CG1-CD2 4.17Å; V61-L63 HydrophobicContact CG1-CG 4.38Å; V61-Y72 CarbonylContact C-O 3.55Å; V61-Y72 VanDerWaalsContact CA-O 3.27Å; V61-Y72 WeakPolarHBondContact CA-O 3.38Å; V61-E73 HydrophobicContact CG1-CG 4.22Å; V61-E73 HydrophobicContact CG2-CB 4.39Å; V61-E73 HydrophobicContact CG2-CG 4.07Å; V61-A506 HydrophobicContact CG2-CB 4.34Å; V61-R507 HydrophobicContact CG2-CG 4.39Å
62	F	93.5	Very high	88.2	Confident	20 Å²	20	39.6 Å²	39.6	9%	0.088	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.3	171.5	-170.3	-75.8	0	0	0	110.9	Q45 E47 Y48 W64 M71 Y72 W76	Q45-F62 WeakPolarHBondContact O-CZ 3.34Å; E47-F62 CarbonylContact O-C 3.48Å; E47-F62 VanDerWaalsContact O-CA 3.29Å; E47-F62 WeakPolarHBondContact O-CA 3.45Å; Y48-F62 HydrophobicContact CD2-CB 4.49Å; F62-W64 AromaticContact CD1-CD2 3.55Å; F62-W64 HydrophobicContact CD1-CD2 3.55Å; F62-W64 AromaticContact CD1-CE2 3.54Å; F62-W64 AromaticContact CD1-CE3 3.64Å; F62-W64 HydrophobicContact CD1-CE3 3.64Å; F62-W64 HydrophobicContact CD1-CG 4.19Å; F62-W64 AromaticContact CD1-CH2 3.74Å; F62-W64 HydrophobicContact CD1-CH2 3.74Å; F62-W64 AromaticContact CD1-CZ2 3.65Å; F62-W64 HydrophobicContact CD1-CZ2 3.65Å; F62-W64 AromaticContact CD1-CZ3 3.73Å; F62-W64 HydrophobicContact CD1-CZ3 3.73Å; F62-W64 AromaticContact CE1-CD1 3.7Å; F62-W64 AromaticContact CE1-CD2 3.56Å; F62-W64 HydrophobicContact CE1-CD2 3.56Å; F62-W64 AromaticContact CE1-CE2 3.4Å; F62-W64 HydrophobicContact CE1-CE3 4.15Å; F62-W64 AromaticContact CE1-CG 3.77Å; F62-W64 HydrophobicContact CE1-CG 3.77Å; F62-W64 HydrophobicContact CE1-CH2 4.42Å; F62-W64 AromaticContact CE1-CZ2 3.88Å; F62-W64 HydrophobicContact CE1-CZ2 3.88Å; F62-W64 AromaticContact CE1-NE1 3.48Å; F62-W64 HydrophobicContact CG-CH2 4.36Å; F62-W64 HydrophobicContact CG-CZ2 4.45Å; F62-M71 CarbonylContact O-C 3.55Å; F62-M71 VanDerWaalsContact O-CA 3.23Å; F62-M71 WeakPolarHBondContact O-CA 3.21Å; F62-Y72 PolarHBondContact N-O 3.13Å; F62-Y72 PolarHBondContact O-N 3.2Å; F62-W76 HydrophobicContact CB-CH2 3.72Å; F62-W76 HydrophobicContact CB-CZ2 3.42Å; F62-W76 VanDerWaalsContact CB-CZ2 3.42Å; F62-W76 AromaticContact CD2-CH2 3.94Å; F62-W76 HydrophobicContact CD2-CH2 3.94Å; F62-W76 HydrophobicContact CD2-CZ2 4.36Å; F62-W76 AromaticContact CG-CH2 3.97Å; F62-W76 HydrophobicContact CG-CH2 3.97Å; F62-W76 HydrophobicContact CG-CZ2 4.18Å
63	L	90.3	Very high	88.3	Confident	17 Å²	17	40.1 Å²	40.1	9%	0.089	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	126.1	179.1	-59.9	174.8	0	0	0	110.5	G46 E47 V61 M71 Y531	G46-L63 VanDerWaalsContact CA-O 3.25Å; G46-L63 WeakPolarHBondContact CA-O 3.4Å; E47-L63 PolarHBondContact N-O 2.85Å; E47-L63 VanDerWaalsContact N-O 3.11Å; E47-L63 PolarHBondContact O-N 3.31Å; V61-L63 HydrophobicContact CG1-CD2 4.17Å; V61-L63 HydrophobicContact CG1-CG 4.38Å; L63-M71 HydrophobicContact CD2-CB 3.68Å; L63-Y531 HydrophobicContact CB-CD2 4.23Å; L63-Y531 HydrophobicContact CD1-CD2 4.48Å
64	W	85.3	Confident	88.6	Confident	76 Å²	76	36.8 Å²	36.8	29%	0.288	21%	0.211	S	C	.	.			trans	-92.2	126.3	176.7	-77.4	-88.2	0	0	0	111.7	F62 A67 A70 F87	F62-W64 AromaticContact CD1-CD2 3.55Å; F62-W64 HydrophobicContact CD1-CD2 3.55Å; F62-W64 AromaticContact CD1-CE2 3.54Å; F62-W64 AromaticContact CD1-CE3 3.64Å; F62-W64 HydrophobicContact CD1-CE3 3.64Å; F62-W64 HydrophobicContact CD1-CG 4.19Å; F62-W64 AromaticContact CD1-CH2 3.74Å; F62-W64 HydrophobicContact CD1-CH2 3.74Å; F62-W64 AromaticContact CD1-CZ2 3.65Å; F62-W64 HydrophobicContact CD1-CZ2 3.65Å; F62-W64 AromaticContact CD1-CZ3 3.73Å; F62-W64 HydrophobicContact CD1-CZ3 3.73Å; F62-W64 AromaticContact CE1-CD1 3.7Å; F62-W64 AromaticContact CE1-CD2 3.56Å; F62-W64 HydrophobicContact CE1-CD2 3.56Å; F62-W64 AromaticContact CE1-CE2 3.4Å; F62-W64 HydrophobicContact CE1-CE3 4.15Å; F62-W64 AromaticContact CE1-CG 3.77Å; F62-W64 HydrophobicContact CE1-CG 3.77Å; F62-W64 HydrophobicContact CE1-CH2 4.42Å; F62-W64 AromaticContact CE1-CZ2 3.88Å; F62-W64 HydrophobicContact CE1-CZ2 3.88Å; F62-W64 AromaticContact CE1-NE1 3.48Å; F62-W64 HydrophobicContact CG-CH2 4.36Å; F62-W64 HydrophobicContact CG-CZ2 4.45Å; W64-A67 HydrophobicContact CB-CB 4.15Å; W64-A70 HydrophobicContact CB-CB 4.14Å; W64-A70 HydrophobicContact CE3-CB 4.08Å; W64-A70 PolarHBondContact N-O 3.43Å; W64-F87 HydrophobicContact CE3-CE2 4.12Å; W64-F87 HydrophobicContact CH2-CD2 4.29Å; W64-F87 AromaticContact CH2-CE2 3.81Å; W64-F87 HydrophobicContact CH2-CE2 3.81Å; W64-F87 HydrophobicContact CZ3-CD2 4.01Å; W64-F87 AromaticContact CZ3-CE2 3.5Å; W64-F87 HydrophobicContact CZ3-CE2 3.5Å; W64-F87 VanDerWaalsContact CZ3-CE2 3.5Å
65	P	76.1	Confident	88.9	Confident	28 Å²	28	35.1 Å²	35.1	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-33.5	-175	30.1	-31.1	0	0	0	111.4	C44 A67 Y531	C44-P65 VanDerWaalsContact C-CG 3.41Å; C44-P65 WeakPolarHBondContact O-CG 3.24Å; P65-A67 VanDerWaalsContact C-N 3.29Å; P65-A67 PolarHBondContact O-N 2.68Å; P65-Y531 HydrophobicContact CB-CE1 4.14Å; P65-Y531 HydrophobicContact CB-CE2 4.31Å
66	N	77.2	Confident	89.3	Confident	125 Å²	125	34.8 Å²	34.8	67%	0.668	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.8	-178.4	-59.9	-24.2	0	0	0	113.3	C44	C44-N66 PolarHBondContact O-ND2 2.9Å
67	A	74.1	Confident	89.4	Confident	27 Å²	27	34 Å²	34	22%	0.223	19%	0.185	C	C	.	.	S	Bend	trans	-135.2	86.1	178	0	0	0	0	0	108.3	W64 P65 G69 A70	W64-A67 HydrophobicContact CB-CB 4.15Å; P65-A67 VanDerWaalsContact C-N 3.29Å; P65-A67 PolarHBondContact O-N 2.68Å; A67-G69 PolarHBondContact O-N 3.36Å; A67-A70 HydrophobicContact CB-CB 3.57Å; A67-A70 WeakPolarHBondContact O-CB 3.4Å; A67-A70 PolarHBondContact O-N 3.25Å
68	P	71	Confident	89.2	Confident	92 Å²	92	40.8 Å²	40.8	60%	0.597	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	129.9	179.7	-26.3	34.3	0	0	0	111.4	A70 L538	P68-A70 PolarHBondContact O-N 3.01Å; P68-L538 HydrophobicContact CB-CD1 4.22Å
69	G	75.1	Confident	89	Confident	19 Å²	19	40.5 Å²	40.5	20%	0.196	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-3.5	-176.8	0	0	0	0	0	115.7	A67 M71 M535	A67-G69 PolarHBondContact O-N 3.36Å; G69-M71 PolarHBondContact O-N 3.26Å; G69-M535 VanDerWaalsContact CA-SD 3.6Å
70	A	87.9	Confident	88.8	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.041	24%	0.236	C	C	.	.			trans	-75.3	117.9	171.1	0	0	0	0	0	110.2	W64 A67 P68 T88 R89	W64-A70 HydrophobicContact CB-CB 4.14Å; W64-A70 HydrophobicContact CE3-CB 4.08Å; W64-A70 PolarHBondContact N-O 3.43Å; A67-A70 HydrophobicContact CB-CB 3.57Å; A67-A70 WeakPolarHBondContact O-CB 3.4Å; A67-A70 PolarHBondContact O-N 3.25Å; P68-A70 PolarHBondContact O-N 3.01Å; A70-T88 CarbonylContact C-O 3.54Å; A70-T88 WeakPolarHBondContact CA-O 3.49Å; A70-R89 HydrophobicContact CB-CB 4.16Å; A70-R89 HydrophobicContact CB-CG 4.11Å
71	M	91.4	Very high	88.8	Confident	26 Å²	26	47.6 Å²	47.6	13%	0.128	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	148.4	178.2	66.5	177.3	77.3	0	0	111.4	F62 L63 G69 E73 F87 T88 M535	F62-M71 CarbonylContact O-C 3.55Å; F62-M71 VanDerWaalsContact O-CA 3.23Å; F62-M71 WeakPolarHBondContact O-CA 3.21Å; L63-M71 HydrophobicContact CD2-CB 3.68Å; G69-M71 PolarHBondContact O-N 3.26Å; M71-E73 HydrophobicContact SD-CG 4.45Å; M71-F87 CarbonylContact O-C 3.56Å; M71-F87 WeakPolarHBondContact O-CA 3.01Å; M71-F87 VanDerWaalsContact O-CD2 3.28Å; M71-F87 WeakPolarHBondContact O-CD2 3.48Å; M71-T88 PolarHBondContact N-O 3.41Å; M71-T88 PolarHBondContact O-N 2.92Å; M71-M535 HydrophobicContact CE-CE 4.16Å; M71-M535 HydrophobicContact CE-SD 3.92Å
72	Y	95.8	Very high	88.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	170.4	176.2	-94.5	0	0	0	109.3	V61 F62 E75 W76 R81 I86 F87 F98	V61-Y72 CarbonylContact C-O 3.55Å; V61-Y72 VanDerWaalsContact CA-O 3.27Å; V61-Y72 WeakPolarHBondContact CA-O 3.38Å; F62-Y72 PolarHBondContact N-O 3.13Å; F62-Y72 PolarHBondContact O-N 3.2Å; Y72-E75 VanDerWaalsContact CE1-O 3.29Å; Y72-E75 WeakPolarHBondContact CE1-O 3.19Å; Y72-E75 PolarHBondContact OH-O 3.41Å; Y72-W76 AromaticContact CD1-CE2 3.52Å; Y72-W76 HydrophobicContact CD1-CH2 4.3Å; Y72-W76 AromaticContact CD1-CZ2 3.35Å; Y72-W76 HydrophobicContact CD1-CZ2 3.35Å; Y72-W76 AromaticContact CD1-NE1 3.53Å; Y72-W76 HydrophobicContact CE1-CD2 4.4Å; Y72-W76 AromaticContact CE1-CE2 3.69Å; Y72-W76 AromaticContact CE1-CZ2 3.97Å; Y72-W76 HydrophobicContact CE1-CZ2 3.97Å; Y72-W76 AromaticContact CE1-NE1 3.5Å; Y72-W76 HydrophobicContact CG-CZ2 4.21Å; Y72-R81 HydrophobicContact CD1-CG 3.77Å; Y72-R81 HydrophobicContact CD2-CB 4.41Å; Y72-R81 HydrophobicContact CD2-CG 3.9Å; Y72-R81 HydrophobicContact CE1-CB 4.1Å; Y72-R81 HydrophobicContact CE1-CG 3.8Å; Y72-R81 HydrophobicContact CE2-CB 3.96Å; Y72-R81 HydrophobicContact CE2-CG 3.94Å; Y72-R81 HydrophobicContact CG-CG 3.78Å; Y72-I86 CarbonylContact C-O 3.56Å; Y72-I86 VanDerWaalsContact CA-O 3.32Å; Y72-I86 WeakPolarHBondContact CA-O 3.49Å; Y72-F87 HydrophobicContact CD2-CB 3.99Å; Y72-F98 HydrophobicContact CE2-CD1 4.37Å; Y72-F98 AromaticContact CE2-CD2 3.88Å; Y72-F98 HydrophobicContact CE2-CD2 3.88Å; Y72-F98 HydrophobicContact CE2-CE1 4.36Å; Y72-F98 AromaticContact CE2-CE2 3.9Å; Y72-F98 HydrophobicContact CE2-CE2 3.9Å; Y72-F98 HydrophobicContact CE2-CG 4.14Å; Y72-F98 HydrophobicContact CE2-CZ 4.13Å
73	E	96.2	Very high	89.1	Confident	27 Å²	27	49.2 Å²	49.2	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	112	-179.5	-52.3	-179.1	-73.4	0	0	108.2	V61 M71 G85 I86 A503 R507	V61-E73 HydrophobicContact CG1-CG 4.22Å; V61-E73 HydrophobicContact CG2-CB 4.39Å; V61-E73 HydrophobicContact CG2-CG 4.07Å; M71-E73 HydrophobicContact SD-CG 4.45Å; E73-G85 CarbonylContact O-C 3.55Å; E73-G85 WeakPolarHBondContact O-CA 3.34Å; E73-I86 PolarHBondContact N-O 3.46Å; E73-I86 PolarHBondContact O-N 3Å; E73-A503 HydrophobicContact CB-CB 3.81Å; E73-R507 WeakPolarHBondContact OE2-CD 3.4Å; E73-R507 WeakPolarHBondContact OE2-CG 3.16Å; E73-R507 IonicContact OE2-NE 3.33Å
74	G	97.4	Very high	89.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-152.2	177.7	0	0	0	0	0	114.1	S59 G60 W76 Y84	S59-G74 WeakPolarHBondContact CA-O 3.49Å; G60-G74 PolarHBondContact N-O 3.16Å; G60-G74 PolarHBondContact O-N 3.33Å; G74-W76 VanDerWaalsContact O-CD1 3.23Å; G74-Y84 WeakPolarHBondContact CA-O 3.42Å
75	E	97.7	Very high	90	Very high	79 Å²	79	47.9 Å²	47.9	37%	0.369	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	153	-177.4	-66.2	178.7	147	0	0	112.4	Y72 N82 G83 Y84 A502	Y72-E75 VanDerWaalsContact CE1-O 3.29Å; Y72-E75 WeakPolarHBondContact CE1-O 3.19Å; Y72-E75 PolarHBondContact OH-O 3.41Å; E75-N82 CarbonylContact C-O 3.26Å; E75-N82 WeakPolarHBondContact CA-O 3.45Å; E75-N82 WeakPolarHBondContact CB-O 3.05Å; E75-N82 PolarHBondContact O-N 3.33Å; E75-G83 VanDerWaalsContact OE2-CA 3.25Å; E75-G83 WeakPolarHBondContact OE2-CA 3.45Å; E75-Y84 PolarHBondContact N-O 3.28Å; E75-Y84 PolarHBondContact OE2-N 3.49Å; E75-A502 HydrophobicContact CG-CB 4.39Å
76	W	97.2	Very high	91	Very high	23 Å²	23	47.5 Å²	47.5	9%	0.087	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.4	-178	-67.9	80.4	0	0	0	110.3	Y48 E57 K58 G60 F62 Y72 G74 R80 R81	Y48-W76 HydrophobicContact CD2-CZ2 4.3Å; Y48-W76 AromaticContact CE2-CD1 3.76Å; Y48-W76 HydrophobicContact CE2-CD2 4.23Å; Y48-W76 AromaticContact CE2-CE2 3.89Å; Y48-W76 HydrophobicContact CE2-CG 4.18Å; Y48-W76 AromaticContact CE2-NE1 3.58Å; E57-W76 HydrophobicContact CB-CB 3.72Å; E57-W76 HydrophobicContact CB-CD2 4.28Å; E57-W76 HydrophobicContact CB-CE3 4.48Å; E57-W76 HydrophobicContact CB-CG 3.96Å; E57-W76 CarbonylContact O-C 3.5Å; E57-W76 WeakPolarHBondContact O-CB 3.48Å; K58-W76 PolarHBondContact O-N 2.92Å; G60-W76 PolarHBondContact O-NE1 2.67Å; F62-W76 HydrophobicContact CB-CH2 3.72Å; F62-W76 HydrophobicContact CB-CZ2 3.42Å; F62-W76 VanDerWaalsContact CB-CZ2 3.42Å; F62-W76 AromaticContact CD2-CH2 3.94Å; F62-W76 HydrophobicContact CD2-CH2 3.94Å; F62-W76 HydrophobicContact CD2-CZ2 4.36Å; F62-W76 AromaticContact CG-CH2 3.97Å; F62-W76 HydrophobicContact CG-CH2 3.97Å; F62-W76 HydrophobicContact CG-CZ2 4.18Å; Y72-W76 AromaticContact CD1-CE2 3.52Å; Y72-W76 HydrophobicContact CD1-CH2 4.3Å; Y72-W76 AromaticContact CD1-CZ2 3.35Å; Y72-W76 HydrophobicContact CD1-CZ2 3.35Å; Y72-W76 AromaticContact CD1-NE1 3.53Å; Y72-W76 HydrophobicContact CE1-CD2 4.4Å; Y72-W76 AromaticContact CE1-CE2 3.69Å; Y72-W76 AromaticContact CE1-CZ2 3.97Å; Y72-W76 HydrophobicContact CE1-CZ2 3.97Å; Y72-W76 AromaticContact CE1-NE1 3.5Å; Y72-W76 HydrophobicContact CG-CZ2 4.21Å; G74-W76 VanDerWaalsContact O-CD1 3.23Å; W76-R80 WeakPolarHBondContact CA-O 3.3Å; W76-R81 HydrophobicContact CE3-CG 4.46Å; W76-R81 HydrophobicContact CH2-CG 3.83Å; W76-R81 HydrophobicContact CZ2-CG 4.15Å; W76-R81 HydrophobicContact CZ3-CG 4Å
77	A	94.6	Very high	91.9	Very high	23 Å²	23	42.9 Å²	42.9	19%	0.19	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	138.2	167.7	0	0	0	0	0	110.2	N79 R80 N82	A77-N79 PolarHBondContact O-N 2.9Å; A77-R80 PolarHBondContact N-O 3.32Å; A77-R80 PolarHBondContact O-N 2.94Å; A77-N82 HydrophobicContact CB-CB 3.81Å; A77-N82 VanDerWaalsContact CB-ND2 3.26Å; A77-N82 WeakPolarHBondContact CB-ND2 3.26Å
78	H	91.3	Very high	92.8	Very high	154 Å²	154	42.5 Å²	42.5	71%	0.713	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.7	-179.7	-50.4	99.3	0	0	0	112.8	R80	H78-R80 PolarHBondContact O-N 2.93Å
79	N	89.7	Confident	93.6	Very high	89 Å²	89	44 Å²	44	48%	0.476	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	25.4	179	-42.5	-0.6	0	0	0	113.8	E57 A77	E57-N79 WeakPolarHBondContact OE2-CA 3.24Å; E57-N79 VanDerWaalsContact OE2-CB 3.25Å; E57-N79 WeakPolarHBondContact OE2-CB 3.28Å; E57-N79 PolarHBondContact OE2-OD1 3.42Å; A77-N79 PolarHBondContact O-N 2.9Å
80	R	93.6	Very high	93.9	Very high	120 Å²	120	49 Å²	49	45%	0.453	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.3	174.3	-64.1	-174.3	-178.1	-101	5	110.3	W76 A77 H78 N82 D101	W76-R80 WeakPolarHBondContact CA-O 3.3Å; A77-R80 PolarHBondContact N-O 3.32Å; A77-R80 PolarHBondContact O-N 2.94Å; H78-R80 PolarHBondContact O-N 2.93Å; R80-N82 PolarHBondContact O-N 2.89Å; R80-D101 WeakPolarHBondContact CD-OD2 3.23Å; R80-D101 WeakPolarHBondContact CG-OD2 3.42Å; R80-D101 IonicContact CZ-OD2 3.48Å; R80-D101 IonicContact NE-OD2 2.62Å; R80-D101 IonicContact NH1-OD2 3.08Å; R80-D101 PolarHBondContact NH1-OD2 3.48Å
81	R	95.1	Very high	93.7	Very high	42 Å²	42	53.6 Å²	53.6	16%	0.158	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	123.1	172	-62.2	167	-73.5	-178	2	108.4	Y72 W76 F98 D100 D101	Y72-R81 HydrophobicContact CD1-CG 3.77Å; Y72-R81 HydrophobicContact CD2-CB 4.41Å; Y72-R81 HydrophobicContact CD2-CG 3.9Å; Y72-R81 HydrophobicContact CE1-CB 4.1Å; Y72-R81 HydrophobicContact CE1-CG 3.8Å; Y72-R81 HydrophobicContact CE2-CB 3.96Å; Y72-R81 HydrophobicContact CE2-CG 3.94Å; Y72-R81 HydrophobicContact CG-CG 3.78Å; W76-R81 HydrophobicContact CE3-CG 4.46Å; W76-R81 HydrophobicContact CH2-CG 3.83Å; W76-R81 HydrophobicContact CZ2-CG 4.15Å; W76-R81 HydrophobicContact CZ3-CG 4Å; R81-F98 HydrophobicContact CB-CB 4.41Å; R81-F98 HydrophobicContact CB-CD1 4.45Å; R81-D100 PolarHBondContact O-N 3.45Å; R81-D101 PolarHBondContact N-OD1 3.4Å; R81-D101 IonicContact NE-OD1 3.43Å; R81-D101 PolarHBondContact NE-OD1 2.85Å; R81-D101 PolarHBondContact NH2-O 2.94Å; R81-D101 IonicContact NH2-OD1 3.79Å; R81-D101 PolarHBondContact O-N 3.35Å
82	N	96.4	Very high	93.6	Very high	48 Å²	48	56.7 Å²	56.7	26%	0.257	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.3	-173.9	-163.8	27.7	0	0	0	109.8	E75 A77 R80 F98 K99	E75-N82 CarbonylContact C-O 3.26Å; E75-N82 WeakPolarHBondContact CA-O 3.45Å; E75-N82 WeakPolarHBondContact CB-O 3.05Å; E75-N82 PolarHBondContact O-N 3.33Å; A77-N82 HydrophobicContact CB-CB 3.81Å; A77-N82 VanDerWaalsContact CB-ND2 3.26Å; A77-N82 WeakPolarHBondContact CB-ND2 3.26Å; R80-N82 PolarHBondContact O-N 2.89Å; N82-F98 CarbonylContact C-O 3.55Å; N82-F98 WeakPolarHBondContact CA-O 3.34Å; N82-F98 PolarHBondContact OD1-O 3.31Å; N82-K99 WeakPolarHBondContact OD1-CA 3.14Å
83	G	97.1	Very high	93.5	Very high	14 Å²	14	57.3 Å²	57.3	14%	0.144	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.5	-144.1	-176.3	0	0	0	0	0	111.5	E75 Q97 F98	E75-G83 VanDerWaalsContact OE2-CA 3.25Å; E75-G83 WeakPolarHBondContact OE2-CA 3.45Å; G83-Q97 CarbonylContact O-C 3.59Å; G83-Q97 WeakPolarHBondContact O-CA 3.36Å; G83-F98 PolarHBondContact N-O 3.03Å; G83-F98 PolarHBondContact O-N 2.86Å
84	Y	98.3	Very high	93.5	Very high	64 Å²	64	57.4 Å²	57.4	25%	0.251	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.5	-177.1	-58.5	-84.3	0	0	0	112.4	G74 E75 G96 Q97 A495 L498 A502	G74-Y84 WeakPolarHBondContact CA-O 3.42Å; E75-Y84 PolarHBondContact N-O 3.28Å; E75-Y84 PolarHBondContact OE2-N 3.49Å; Y84-G96 WeakPolarHBondContact CA-O 3.11Å; Y84-Q97 HydrophobicContact CD1-CB 4.07Å; Y84-Q97 HydrophobicContact CD1-CG 4.41Å; Y84-Q97 HydrophobicContact CE1-CB 3.91Å; Y84-Q97 HydrophobicContact CE1-CG 4.12Å; Y84-A495 HydrophobicContact CD1-CB 4.47Å; Y84-A495 HydrophobicContact CE1-CB 4.06Å; Y84-L498 HydrophobicContact CD1-CB 3.81Å; Y84-L498 HydrophobicContact CD2-CB 4.18Å; Y84-L498 HydrophobicContact CE1-CB 4.04Å; Y84-L498 HydrophobicContact CE1-CD1 3.92Å; Y84-L498 HydrophobicContact CE2-CB 4.39Å; Y84-L498 HydrophobicContact CE2-CD1 3.93Å; Y84-L498 HydrophobicContact CG-CB 3.88Å; Y84-A502 WeakPolarHBondContact O-CB 3.25Å
85	G	97.5	Very high	93.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174	177.4	177.6	0	0	0	0	0	114.8	E73 G96 F98 S499	E73-G85 CarbonylContact O-C 3.55Å; E73-G85 WeakPolarHBondContact O-CA 3.34Å; G85-G96 PolarHBondContact N-O 3.28Å; G85-G96 PolarHBondContact O-N 2.88Å; G85-G96 VanDerWaalsContact O-N 3.09Å; G85-F98 WeakPolarHBondContact O-CE2 3.25Å; G85-S499 WeakPolarHBondContact O-CB 3.48Å
86	I	97.5	Very high	93.4	Very high	20 Å²	20	54.8 Å²	54.8	10%	0.103	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.3	178.2	-57.9	-174.4	0	0	0	107.8	Y72 E73 V93 I94 M95 K500 A503	Y72-I86 CarbonylContact C-O 3.56Å; Y72-I86 VanDerWaalsContact CA-O 3.32Å; Y72-I86 WeakPolarHBondContact CA-O 3.49Å; E73-I86 PolarHBondContact N-O 3.46Å; E73-I86 PolarHBondContact O-N 3Å; I86-V93 HydrophobicContact CG2-CG1 3.82Å; I86-I94 CarbonylContact C-O 3.58Å; I86-I94 WeakPolarHBondContact CA-O 3.28Å; I86-M95 HydrophobicContact CB-CG 4.4Å; I86-M95 HydrophobicContact CD1-CG 4.16Å; I86-M95 HydrophobicContact CD1-SD 4.26Å; I86-M95 HydrophobicContact CG1-CB 4.39Å; I86-M95 HydrophobicContact CG1-CG 3.89Å; I86-M95 HydrophobicContact CG2-CG 3.99Å; I86-K500 HydrophobicContact CD1-CG 4.21Å; I86-A503 HydrophobicContact CB-CB 4.28Å; I86-A503 HydrophobicContact CD1-CB 3.7Å; I86-A503 HydrophobicContact CG1-CB 3.82Å
87	F	95.7	Very high	93.4	Very high	28 Å²	28	57.4 Å²	57.4	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.4	173.1	-178.3	-125.3	0	0	0	109.2	W64 M71 Y72 R89 I94 F98	W64-F87 HydrophobicContact CE3-CE2 4.12Å; W64-F87 HydrophobicContact CH2-CD2 4.29Å; W64-F87 AromaticContact CH2-CE2 3.81Å; W64-F87 HydrophobicContact CH2-CE2 3.81Å; W64-F87 HydrophobicContact CZ3-CD2 4.01Å; W64-F87 AromaticContact CZ3-CE2 3.5Å; W64-F87 HydrophobicContact CZ3-CE2 3.5Å; W64-F87 VanDerWaalsContact CZ3-CE2 3.5Å; M71-F87 CarbonylContact O-C 3.56Å; M71-F87 WeakPolarHBondContact O-CA 3.01Å; M71-F87 VanDerWaalsContact O-CD2 3.28Å; M71-F87 WeakPolarHBondContact O-CD2 3.48Å; Y72-F87 HydrophobicContact CD2-CB 3.99Å; F87-R89 HydrophobicContact CE1-CB 4.03Å; F87-R89 HydrophobicContact CZ-CB 3.9Å; F87-I94 HydrophobicContact CB-CB 4.29Å; F87-I94 HydrophobicContact CD1-CD1 4.2Å; F87-I94 PolarHBondContact N-O 2.94Å; F87-I94 PolarHBondContact O-N 3.4Å; F87-F98 HydrophobicContact CB-CE1 4.32Å; F87-F98 HydrophobicContact CB-CZ 3.94Å
88	T	92.4	Very high	93.6	Very high	20 Å²	20	56.6 Å²	56.6	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136	174.2	-57.2	0	0	0	0	108.5	A70 M71 W92 V93	A70-T88 CarbonylContact C-O 3.54Å; A70-T88 WeakPolarHBondContact CA-O 3.49Å; M71-T88 PolarHBondContact N-O 3.41Å; M71-T88 PolarHBondContact O-N 2.92Å; T88-W92 CarbonylContact C-O 3.54Å; T88-W92 WeakPolarHBondContact CA-O 3.29Å; T88-V93 HydrophobicContact CG2-CG2 4.28Å
89	R	87.4	Confident	93.8	Very high	123 Å²	123	54.7 Å²	54.7	46%	0.464	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	125.8	173.8	173.9	176.8	168.9	172.1	1.2	109.9	A70 F87 D91 W92	A70-R89 HydrophobicContact CB-CB 4.16Å; A70-R89 HydrophobicContact CB-CG 4.11Å; F87-R89 HydrophobicContact CE1-CB 4.03Å; F87-R89 HydrophobicContact CZ-CB 3.9Å; R89-D91 PolarHBondContact O-N 3.03Å; R89-W92 PolarHBondContact N-O 2.83Å; R89-W92 WeakPolarHBondContact O-CB 3.48Å; R89-W92 PolarHBondContact O-N 3.46Å
90	E	82.3	Confident	94	Very high	125 Å²	125	54.1 Å²	54.1	58%	0.584	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	-129.3	-175.2	-59	157.1	-148.7	0	0	108.6	W92	E90-W92 VanDerWaalsContact C-N 3.3Å
91	D	83.8	Confident	94	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6	175.6	-53.4	-25.1	0	0	0	113.7	R89 K110	R89-D91 PolarHBondContact O-N 3.03Å; D91-K110 HydrophobicContact CB-CD 4.05Å; D91-K110 HydrophobicContact CB-CG 4.17Å; D91-K110 VanDerWaalsContact O-CA 3.27Å; D91-K110 WeakPolarHBondContact O-CA 3.16Å; D91-K110 IonicContact OD2-NZ 2.86Å; D91-K110 PolarHBondContact OD2-NZ 3.25Å
92	W	89.6	Confident	94	Very high	91 Å²	91	53 Å²	53	35%	0.345	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.6	-168.9	-63.1	97.7	0	0	0	111.6	T88 R89 E90 K108 C109 K110	T88-W92 CarbonylContact C-O 3.54Å; T88-W92 WeakPolarHBondContact CA-O 3.29Å; R89-W92 PolarHBondContact N-O 2.83Å; R89-W92 WeakPolarHBondContact O-CB 3.48Å; R89-W92 PolarHBondContact O-N 3.46Å; E90-W92 VanDerWaalsContact C-N 3.3Å; W92-K108 HydrophobicContact CE3-CD 4.3Å; W92-K108 VanDerWaalsContact CE3-CE 3.48Å; W92-K108 HydrophobicContact CE3-CG 3.83Å; W92-K108 HydrophobicContact CZ3-CD 4.5Å; W92-K108 HydrophobicContact CZ3-CG 4.17Å; W92-C109 WeakPolarHBondContact CA-O 3.42Å; W92-K110 HydrophobicContact CD2-CG 4.05Å; W92-K110 HydrophobicContact CE3-CG 3.77Å; W92-K110 HydrophobicContact CH2-CD 4.46Å; W92-K110 HydrophobicContact CH2-CG 4.19Å; W92-K110 HydrophobicContact CZ2-CD 4.46Å; W92-K110 VanDerWaalsContact CZ2-CE 3.4Å; W92-K110 HydrophobicContact CZ2-CG 4.43Å; W92-K110 HydrophobicContact CZ3-CG 3.85Å
93	V	93.8	Very high	94	Very high	14 Å²	14	51.1 Å²	51.1	9%	0.085	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.2	171.2	-175.7	0	0	0	0	108.1	I86 T88 M95 K108 C109 E111	I86-V93 HydrophobicContact CG2-CG1 3.82Å; T88-V93 HydrophobicContact CG2-CG2 4.28Å; V93-M95 HydrophobicContact CG1-CE 4.47Å; V93-M95 HydrophobicContact CG1-CG 3.85Å; V93-M95 HydrophobicContact CG1-SD 4.25Å; V93-K108 WeakPolarHBondContact O-CA 3.41Å; V93-C109 PolarHBondContact N-O 3Å; V93-C109 PolarHBondContact O-N 3.41Å; V93-E111 HydrophobicContact CG2-CG 3.65Å
94	I	95.8	Very high	93.9	Very high	28 Å²	28	53.9 Å²	53.9	14%	0.144	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.7	-179.3	-62.3	173.6	0	0	0	108.2	I86 F87 F98 I103 I107 K108	I86-I94 CarbonylContact C-O 3.58Å; I86-I94 WeakPolarHBondContact CA-O 3.28Å; F87-I94 HydrophobicContact CB-CB 4.29Å; F87-I94 HydrophobicContact CD1-CD1 4.2Å; F87-I94 PolarHBondContact N-O 2.94Å; F87-I94 PolarHBondContact O-N 3.4Å; I94-F98 HydrophobicContact CG2-CZ 3.97Å; I94-I103 HydrophobicContact CG2-CB 4.33Å; I94-I103 HydrophobicContact CG2-CD1 3.35Å; I94-I103 HydrophobicContact CG2-CG1 4.42Å; I94-I103 HydrophobicContact CG2-CG2 4.38Å; I94-I107 CarbonylContact C-O 3.55Å; I94-I107 WeakPolarHBondContact CA-O 3.36Å; I94-K108 HydrophobicContact CD1-CD 4.39Å; I94-K108 HydrophobicContact CD1-CG 4.44Å; I94-K108 HydrophobicContact CG1-CB 4.18Å; I94-K108 HydrophobicContact CG1-CD 4.41Å; I94-K108 HydrophobicContact CG1-CG 3.93Å
95	M	96.6	Very high	93.7	Very high	25 Å²	25	51.6 Å²	51.6	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132	-175.1	-58.1	178.2	-79.7	0	0	109.9	I86 V93 G106 I107 V496	I86-M95 HydrophobicContact CB-CG 4.4Å; I86-M95 HydrophobicContact CD1-CG 4.16Å; I86-M95 HydrophobicContact CD1-SD 4.26Å; I86-M95 HydrophobicContact CG1-CB 4.39Å; I86-M95 HydrophobicContact CG1-CG 3.89Å; I86-M95 HydrophobicContact CG2-CG 3.99Å; V93-M95 HydrophobicContact CG1-CE 4.47Å; V93-M95 HydrophobicContact CG1-CG 3.85Å; V93-M95 HydrophobicContact CG1-SD 4.25Å; M95-G106 CarbonylContact O-C 3.55Å; M95-G106 WeakPolarHBondContact O-CA 3.48Å; M95-I107 HydrophobicContact CE-CB 4.44Å; M95-I107 HydrophobicContact CE-CG2 4.39Å; M95-I107 PolarHBondContact N-O 3.08Å; M95-I107 PolarHBondContact O-N 3.13Å; M95-V496 HydrophobicContact CB-CG1 4.42Å; M95-V496 HydrophobicContact CB-CG2 4.41Å; M95-V496 HydrophobicContact CE-CG1 4.49Å; M95-V496 HydrophobicContact SD-CG1 4.32Å
96	G	96.9	Very high	93.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.3	-148.6	172.4	0	0	0	0	0	113.7	Y84 G85 F98 C105	Y84-G96 WeakPolarHBondContact CA-O 3.11Å; G85-G96 PolarHBondContact N-O 3.28Å; G85-G96 PolarHBondContact O-N 2.88Å; G85-G96 VanDerWaalsContact O-N 3.09Å; G96-F98 WeakPolarHBondContact O-CD2 3.32Å; G96-C105 WeakPolarHBondContact CA-O 3.41Å
97	Q	97.2	Very high	93.6	Very high	78 Å²	78	51.3 Å²	51.3	36%	0.364	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.1	-179.1	-168.2	-178.7	28.1	0	0	111.3	G83 Y84 I103 K104 C105	G83-Q97 CarbonylContact O-C 3.59Å; G83-Q97 WeakPolarHBondContact O-CA 3.36Å; Y84-Q97 HydrophobicContact CD1-CB 4.07Å; Y84-Q97 HydrophobicContact CD1-CG 4.41Å; Y84-Q97 HydrophobicContact CE1-CB 3.91Å; Y84-Q97 HydrophobicContact CE1-CG 4.12Å; Q97-I103 CarbonylContact O-C 3.48Å; Q97-I103 WeakPolarHBondContact O-CA 2.81Å; Q97-K104 PolarHBondContact O-N 2.82Å; Q97-C105 PolarHBondContact N-O 3.36Å
98	F	97.4	Very high	93.5	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	147.8	176.2	-67.4	-98	0	0	0	111	Y72 R81 N82 G83 G85 F87 I94 G96 F102 I103	Y72-F98 HydrophobicContact CE2-CD1 4.37Å; Y72-F98 AromaticContact CE2-CD2 3.88Å; Y72-F98 HydrophobicContact CE2-CD2 3.88Å; Y72-F98 HydrophobicContact CE2-CE1 4.36Å; Y72-F98 AromaticContact CE2-CE2 3.9Å; Y72-F98 HydrophobicContact CE2-CE2 3.9Å; Y72-F98 HydrophobicContact CE2-CG 4.14Å; Y72-F98 HydrophobicContact CE2-CZ 4.13Å; R81-F98 HydrophobicContact CB-CB 4.41Å; R81-F98 HydrophobicContact CB-CD1 4.45Å; N82-F98 CarbonylContact C-O 3.55Å; N82-F98 WeakPolarHBondContact CA-O 3.34Å; N82-F98 PolarHBondContact OD1-O 3.31Å; G83-F98 PolarHBondContact N-O 3.03Å; G83-F98 PolarHBondContact O-N 2.86Å; G85-F98 WeakPolarHBondContact O-CE2 3.25Å; F87-F98 HydrophobicContact CB-CE1 4.32Å; F87-F98 HydrophobicContact CB-CZ 3.94Å; I94-F98 HydrophobicContact CG2-CZ 3.97Å; G96-F98 WeakPolarHBondContact O-CD2 3.32Å; F98-F102 CarbonylContact C-O 3.49Å; F98-F102 WeakPolarHBondContact CA-O 3.49Å; F98-I103 HydrophobicContact CD1-CB 4.23Å; F98-I103 HydrophobicContact CE1-CB 4Å; F98-I103 HydrophobicContact CZ-CB 4.36Å
99	K	96.3	Very high	93.6	Very high	113 Å²	113	53.2 Å²	53.2	49%	0.491	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	123.2	170.2	-178.9	177.8	179	179.2	0	109.5	N82 D101 F102 K104	N82-K99 WeakPolarHBondContact OD1-CA 3.14Å; K99-D101 VanDerWaalsContact C-N 3.28Å; K99-D101 PolarHBondContact O-N 3.24Å; K99-F102 PolarHBondContact N-O 3.38Å; K99-F102 PolarHBondContact O-N 3.25Å; K99-K104 HydrophobicContact CB-CG 3.86Å
100	D	93.6	Very high	93.5	Very high	78 Å²	78	50.4 Å²	50.4	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	49.6	179	-55.5	-49.2	0	0	0	111.9	R81 F102	R81-D100 PolarHBondContact O-N 3.45Å; D100-F102 VanDerWaalsContact O-CD2 3.24Å; D100-F102 WeakPolarHBondContact O-CD2 3.35Å; D100-F102 PolarHBondContact O-N 3.49Å
101	D	93.2	Very high	93.3	Very high	40 Å²	40	50.9 Å²	50.9	21%	0.214	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-12	-177.4	-57.9	-55	0	0	0	117.4	R80 R81 K99	R80-D101 WeakPolarHBondContact CD-OD2 3.23Å; R80-D101 WeakPolarHBondContact CG-OD2 3.42Å; R80-D101 IonicContact CZ-OD2 3.48Å; R80-D101 IonicContact NE-OD2 2.62Å; R80-D101 IonicContact NH1-OD2 3.08Å; R80-D101 PolarHBondContact NH1-OD2 3.48Å; R81-D101 PolarHBondContact N-OD1 3.4Å; R81-D101 IonicContact NE-OD1 3.43Å; R81-D101 PolarHBondContact NE-OD1 2.85Å; R81-D101 PolarHBondContact NH2-O 2.94Å; R81-D101 IonicContact NH2-OD1 3.79Å; R81-D101 PolarHBondContact O-N 3.35Å; K99-D101 VanDerWaalsContact C-N 3.28Å; K99-D101 PolarHBondContact O-N 3.24Å
102	F	94.9	Very high	93.2	Very high	97 Å²	97	52.3 Å²	52.3	43%	0.425	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.6	180	-63.1	-79.3	0	0	0	111.4	F98 K99 D100	F98-F102 CarbonylContact C-O 3.49Å; F98-F102 WeakPolarHBondContact CA-O 3.49Å; K99-F102 PolarHBondContact N-O 3.38Å; K99-F102 PolarHBondContact O-N 3.25Å; D100-F102 VanDerWaalsContact O-CD2 3.24Å; D100-F102 WeakPolarHBondContact O-CD2 3.35Å; D100-F102 PolarHBondContact O-N 3.49Å
103	I	95.9	Very high	92.8	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	141.3	165.7	-177	162.9	0	0	0	109.6	I94 Q97 F98 F121	I94-I103 HydrophobicContact CG2-CB 4.33Å; I94-I103 HydrophobicContact CG2-CD1 3.35Å; I94-I103 HydrophobicContact CG2-CG1 4.42Å; I94-I103 HydrophobicContact CG2-CG2 4.38Å; Q97-I103 CarbonylContact O-C 3.48Å; Q97-I103 WeakPolarHBondContact O-CA 2.81Å; F98-I103 HydrophobicContact CD1-CB 4.23Å; F98-I103 HydrophobicContact CE1-CB 4Å; F98-I103 HydrophobicContact CZ-CB 4.36Å; I103-F121 HydrophobicContact CB-CD2 4.41Å; I103-F121 HydrophobicContact CB-CG 4.45Å; I103-F121 HydrophobicContact CD1-CD2 3.91Å; I103-F121 HydrophobicContact CD1-CE2 3.63Å; I103-F121 HydrophobicContact CD1-CZ 4.15Å; I103-F121 HydrophobicContact CG1-CD2 3.71Å; I103-F121 HydrophobicContact CG1-CE2 4Å; I103-F121 HydrophobicContact CG1-CG 4.24Å; I103-F121 HydrophobicContact CG2-CB 3.8Å; I103-F121 HydrophobicContact CG2-CD1 3.74Å; I103-F121 HydrophobicContact CG2-CD2 3.93Å; I103-F121 HydrophobicContact CG2-CE1 4.22Å; I103-F121 HydrophobicContact CG2-CE2 4.39Å; I103-F121 HydrophobicContact CG2-CG 3.56Å; I103-F121 VanDerWaalsContact O-CB 3.29Å; I103-F121 WeakPolarHBondContact O-CB 3.42Å
104	K	95.3	Very high	92.4	Very high	72 Å²	72	54.5 Å²	54.5	31%	0.313	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-43.7	176.4	-66.6	-59.7	-178.3	-174	0	112.2	Q97 K99 E120 F121	Q97-K104 PolarHBondContact O-N 2.82Å; K99-K104 HydrophobicContact CB-CG 3.86Å; K104-E120 CarbonylContact O-C 3.48Å; K104-E120 VanDerWaalsContact O-CA 3.3Å; K104-E120 WeakPolarHBondContact O-CA 3.47Å; K104-F121 PolarHBondContact O-N 3.23Å
105	C	95	Very high	92.1	Very high	16 Å²	16	53.7 Å²	53.7	11%	0.108	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	135.6	-179.6	178.7	0	0	0	0	109	G96 Q97 G119 E120	G96-C105 WeakPolarHBondContact CA-O 3.41Å; Q97-C105 PolarHBondContact N-O 3.36Å; C105-G119 WeakPolarHBondContact CA-O 3.44Å; C105-E120 HydrophobicContact CB-CG 4.29Å
106	G	96.2	Very high	91.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-158.6	-179.5	0	0	0	0	0	114.2	M95 G119 V492	M95-G106 CarbonylContact O-C 3.55Å; M95-G106 WeakPolarHBondContact O-CA 3.48Å; G106-G119 PolarHBondContact N-O 2.87Å; G106-G119 PolarHBondContact O-N 2.93Å; G106-V492 WeakPolarHBondContact O-CG1 3.28Å
107	I	95.6	Very high	91.8	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.6	-178.5	-61	-176.2	0	0	0	109.9	I94 M95 C109 F117 E118 V492 V496	I94-I107 CarbonylContact C-O 3.55Å; I94-I107 WeakPolarHBondContact CA-O 3.36Å; M95-I107 HydrophobicContact CE-CB 4.44Å; M95-I107 HydrophobicContact CE-CG2 4.39Å; M95-I107 PolarHBondContact N-O 3.08Å; M95-I107 PolarHBondContact O-N 3.13Å; I107-C109 HydrophobicContact CG2-CB 4.23Å; I107-F117 CarbonylContact C-O 3.47Å; I107-F117 VanDerWaalsContact CA-O 3.25Å; I107-F117 WeakPolarHBondContact CA-O 3.29Å; I107-E118 HydrophobicContact CD1-CG 4.06Å; I107-E118 HydrophobicContact CG1-CB 4.29Å; I107-E118 HydrophobicContact CG1-CG 3.94Å; I107-E118 HydrophobicContact CG2-CG 4.47Å; I107-V492 HydrophobicContact CD1-CG1 4.33Å; I107-V492 HydrophobicContact CG1-CG1 3.66Å; I107-V496 HydrophobicContact CB-CG2 4.14Å; I107-V496 HydrophobicContact CD1-CG2 3.63Å; I107-V496 HydrophobicContact CG1-CG2 3.57Å
108	K	94.9	Very high	91.7	Very high	67 Å²	67	55.2 Å²	55.2	29%	0.291	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.3	166.6	175.2	178.3	178.4	-174.6	0	108.9	W92 V93 I94 R116 F117 F121	W92-K108 HydrophobicContact CE3-CD 4.3Å; W92-K108 VanDerWaalsContact CE3-CE 3.48Å; W92-K108 HydrophobicContact CE3-CG 3.83Å; W92-K108 HydrophobicContact CZ3-CD 4.5Å; W92-K108 HydrophobicContact CZ3-CG 4.17Å; V93-K108 WeakPolarHBondContact O-CA 3.41Å; I94-K108 HydrophobicContact CD1-CD 4.39Å; I94-K108 HydrophobicContact CD1-CG 4.44Å; I94-K108 HydrophobicContact CG1-CB 4.18Å; I94-K108 HydrophobicContact CG1-CD 4.41Å; I94-K108 HydrophobicContact CG1-CG 3.93Å; K108-R116 CarbonylContact O-C 3.43Å; K108-R116 WeakPolarHBondContact O-CA 3.41Å; K108-F117 PolarHBondContact N-O 3.28Å; K108-F117 PolarHBondContact O-N 3.41Å; K108-F121 HydrophobicContact CB-CE1 4.46Å; K108-F121 HydrophobicContact CB-CZ 4.08Å
109	C	93.5	Very high	91.6	Very high	22 Å²	22	55.1 Å²	55.1	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	172.3	-179.4	62.6	0	0	0	0	111.9	W92 V93 I107 R116	W92-C109 WeakPolarHBondContact CA-O 3.42Å; V93-C109 PolarHBondContact N-O 3Å; V93-C109 PolarHBondContact O-N 3.41Å; I107-C109 HydrophobicContact CG2-CB 4.23Å; C109-R116 HydrophobicContact CB-CB 3.66Å
110	K	86.2	Confident	91.5	Very high	63 Å²	63	53.2 Å²	53.2	27%	0.274	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.2	165.2	-68.6	-169.4	169.7	-148.3	0	109.3	D91 W92 D112 S113	D91-K110 HydrophobicContact CB-CD 4.05Å; D91-K110 HydrophobicContact CB-CG 4.17Å; D91-K110 VanDerWaalsContact O-CA 3.27Å; D91-K110 WeakPolarHBondContact O-CA 3.16Å; D91-K110 IonicContact OD2-NZ 2.86Å; D91-K110 PolarHBondContact OD2-NZ 3.25Å; W92-K110 HydrophobicContact CD2-CG 4.05Å; W92-K110 HydrophobicContact CE3-CG 3.77Å; W92-K110 HydrophobicContact CH2-CD 4.46Å; W92-K110 HydrophobicContact CH2-CG 4.19Å; W92-K110 HydrophobicContact CZ2-CD 4.46Å; W92-K110 VanDerWaalsContact CZ2-CE 3.4Å; W92-K110 HydrophobicContact CZ2-CG 4.43Å; W92-K110 HydrophobicContact CZ3-CG 3.85Å; K110-D112 VanDerWaalsContact C-N 3.32Å; K110-D112 PolarHBondContact O-N 3.18Å; K110-S113 PolarHBondContact O-N 2.94Å
111	E	78.3	Confident	91.6	Very high	135 Å²	135	50 Å²	50	63%	0.631	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-43.1	-175.9	-68.4	-176.4	167.8	0	0	113	V93	V93-E111 HydrophobicContact CG2-CG 3.65Å
112	D	80.6	Confident	91.6	Very high	130 Å²	130	53.7 Å²	53.7	70%	0.695	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	20	-175.2	-68.3	-33.3	0	0	0	113.1	K110 K543	K110-D112 VanDerWaalsContact C-N 3.32Å; K110-D112 PolarHBondContact O-N 3.18Å; D112-K543 IonicContact OD1-NZ 3Å; D112-K543 IonicContact OD2-NZ 3.08Å; D112-K543 PolarHBondContact OD2-NZ 2.78Å
113	S	82	Confident	91.4	Very high	45 Å²	45	54 Å²	54	32%	0.315	27%	0.268	S	S	.	.			trans	-139.7	143	-176	139.2	0	0	0	0	113.9	K110 G115	K110-S113 PolarHBondContact O-N 2.94Å; S113-G115 PolarHBondContact O-N 3.46Å; S113-G115 WeakPolarHBondContact OG-CA 3.49Å; S113-G115 PolarHBondContact OG-N 3.14Å
114	I	85	Confident	91	Very high	106 Å²	106	55.2 Å²	55.2	54%	0.544	28%	0.283	S	S	.	.	S	Bend	trans	-63.1	-26.6	173.2	-56	167	0	0	0	111.4	R116 T132	I114-R116 PolarHBondContact O-N 3.43Å; I114-T132 HydrophobicContact CG2-CG2 4Å
115	G	89	Confident	90.9	Very high	12 Å²	12	57 Å²	57	12%	0.124	29%	0.291	C	S	.	.			trans	-60.2	116.8	179.7	0	0	0	0	0	112.5	S113 T132	S113-G115 PolarHBondContact O-N 3.46Å; S113-G115 WeakPolarHBondContact OG-CA 3.49Å; S113-G115 PolarHBondContact OG-N 3.14Å; G115-T132 CarbonylContact C-O 3.57Å; G115-T132 VanDerWaalsContact CA-O 3.23Å; G115-T132 WeakPolarHBondContact CA-O 3.24Å
116	R	93.2	Very high	90.8	Very high	97 Å²	97	57.4 Å²	57.4	37%	0.366	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	145.5	-179.6	67.8	-169.5	-159.5	-84.6	-7.9	111.4	K108 C109 I114 E118 E131 T132	K108-R116 CarbonylContact O-C 3.43Å; K108-R116 WeakPolarHBondContact O-CA 3.41Å; C109-R116 HydrophobicContact CB-CB 3.66Å; I114-R116 PolarHBondContact O-N 3.43Å; R116-E118 HydrophobicContact CG-CG 4.47Å; R116-E118 IonicContact CZ-OE1 3.79Å; R116-E118 VanDerWaalsContact CZ-OE1 3.28Å; R116-E118 IonicContact NE-OE1 2.92Å; R116-E118 PolarHBondContact NE-OE1 3.41Å; R116-E118 IonicContact NH2-OE1 3.72Å; R116-E118 PolarHBondContact NH2-OE1 2.94Å; R116-E131 CarbonylContact O-C 3.53Å; R116-E131 WeakPolarHBondContact O-CA 3.19Å; R116-T132 PolarHBondContact N-O 3Å; R116-T132 PolarHBondContact O-N 3.18Å
117	F	94.8	Very high	90.7	Very high	12 Å²	12	58.4 Å²	58.4	5%	0.053	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.8	170.8	172.9	-90.9	0	0	0	109.3	I107 K108 F121 P126 V130 E131 Y143	I107-F117 CarbonylContact C-O 3.47Å; I107-F117 VanDerWaalsContact CA-O 3.25Å; I107-F117 WeakPolarHBondContact CA-O 3.29Å; K108-F117 PolarHBondContact N-O 3.28Å; K108-F117 PolarHBondContact O-N 3.41Å; F117-F121 AromaticContact CD1-CE1 3.88Å; F117-F121 HydrophobicContact CD1-CE1 3.88Å; F117-F121 HydrophobicContact CD1-CE2 4.06Å; F117-F121 AromaticContact CD1-CZ 3.44Å; F117-F121 HydrophobicContact CD1-CZ 3.44Å; F117-F121 VanDerWaalsContact CD1-CZ 3.44Å; F117-F121 HydrophobicContact CE1-CD1 4.43Å; F117-F121 HydrophobicContact CE1-CD2 4.37Å; F117-F121 AromaticContact CE1-CE1 3.88Å; F117-F121 HydrophobicContact CE1-CE1 3.88Å; F117-F121 AromaticContact CE1-CE2 3.81Å; F117-F121 HydrophobicContact CE1-CE2 3.81Å; F117-F121 AromaticContact CE1-CZ 3.56Å; F117-F121 HydrophobicContact CE1-CZ 3.56Å; F117-P126 HydrophobicContact CD1-CG 4.42Å; F117-P126 HydrophobicContact CD2-CB 4.38Å; F117-P126 HydrophobicContact CE1-CB 4.06Å; F117-P126 HydrophobicContact CE1-CG 4.28Å; F117-P126 HydrophobicContact CE2-CB 3.81Å; F117-P126 HydrophobicContact CE2-CG 4.38Å; F117-P126 HydrophobicContact CZ-CB 3.62Å; F117-P126 HydrophobicContact CZ-CG 4.27Å; F117-V130 WeakPolarHBondContact CA-O 3.29Å; F117-E131 HydrophobicContact CD2-CB 4.14Å; F117-Y143 HydrophobicContact CD2-CE2 4.39Å; F117-Y143 HydrophobicContact CE2-CD2 4.16Å; F117-Y143 AromaticContact CE2-CE2 3.6Å; F117-Y143 HydrophobicContact CE2-CE2 3.6Å; F117-Y143 AromaticContact CE2-CZ 3.82Å; F117-Y143 HydrophobicContact CZ-CE2 4.5Å
118	E	94.6	Very high	90.6	Very high	25 Å²	25	60.3 Å²	60.3	12%	0.117	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.2	-180	-52.2	179.4	171.2	0	0	108.5	I107 R116 G129 V130 L489 V492	I107-E118 HydrophobicContact CD1-CG 4.06Å; I107-E118 HydrophobicContact CG1-CB 4.29Å; I107-E118 HydrophobicContact CG1-CG 3.94Å; I107-E118 HydrophobicContact CG2-CG 4.47Å; R116-E118 HydrophobicContact CG-CG 4.47Å; R116-E118 IonicContact CZ-OE1 3.79Å; R116-E118 VanDerWaalsContact CZ-OE1 3.28Å; R116-E118 IonicContact NE-OE1 2.92Å; R116-E118 PolarHBondContact NE-OE1 3.41Å; R116-E118 IonicContact NH2-OE1 3.72Å; R116-E118 PolarHBondContact NH2-OE1 2.94Å; E118-G129 CarbonylContact O-C 3.41Å; E118-G129 VanDerWaalsContact O-CA 3.26Å; E118-G129 WeakPolarHBondContact O-CA 3.21Å; E118-V130 PolarHBondContact N-O 3.48Å; E118-V130 PolarHBondContact O-N 2.7Å; E118-L489 HydrophobicContact CB-CD2 3.47Å; E118-L489 VanDerWaalsContact CB-CD2 3.47Å; E118-L489 HydrophobicContact CG-CD2 4.42Å; E118-L489 WeakPolarHBondContact OE2-CD2 3.49Å; E118-V492 HydrophobicContact CB-CG1 4.29Å
119	G	95.3	Very high	90.6	Very high	5 Å²	5	57.3 Å²	57.3	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-156	-179.2	0	0	0	0	0	115	C105 G106 F128	C105-G119 WeakPolarHBondContact CA-O 3.44Å; G106-G119 PolarHBondContact N-O 2.87Å; G106-G119 PolarHBondContact O-N 2.93Å; G119-F128 WeakPolarHBondContact CA-O 3.31Å
120	E	94.3	Very high	90.7	Very high	73 Å²	73	57 Å²	57	34%	0.341	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150.4	179.9	-67.9	-166	-155.1	0	0	112.4	K104 C105 S127 F128	K104-E120 CarbonylContact O-C 3.48Å; K104-E120 VanDerWaalsContact O-CA 3.3Å; K104-E120 WeakPolarHBondContact O-CA 3.47Å; C105-E120 HydrophobicContact CB-CG 4.29Å; E120-S127 PolarHBondContact O-N 3.41Å; E120-F128 HydrophobicContact CB-CD1 4.33Å; E120-F128 HydrophobicContact CB-CD2 3.94Å; E120-F128 HydrophobicContact CB-CE1 3.93Å; E120-F128 HydrophobicContact CB-CE2 3.51Å; E120-F128 HydrophobicContact CB-CG 4.36Å; E120-F128 HydrophobicContact CB-CZ 3.55Å; E120-F128 HydrophobicContact CG-CD2 4.17Å; E120-F128 HydrophobicContact CG-CE1 4.47Å; E120-F128 HydrophobicContact CG-CE2 3.39Å; E120-F128 HydrophobicContact CG-CZ 3.61Å; E120-F128 PolarHBondContact N-O 2.77Å; E120-F128 WeakPolarHBondContact OE1-CE2 3.44Å; E120-F128 WeakPolarHBondContact OE1-CZ 3.25Å; E120-F128 WeakPolarHBondContact OE2-CZ 3.41Å
121	F	94.9	Very high	91	Very high	10 Å²	10	55.9 Å²	55.9	4%	0.044	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.5	-175.2	-63.3	-100.8	0	0	0	110.3	I103 K104 K108 F117 F125 P126	I103-F121 HydrophobicContact CB-CD2 4.41Å; I103-F121 HydrophobicContact CB-CG 4.45Å; I103-F121 HydrophobicContact CD1-CD2 3.91Å; I103-F121 HydrophobicContact CD1-CE2 3.63Å; I103-F121 HydrophobicContact CD1-CZ 4.15Å; I103-F121 HydrophobicContact CG1-CD2 3.71Å; I103-F121 HydrophobicContact CG1-CE2 4Å; I103-F121 HydrophobicContact CG1-CG 4.24Å; I103-F121 HydrophobicContact CG2-CB 3.8Å; I103-F121 HydrophobicContact CG2-CD1 3.74Å; I103-F121 HydrophobicContact CG2-CD2 3.93Å; I103-F121 HydrophobicContact CG2-CE1 4.22Å; I103-F121 HydrophobicContact CG2-CE2 4.39Å; I103-F121 HydrophobicContact CG2-CG 3.56Å; I103-F121 VanDerWaalsContact O-CB 3.29Å; I103-F121 WeakPolarHBondContact O-CB 3.42Å; K104-F121 PolarHBondContact O-N 3.23Å; K108-F121 HydrophobicContact CB-CE1 4.46Å; K108-F121 HydrophobicContact CB-CZ 4.08Å; F117-F121 AromaticContact CD1-CE1 3.88Å; F117-F121 HydrophobicContact CD1-CE1 3.88Å; F117-F121 HydrophobicContact CD1-CE2 4.06Å; F117-F121 AromaticContact CD1-CZ 3.44Å; F117-F121 HydrophobicContact CD1-CZ 3.44Å; F117-F121 VanDerWaalsContact CD1-CZ 3.44Å; F117-F121 HydrophobicContact CE1-CD1 4.43Å; F117-F121 HydrophobicContact CE1-CD2 4.37Å; F117-F121 AromaticContact CE1-CE1 3.88Å; F117-F121 HydrophobicContact CE1-CE1 3.88Å; F117-F121 AromaticContact CE1-CE2 3.81Å; F117-F121 HydrophobicContact CE1-CE2 3.81Å; F117-F121 AromaticContact CE1-CZ 3.56Å; F117-F121 HydrophobicContact CE1-CZ 3.56Å; F121-F125 CarbonylContact C-O 3.57Å; F121-F125 WeakPolarHBondContact CA-O 3.41Å; F121-P126 HydrophobicContact CE1-CG 4.39Å
122	E	93.2	Very high	91.7	Very high	117 Å²	117	50.2 Å²	50.2	55%	0.547	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125	175.1	-170.6	177.5	-179	0	0	109.2	G124 F125	E122-G124 PolarHBondContact O-N 3.23Å; E122-G124 VanDerWaalsContact O-N 3.08Å; E122-F125 PolarHBondContact N-O 3.35Å; E122-F125 PolarHBondContact O-N 3.38Å
123	N	90.5	Very high	92	Very high	104 Å²	104	44.3 Å²	44.3	56%	0.556	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	31.4	-176.6	-56.2	-37.1	0	0	0	113.8	F125	N123-F125 VanDerWaalsContact C-N 3.31Å; N123-F125 WeakPolarHBondContact O-CD2 3.39Å
124	G	88.5	Confident	91.9	Very high	35 Å²	35	45.2 Å²	45.2	36%	0.361	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-0.4	-178.5	0	0	0	0	0	115.2	E122	E122-G124 PolarHBondContact O-N 3.23Å; E122-G124 VanDerWaalsContact O-N 3.08Å
125	F	92.8	Very high	91.6	Very high	109 Å²	109	41 Å²	41	48%	0.478	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	148.8	175.1	-62	-79.3	0	0	0	110.8	F121 E122 N123 S127	F121-F125 CarbonylContact C-O 3.57Å; F121-F125 WeakPolarHBondContact CA-O 3.41Å; E122-F125 PolarHBondContact N-O 3.35Å; E122-F125 PolarHBondContact O-N 3.38Å; N123-F125 VanDerWaalsContact C-N 3.31Å; N123-F125 WeakPolarHBondContact O-CD2 3.39Å; F125-S127 PolarHBondContact O-N 3.2Å
126	P	94.2	Very high	91.4	Very high	26 Å²	26	42.1 Å²	42.1	17%	0.169	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.7	132.1	165.9	-29.7	37.3	0	0	0	111.2	F117 F121 Y143	F117-P126 HydrophobicContact CD1-CG 4.42Å; F117-P126 HydrophobicContact CD2-CB 4.38Å; F117-P126 HydrophobicContact CE1-CB 4.06Å; F117-P126 HydrophobicContact CE1-CG 4.28Å; F117-P126 HydrophobicContact CE2-CB 3.81Å; F117-P126 HydrophobicContact CE2-CG 4.38Å; F117-P126 HydrophobicContact CZ-CB 3.62Å; F117-P126 HydrophobicContact CZ-CG 4.27Å; F121-P126 HydrophobicContact CE1-CG 4.39Å; P126-Y143 HydrophobicContact CB-CD1 4Å; P126-Y143 HydrophobicContact CB-CD2 4.22Å; P126-Y143 HydrophobicContact CB-CG 3.82Å; P126-Y143 WeakPolarHBondContact O-CB 3.21Å
127	S	94.2	Very high	91.1	Very high	21 Å²	21	37.6 Å²	37.6	15%	0.147	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-48.6	173.5	-176.2	0	0	0	0	110.3	E120 F125 Y143	E120-S127 PolarHBondContact O-N 3.41Å; F125-S127 PolarHBondContact O-N 3.2Å; S127-Y143 WeakPolarHBondContact O-CA 3.33Å; S127-Y143 PolarHBondContact O-N 3.39Å
128	F	93.5	Very high	91	Very high	53 Å²	53	39 Å²	39	23%	0.232	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	147.9	172.1	49.4	-91.4	0	0	0	111.1	G119 E120 G141 F485	G119-F128 WeakPolarHBondContact CA-O 3.31Å; E120-F128 HydrophobicContact CB-CD1 4.33Å; E120-F128 HydrophobicContact CB-CD2 3.94Å; E120-F128 HydrophobicContact CB-CE1 3.93Å; E120-F128 HydrophobicContact CB-CE2 3.51Å; E120-F128 HydrophobicContact CB-CG 4.36Å; E120-F128 HydrophobicContact CB-CZ 3.55Å; E120-F128 HydrophobicContact CG-CD2 4.17Å; E120-F128 HydrophobicContact CG-CE1 4.47Å; E120-F128 HydrophobicContact CG-CE2 3.39Å; E120-F128 HydrophobicContact CG-CZ 3.61Å; E120-F128 PolarHBondContact N-O 2.77Å; E120-F128 WeakPolarHBondContact OE1-CE2 3.44Å; E120-F128 WeakPolarHBondContact OE1-CZ 3.25Å; E120-F128 WeakPolarHBondContact OE2-CZ 3.41Å; F128-G141 WeakPolarHBondContact CA-O 3.19Å; F128-F485 HydrophobicContact CB-CD1 4.24Å; F128-F485 HydrophobicContact CB-CE1 3.52Å; F128-F485 HydrophobicContact CB-CE2 4.07Å; F128-F485 HydrophobicContact CB-CZ 3.43Å; F128-F485 VanDerWaalsContact CB-CZ 3.43Å; F128-F485 AromaticContact CD2-CD1 3.74Å; F128-F485 HydrophobicContact CD2-CD1 3.74Å; F128-F485 AromaticContact CD2-CE1 3.4Å; F128-F485 HydrophobicContact CD2-CE1 3.4Å; F128-F485 VanDerWaalsContact CD2-CE1 3.4Å; F128-F485 HydrophobicContact CD2-CZ 4.23Å; F128-F485 HydrophobicContact CE2-CE1 4.22Å; F128-F485 HydrophobicContact CG-CD1 4.36Å; F128-F485 AromaticContact CG-CE1 3.66Å; F128-F485 HydrophobicContact CG-CE1 3.66Å; F128-F485 HydrophobicContact CG-CZ 4.04Å
129	G	94.7	Very high	91	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-164.7	-179.9	0	0	0	0	0	113.8	E118 A140 G141	E118-G129 CarbonylContact O-C 3.41Å; E118-G129 VanDerWaalsContact O-CA 3.26Å; E118-G129 WeakPolarHBondContact O-CA 3.21Å; G129-A140 WeakPolarHBondContact O-CA 3.36Å; G129-G141 PolarHBondContact N-O 2.84Å; G129-G141 VanDerWaalsContact N-O 3.15Å; G129-G141 PolarHBondContact O-N 3.45Å
130	V	94.4	Very high	91	Very high	15 Å²	15	38 Å²	38	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118	179.1	-174.8	0	0	0	0	109.1	F117 E118 Y139 A140 L489	F117-V130 WeakPolarHBondContact CA-O 3.29Å; E118-V130 PolarHBondContact N-O 3.48Å; E118-V130 PolarHBondContact O-N 2.7Å; V130-Y139 CarbonylContact C-O 3.55Å; V130-Y139 VanDerWaalsContact CA-O 3.29Å; V130-Y139 WeakPolarHBondContact CA-O 3.35Å; V130-A140 HydrophobicContact CG2-CB 3.96Å; V130-L489 HydrophobicContact CG2-CD1 4.16Å; V130-L489 HydrophobicContact CG2-CD2 4.32Å; V130-L489 HydrophobicContact CG2-CG 4.42Å
131	E	93	Very high	91	Very high	41 Å²	41	34.6 Å²	34.6	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.8	169	-172.2	-179.4	175.4	0	0	109	R116 F117 Y133 S138 Y139 Y143 K281	R116-E131 CarbonylContact O-C 3.53Å; R116-E131 WeakPolarHBondContact O-CA 3.19Å; F117-E131 HydrophobicContact CD2-CB 4.14Å; E131-Y133 HydrophobicContact CB-CE1 4.4Å; E131-Y133 HydrophobicContact CG-CD1 3.98Å; E131-Y133 HydrophobicContact CG-CE1 3.77Å; E131-Y133 WeakPolarHBondContact OE1-CD1 3.45Å; E131-Y133 VanDerWaalsContact OE1-CE1 3.26Å; E131-Y133 WeakPolarHBondContact OE1-CE1 3.31Å; E131-Y133 WeakPolarHBondContact OE2-CE1 3.36Å; E131-S138 CarbonylContact O-C 3.57Å; E131-S138 VanDerWaalsContact O-CA 3.27Å; E131-S138 WeakPolarHBondContact O-CA 3.1Å; E131-Y139 PolarHBondContact N-O 2.87Å; E131-Y139 PolarHBondContact O-N 3.47Å; E131-Y143 WeakPolarHBondContact CB-OH 3.38Å; E131-Y143 PolarHBondContact OE2-OH 3.26Å; E131-K281 IonicContact OE1-NZ 3.95Å; E131-K281 PolarHBondContact OE1-NZ 2.97Å; E131-K281 IonicContact OE2-NZ 3.71Å
132	T	92.2	Very high	91	Very high	16 Å²	16	37.6 Å²	37.6	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129	161.6	-52.4	0	0	0	0	107.4	I114 G115 R116 G137	I114-T132 HydrophobicContact CG2-CG2 4Å; G115-T132 CarbonylContact C-O 3.57Å; G115-T132 VanDerWaalsContact CA-O 3.23Å; G115-T132 WeakPolarHBondContact CA-O 3.24Å; R116-T132 PolarHBondContact N-O 3Å; R116-T132 PolarHBondContact O-N 3.18Å; T132-G137 CarbonylContact C-O 3.5Å; T132-G137 WeakPolarHBondContact CA-O 3.33Å
133	Y	88	Confident	91.1	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.02	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-86.6	163.5	179.9	-57.9	-67.2	0	0	0	110.8	E131 D135 G136 G137 Y139 R148 R154 K281	E131-Y133 HydrophobicContact CB-CE1 4.4Å; E131-Y133 HydrophobicContact CG-CD1 3.98Å; E131-Y133 HydrophobicContact CG-CE1 3.77Å; E131-Y133 WeakPolarHBondContact OE1-CD1 3.45Å; E131-Y133 VanDerWaalsContact OE1-CE1 3.26Å; E131-Y133 WeakPolarHBondContact OE1-CE1 3.31Å; E131-Y133 WeakPolarHBondContact OE2-CE1 3.36Å; Y133-D135 VanDerWaalsContact CB-OD1 3.23Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.36Å; Y133-D135 PolarHBondContact O-N 3.05Å; Y133-G136 PolarHBondContact O-N 3.4Å; Y133-G137 WeakPolarHBondContact CD2-O 3.44Å; Y133-G137 PolarHBondContact N-O 3.28Å; Y133-Y139 WeakPolarHBondContact OH-CB 3.32Å; Y133-R148 PolarHBondContact OH-NH1 3.19Å; Y133-R154 VanDerWaalsContact CD2-NH1 3.32Å; Y133-R154 VanDerWaalsContact CE2-NH1 3.26Å; Y133-K281 HydrophobicContact CD1-CD 3.35Å; Y133-K281 HydrophobicContact CD1-CG 4.04Å; Y133-K281 VanDerWaalsContact CD1-NZ 3.3Å; Y133-K281 HydrophobicContact CE1-CD 3.49Å; Y133-K281 VanDerWaalsContact CE1-CD 3.49Å; Y133-K281 HydrophobicContact CE1-CG 4.01Å; Y133-K281 HydrophobicContact CG-CD 4.15Å; Y133-K281 HydrophobicContact CG-CG 4.49Å
134	A	80.2	Confident	91.3	Very high	65 Å²	65	34 Å²	34	54%	0.537	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.5	175	0	0	0	0	0	112.8	G136	A134-G136 VanDerWaalsContact C-N 3.27Å
135	D	78	Confident	91.5	Very high	17 Å²	17	38.5 Å²	38.5	9%	0.091	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.2	173.4	63	24.4	0	0	0	113.4	Y133 G137 R154 I157 F165 C282	Y133-D135 VanDerWaalsContact CB-OD1 3.23Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.36Å; Y133-D135 PolarHBondContact O-N 3.05Å; D135-G137 WeakPolarHBondContact OD1-CA 3.49Å; D135-G137 PolarHBondContact OD1-N 3.27Å; D135-R154 IonicContact OD1-NH2 3.27Å; D135-R154 IonicContact OD2-NH2 3.61Å; D135-I157 HydrophobicContact CB-CD1 4.38Å; D135-I157 WeakPolarHBondContact O-CG2 3.49Å; D135-F165 HydrophobicContact CB-CE1 4.23Å; D135-F165 HydrophobicContact CB-CE2 4.24Å; D135-F165 HydrophobicContact CB-CZ 4.05Å; D135-F165 WeakPolarHBondContact O-CZ 3.47Å; D135-C282 HydrophobicContact CB-CB 4.43Å; D135-C282 WeakPolarHBondContact OD2-CB 3.48Å
136	G	84.1	Confident	91.3	Very high	36 Å²	36	34.8 Å²	34.8	37%	0.371	21%	0.208	S	C	.	.	S	Bend	trans	95.3	-12.3	-176.3	0	0	0	0	0	114.5	Y133 A134 I157	Y133-G136 PolarHBondContact O-N 3.4Å; A134-G136 VanDerWaalsContact C-N 3.27Å; G136-I157 VanDerWaalsContact C-CG2 3.42Å
137	G	88.6	Confident	91.2	Very high	2 Å²	2	36 Å²	36	2%	0.021	21%	0.214	C	C	.	.			trans	-67.8	162.3	174.3	0	0	0	0	0	111.1	T132 Y133 D135 T155	T132-G137 CarbonylContact C-O 3.5Å; T132-G137 WeakPolarHBondContact CA-O 3.33Å; Y133-G137 WeakPolarHBondContact CD2-O 3.44Å; Y133-G137 PolarHBondContact N-O 3.28Å; D135-G137 WeakPolarHBondContact OD1-CA 3.49Å; D135-G137 PolarHBondContact OD1-N 3.27Å; G137-T155 WeakPolarHBondContact CA-O 3.43Å
138	S	92.4	Very high	91.1	Very high	42 Å²	42	35.9 Å²	35.9	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.7	177.1	62.1	0	0	0	0	114.1	E131 R154 T155	E131-S138 CarbonylContact O-C 3.57Å; E131-S138 VanDerWaalsContact O-CA 3.27Å; E131-S138 WeakPolarHBondContact O-CA 3.1Å; S138-R154 WeakPolarHBondContact O-CA 3.22Å; S138-R154 WeakPolarHBondContact O-CD 3.47Å; S138-R154 PolarHBondContact O-NH1 2.92Å; S138-T155 PolarHBondContact N-O 2.96Å; S138-T155 PolarHBondContact O-N 3.48Å
139	Y	94	Very high	91.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.5	166.2	170.1	-94.7	0	0	0	109.6	V130 E131 Y133 E142 Y143 R148 V153 R154 W389	V130-Y139 CarbonylContact C-O 3.55Å; V130-Y139 VanDerWaalsContact CA-O 3.29Å; V130-Y139 WeakPolarHBondContact CA-O 3.35Å; E131-Y139 PolarHBondContact N-O 2.87Å; E131-Y139 PolarHBondContact O-N 3.47Å; Y133-Y139 WeakPolarHBondContact OH-CB 3.32Å; Y139-E142 PolarHBondContact OH-O 2.85Å; Y139-Y143 HydrophobicContact CD1-CE2 4.11Å; Y139-Y143 AromaticContact CD1-CZ 3.71Å; Y139-Y143 WeakPolarHBondContact CD1-OH 3.48Å; Y139-Y143 HydrophobicContact CE1-CE1 4.32Å; Y139-Y143 AromaticContact CE1-CE2 3.74Å; Y139-Y143 HydrophobicContact CE1-CE2 3.74Å; Y139-Y143 AromaticContact CE1-CZ 3.65Å; Y139-R148 HydrophobicContact CD1-CG 3.97Å; Y139-R148 HydrophobicContact CE1-CB 4.23Å; Y139-R148 HydrophobicContact CE1-CG 3.57Å; Y139-R148 HydrophobicContact CE2-CG 4.45Å; Y139-V153 CarbonylContact C-O 3.58Å; Y139-V153 VanDerWaalsContact CA-O 3.27Å; Y139-V153 WeakPolarHBondContact CA-O 3.48Å; Y139-R154 HydrophobicContact CD2-CB 4.12Å; Y139-W389 HydrophobicContact CD2-CH2 4.47Å; Y139-W389 AromaticContact CD2-CZ2 3.98Å; Y139-W389 HydrophobicContact CD2-CZ2 3.98Å; Y139-W389 AromaticContact CE2-CD1 3.89Å; Y139-W389 AromaticContact CE2-CD2 3.89Å; Y139-W389 HydrophobicContact CE2-CD2 3.89Å; Y139-W389 AromaticContact CE2-CE2 3.5Å; Y139-W389 HydrophobicContact CE2-CG 4.15Å; Y139-W389 AromaticContact CE2-CZ2 3.89Å; Y139-W389 HydrophobicContact CE2-CZ2 3.89Å; Y139-W389 AromaticContact CE2-NE1 3.51Å
140	A	94.8	Very high	91.3	Very high	9 Å²	9	37.2 Å²	37.2	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119	172.8	0	0	0	0	0	108.7	G129 V130 G152 V153	G129-A140 WeakPolarHBondContact O-CA 3.36Å; V130-A140 HydrophobicContact CG2-CB 3.96Å; A140-G152 CarbonylContact O-C 3.55Å; A140-G152 VanDerWaalsContact O-CA 3.25Å; A140-G152 WeakPolarHBondContact O-CA 3.42Å; A140-V153 PolarHBondContact N-O 3.4Å; A140-V153 PolarHBondContact O-N 2.88Å
141	G	95.2	Very high	91.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-165.8	-176.1	0	0	0	0	0	115	F128 G129 Y143 L151	F128-G141 WeakPolarHBondContact CA-O 3.19Å; G129-G141 PolarHBondContact N-O 2.84Å; G129-G141 VanDerWaalsContact N-O 3.15Å; G129-G141 PolarHBondContact O-N 3.45Å; G141-Y143 WeakPolarHBondContact O-CD2 3.19Å; G141-Y143 WeakPolarHBondContact O-CE2 3.31Å; G141-L151 WeakPolarHBondContact CA-O 3.39Å
142	E	95.5	Very high	91.6	Very high	72 Å²	72	36.3 Å²	36.3	34%	0.336	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	150.2	-177.6	-68.4	173.4	161.5	0	0	112.5	Y139 E149 G150 L151 L481	Y139-E142 PolarHBondContact OH-O 2.85Å; E142-E149 CarbonylContact C-O 3.52Å; E142-E149 VanDerWaalsContact C-O 3.26Å; E142-E149 WeakPolarHBondContact CB-O 3.2Å; E142-E149 PolarHBondContact O-N 3.2Å; E142-G150 WeakPolarHBondContact OE2-CA 3.32Å; E142-L151 PolarHBondContact N-O 3.36Å; E142-L151 PolarHBondContact OE2-N 2.9Å; E142-L481 HydrophobicContact CG-CD2 3.8Å
143	Y	95.2	Very high	91.7	Very high	19 Å²	19	36.3 Å²	36.3	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.5	178.3	-64.3	-101.5	0	0	0	109.6	F117 P126 S127 E131 Y139 G141 V147 R148	F117-Y143 HydrophobicContact CD2-CE2 4.39Å; F117-Y143 HydrophobicContact CE2-CD2 4.16Å; F117-Y143 AromaticContact CE2-CE2 3.6Å; F117-Y143 HydrophobicContact CE2-CE2 3.6Å; F117-Y143 AromaticContact CE2-CZ 3.82Å; F117-Y143 HydrophobicContact CZ-CE2 4.5Å; P126-Y143 HydrophobicContact CB-CD1 4Å; P126-Y143 HydrophobicContact CB-CD2 4.22Å; P126-Y143 HydrophobicContact CB-CG 3.82Å; P126-Y143 WeakPolarHBondContact O-CB 3.21Å; S127-Y143 WeakPolarHBondContact O-CA 3.33Å; S127-Y143 PolarHBondContact O-N 3.39Å; E131-Y143 WeakPolarHBondContact CB-OH 3.38Å; E131-Y143 PolarHBondContact OE2-OH 3.26Å; Y139-Y143 HydrophobicContact CD1-CE2 4.11Å; Y139-Y143 AromaticContact CD1-CZ 3.71Å; Y139-Y143 WeakPolarHBondContact CD1-OH 3.48Å; Y139-Y143 HydrophobicContact CE1-CE1 4.32Å; Y139-Y143 AromaticContact CE1-CE2 3.74Å; Y139-Y143 HydrophobicContact CE1-CE2 3.74Å; Y139-Y143 AromaticContact CE1-CZ 3.65Å; G141-Y143 WeakPolarHBondContact O-CD2 3.19Å; G141-Y143 WeakPolarHBondContact O-CE2 3.31Å; Y143-V147 CarbonylContact C-O 3.34Å; Y143-V147 VanDerWaalsContact CA-O 3.3Å; Y143-V147 WeakPolarHBondContact CA-O 3.08Å; Y143-R148 HydrophobicContact CD1-CG 3.98Å; Y143-R148 HydrophobicContact CE1-CG 3.57Å
144	K	94.1	Very high	92	Very high	128 Å²	128	37 Å²	37	56%	0.557	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.5	173.3	-171.4	176.1	-178.7	179.2	0	108.8	G146 V147 E149	K144-G146 PolarHBondContact O-N 2.9Å; K144-V147 PolarHBondContact N-O 2.98Å; K144-V147 PolarHBondContact O-N 3.37Å; K144-V147 VanDerWaalsContact O-N 3.07Å; K144-E149 HydrophobicContact CB-CB 3.69Å; K144-E149 HydrophobicContact CB-CG 3.93Å; K144-E149 HydrophobicContact CD-CG 4.08Å
145	N	91.8	Very high	92.6	Very high	128 Å²	128	35.9 Å²	35.9	68%	0.684	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	35.8	-176.1	-56.4	-38.6	0	0	0	113	V147	N145-V147 VanDerWaalsContact C-N 3.32Å; N145-V147 PolarHBondContact O-N 2.97Å
146	G	88.8	Confident	93.1	Very high	32 Å²	32	35.7 Å²	35.7	33%	0.33	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	9.4	179.8	0	0	0	0	0	115.6	K144	K144-G146 PolarHBondContact O-N 2.9Å
147	V	91.7	Very high	93.3	Very high	50 Å²	50	34.3 Å²	34.3	30%	0.303	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.9	177.9	178.3	0	0	0	0	108.8	Y143 K144 N145 E149 D392	Y143-V147 CarbonylContact C-O 3.34Å; Y143-V147 VanDerWaalsContact CA-O 3.3Å; Y143-V147 WeakPolarHBondContact CA-O 3.08Å; K144-V147 PolarHBondContact N-O 2.98Å; K144-V147 PolarHBondContact O-N 3.37Å; K144-V147 VanDerWaalsContact O-N 3.07Å; N145-V147 VanDerWaalsContact C-N 3.32Å; N145-V147 PolarHBondContact O-N 2.97Å; V147-E149 PolarHBondContact O-N 2.83Å; V147-D392 HydrophobicContact CG1-CB 4.08Å
148	R	93.6	Very high	93.2	Very high	20 Å²	20	36 Å²	36	8%	0.075	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.9	178.3	-63.7	167.4	-68.3	179.3	7.2	109.9	Y133 Y139 Y143 W389 A391 D392	Y133-R148 PolarHBondContact OH-NH1 3.19Å; Y139-R148 HydrophobicContact CD1-CG 3.97Å; Y139-R148 HydrophobicContact CE1-CB 4.23Å; Y139-R148 HydrophobicContact CE1-CG 3.57Å; Y139-R148 HydrophobicContact CE2-CG 4.45Å; Y143-R148 HydrophobicContact CD1-CG 3.98Å; Y143-R148 HydrophobicContact CE1-CG 3.57Å; R148-W389 HydrophobicContact CB-CB 4.47Å; R148-W389 HydrophobicContact CB-CE3 4.25Å; R148-A391 PolarHBondContact O-N 2.89Å; R148-D392 WeakPolarHBondContact CB-OD1 3.22Å; R148-D392 WeakPolarHBondContact CG-OD1 3.44Å; R148-D392 IonicContact CZ-OD1 3.96Å; R148-D392 PolarHBondContact N-OD1 3.45Å; R148-D392 IonicContact NE-OD1 3.74Å; R148-D392 PolarHBondContact NE-OD1 2.93Å; R148-D392 PolarHBondContact NH2-O 3.44Å; R148-D392 IonicContact NH2-OD1 3.38Å; R148-D392 PolarHBondContact NH2-OD1 3.37Å; R148-D392 PolarHBondContact O-N 3.38Å; R148-D392 VanDerWaalsContact O-N 3.08Å
149	E	94.8	Very high	92.7	Very high	58 Å²	58	35.3 Å²	35.3	27%	0.271	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	144.4	-171.5	-171.4	83.2	174.8	0	0	107.9	E142 K144 V147 W389 E390 A391	E142-E149 CarbonylContact C-O 3.52Å; E142-E149 VanDerWaalsContact C-O 3.26Å; E142-E149 WeakPolarHBondContact CB-O 3.2Å; E142-E149 PolarHBondContact O-N 3.2Å; K144-E149 HydrophobicContact CB-CB 3.69Å; K144-E149 HydrophobicContact CB-CG 3.93Å; K144-E149 HydrophobicContact CD-CG 4.08Å; V147-E149 PolarHBondContact O-N 2.83Å; E149-W389 CarbonylContact C-O 3.56Å; E149-W389 WeakPolarHBondContact CA-O 3.47Å; E149-E390 WeakPolarHBondContact OE2-CA 3.45Å; E149-A391 PolarHBondContact OE2-N 3.1Å
150	G	96.3	Very high	91.8	Very high	26 Å²	26	36.3 Å²	36.3	27%	0.268	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	86.2	-138.9	177.4	0	0	0	0	0	112.6	E142 Q388 W389	E142-G150 WeakPolarHBondContact OE2-CA 3.32Å; G150-Q388 CarbonylContact O-C 3.43Å; G150-Q388 WeakPolarHBondContact O-CA 3.34Å; G150-W389 PolarHBondContact N-O 2.91Å; G150-W389 PolarHBondContact O-N 3.44Å
151	L	97.5	Very high	91.2	Very high	37 Å²	37	40.4 Å²	40.4	19%	0.194	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139.1	-177.1	-63.9	-179.2	0	0	0	112.1	G141 E142 Q388 I474 D477 A478 L481	G141-L151 WeakPolarHBondContact CA-O 3.39Å; E142-L151 PolarHBondContact N-O 3.36Å; E142-L151 PolarHBondContact OE2-N 2.9Å; L151-Q388 HydrophobicContact CD2-CG 3.82Å; L151-I474 HydrophobicContact CD2-CG2 3.81Å; L151-D477 HydrophobicContact CD1-CB 3.93Å; L151-A478 HydrophobicContact CB-CB 4.33Å; L151-L481 HydrophobicContact CB-CD2 3.91Å
152	G	96.5	Very high	90.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	162.1	172.7	0	0	0	0	0	115	A140 G387 W389	A140-G152 CarbonylContact O-C 3.55Å; A140-G152 VanDerWaalsContact O-CA 3.25Å; A140-G152 WeakPolarHBondContact O-CA 3.42Å; G152-G387 PolarHBondContact N-O 2.9Å; G152-G387 PolarHBondContact O-N 3.44Å; G152-G387 VanDerWaalsContact O-N 3.11Å; G152-W389 PolarHBondContact O-NE1 3.26Å; G152-W389 VanDerWaalsContact O-NE1 3.1Å
153	V	95.8	Very high	88.7	Confident	15 Å²	15	40.8 Å²	40.8	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.1	179.4	-175.7	0	0	0	0	109.2	Y139 A140 T384 F385 A386 A478 F479	Y139-V153 CarbonylContact C-O 3.58Å; Y139-V153 VanDerWaalsContact CA-O 3.27Å; Y139-V153 WeakPolarHBondContact CA-O 3.48Å; A140-V153 PolarHBondContact N-O 3.4Å; A140-V153 PolarHBondContact O-N 2.88Å; V153-T384 HydrophobicContact CG1-CG2 3.73Å; V153-F385 CarbonylContact C-O 3.48Å; V153-F385 VanDerWaalsContact CA-O 3.23Å; V153-F385 WeakPolarHBondContact CA-O 3.42Å; V153-A386 HydrophobicContact CG1-CB 4.5Å; V153-A386 HydrophobicContact CG2-CB 3.98Å; V153-A478 HydrophobicContact CG2-CB 4.12Å; V153-A478 WeakPolarHBondContact CG2-O 3.4Å; V153-F479 HydrophobicContact CG1-CD1 4.33Å; V153-F479 HydrophobicContact CG1-CE1 3.86Å; V153-F479 HydrophobicContact CG1-CZ 4.44Å; V153-F479 HydrophobicContact CG2-CD1 3.93Å; V153-F479 HydrophobicContact CG2-CE1 4.22Å; V153-F479 HydrophobicContact CG2-CG 4.3Å
154	R	93.6	Very high	87.5	Confident	21 Å²	21	45.9 Å²	45.9	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.4	173.3	174.7	80.8	-178.3	98.6	-3.5	108.9	Y133 D135 S138 Y139 K281 T384 F385 W389	Y133-R154 VanDerWaalsContact CD2-NH1 3.32Å; Y133-R154 VanDerWaalsContact CE2-NH1 3.26Å; D135-R154 IonicContact OD1-NH2 3.27Å; D135-R154 IonicContact OD2-NH2 3.61Å; S138-R154 WeakPolarHBondContact O-CA 3.22Å; S138-R154 WeakPolarHBondContact O-CD 3.47Å; S138-R154 PolarHBondContact O-NH1 2.92Å; Y139-R154 HydrophobicContact CD2-CB 4.12Å; R154-K281 PolarHBondContact NH2-O 3.45Å; R154-T384 CarbonylContact O-C 3.59Å; R154-T384 VanDerWaalsContact O-CA 3.24Å; R154-T384 WeakPolarHBondContact O-CA 3.31Å; R154-F385 PolarHBondContact N-O 2.87Å; R154-F385 PolarHBondContact O-N 3.38Å; R154-W389 HydrophobicContact CB-CH2 3.86Å; R154-W389 HydrophobicContact CB-CZ2 3.54Å; R154-W389 HydrophobicContact CG-CH2 4.23Å; R154-W389 HydrophobicContact CG-CZ2 4.41Å
155	T	93	Very high	86.2	Confident	41 Å²	41	44.2 Å²	44.2	25%	0.252	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.4	172.3	-60.9	0	0	0	0	110.1	G137 S138 E383 T384	G137-T155 WeakPolarHBondContact CA-O 3.43Å; S138-T155 PolarHBondContact N-O 2.96Å; S138-T155 PolarHBondContact O-N 3.48Å; T155-E383 WeakPolarHBondContact CA-O 3.34Å; T155-T384 PolarHBondContact OG1-OG1 2.85Å
156	S	88.8	Confident	85.1	Confident	13 Å²	13	39 Å²	39	9%	0.091	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-69.9	166	177.1	76.4	0	0	0	0	112	F284 E383	S156-F284 WeakPolarHBondContact OG-CZ 3.34Å; S156-E383 PolarHBondContact N-O 2.71Å; S156-E383 PolarHBondContact OG-N 2.97Å; S156-E383 PolarHBondContact OG-O 3.24Å
157	I	86.7	Confident	83.8	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-68.4	164.2	160.7	54.6	172.9	0	0	0	111.9	D135 G136 E161 V162 F165	D135-I157 HydrophobicContact CB-CD1 4.38Å; D135-I157 WeakPolarHBondContact O-CG2 3.49Å; G136-I157 VanDerWaalsContact C-CG2 3.42Å; I157-E161 HydrophobicContact CD1-CB 4.1Å; I157-V162 HydrophobicContact CD1-CB 4.44Å; I157-V162 HydrophobicContact CD1-CG2 3.8Å; I157-V162 HydrophobicContact CG1-CG2 3.67Å; I157-F165 HydrophobicContact CD1-CD2 3.77Å; I157-F165 HydrophobicContact CD1-CE2 3.54Å
158	P	87.6	Confident	82.7	Confident	37 Å²	37	46.2 Å²	46.2	24%	0.24	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-55.5	142.3	170.4	-25.4	35.6	0	0	0	112.1	G160 E161 V162 P379 T381 V382	P158-G160 VanDerWaalsContact C-N 3.27Å; P158-G160 PolarHBondContact O-N 3.31Å; P158-E161 HydrophobicContact CB-CG 4.39Å; P158-E161 PolarHBondContact O-N 3.48Å; P158-V162 PolarHBondContact O-N 3.46Å; P158-P379 CarbonylContact C-O 3.58Å; P158-P379 WeakPolarHBondContact CB-O 3.37Å; P158-T381 CarbonylContact C-O 3.55Å; P158-T381 WeakPolarHBondContact CA-O 3.37Å; P158-V382 HydrophobicContact CB-CG1 4.46Å; P158-V382 HydrophobicContact CG-CG1 4.17Å
159	Y	80.4	Confident	81.2	Confident	28 Å²	28	47.3 Å²	47.3	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-39.7	-175.9	177.3	-107.1	0	0	0	113.1	E161 V162 F284 F369 I377 P379 T381	Y159-E161 PolarHBondContact O-N 3.21Å; Y159-V162 WeakPolarHBondContact O-CB 3.49Å; Y159-V162 PolarHBondContact O-N 3.16Å; Y159-F284 HydrophobicContact CD2-CD2 4.13Å; Y159-F284 HydrophobicContact CD2-CE2 4.08Å; Y159-F284 HydrophobicContact CD2-CZ 4.45Å; Y159-F369 HydrophobicContact CE2-CE1 4.02Å; Y159-F369 AromaticContact CE2-CZ 3.5Å; Y159-F369 HydrophobicContact CE2-CZ 3.5Å; Y159-F369 VanDerWaalsContact CE2-CZ 3.5Å; Y159-F369 AromaticContact CZ-CZ 3.77Å; Y159-F369 VanDerWaalsContact OH-CE1 3.28Å; Y159-F369 WeakPolarHBondContact OH-CE1 3.46Å; Y159-F369 VanDerWaalsContact OH-CZ 3.22Å; Y159-F369 WeakPolarHBondContact OH-CZ 3.17Å; Y159-I377 HydrophobicContact CD1-CB 3.79Å; Y159-I377 HydrophobicContact CD1-CG2 3.6Å; Y159-I377 HydrophobicContact CD2-CG2 4.2Å; Y159-I377 HydrophobicContact CE1-CB 3.86Å; Y159-I377 HydrophobicContact CE1-CG2 4.17Å; Y159-I377 HydrophobicContact CE2-CD1 4.27Å; Y159-I377 HydrophobicContact CG-CB 4.25Å; Y159-I377 HydrophobicContact CG-CG2 3.62Å; Y159-P379 PolarHBondContact N-O 3.08Å; Y159-P379 VanDerWaalsContact N-O 3.14Å; Y159-T381 PolarHBondContact N-O 2.96Å
160	G	76.7	Confident	79.6	Confident	21 Å²	21	45.4 Å²	45.4	22%	0.216	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-29.9	178.4	0	0	0	0	0	113	P158 P379	P158-G160 VanDerWaalsContact C-N 3.27Å; P158-G160 PolarHBondContact O-N 3.31Å; G160-P379 PolarHBondContact N-O 2.86Å
161	E	80.6	Confident	78.2	Confident	95 Å²	95	47 Å²	47	44%	0.444	26%	0.259	S	S	.	.	H	α-helix	trans	-80.3	-27.6	177.7	-65.8	-177.5	-163.1	0	0	112.6	I157 P158 Y159 I163 N164 F165	I157-E161 HydrophobicContact CD1-CB 4.1Å; P158-E161 HydrophobicContact CB-CG 4.39Å; P158-E161 PolarHBondContact O-N 3.48Å; Y159-E161 PolarHBondContact O-N 3.21Å; E161-I163 PolarHBondContact O-N 3Å; E161-N164 WeakPolarHBondContact O-CB 3.42Å; E161-N164 PolarHBondContact O-N 3.19Å; E161-F165 WeakPolarHBondContact O-CD2 3.43Å
162	V	72.6	Confident	76.8	Confident	18 Å²	18	48.3 Å²	48.3	11%	0.109	27%	0.265	C	S	.	.	H	α-helix	trans	-56	-36.8	176.1	-178.9	0	0	0	0	110.8	I157 P158 Y159 N164 F165 F166 F284	I157-V162 HydrophobicContact CD1-CB 4.44Å; I157-V162 HydrophobicContact CD1-CG2 3.8Å; I157-V162 HydrophobicContact CG1-CG2 3.67Å; P158-V162 PolarHBondContact O-N 3.46Å; Y159-V162 WeakPolarHBondContact O-CB 3.49Å; Y159-V162 PolarHBondContact O-N 3.16Å; V162-N164 PolarHBondContact O-N 2.81Å; V162-F165 PolarHBondContact O-N 3.3Å; V162-F165 VanDerWaalsContact O-N 3.12Å; V162-F166 HydrophobicContact CG1-CD2 4.21Å; V162-F166 HydrophobicContact CG1-CE2 4.4Å; V162-F166 WeakPolarHBondContact O-CD2 3.38Å; V162-F284 HydrophobicContact CG2-CD2 4.2Å; V162-F284 HydrophobicContact CG2-CE2 3.79Å
163	I	66.9	Low	75.1	Confident	64 Å²	64	48.7 Å²	48.7	33%	0.328	27%	0.269	S	S	.	.	H	α-helix	trans	-58.8	-34.4	179.6	-59.9	174.8	0	0	0	111.4	E161 F165 F166 A170 L371	E161-I163 PolarHBondContact O-N 3Å; I163-F165 PolarHBondContact O-N 3.41Å; I163-F166 CarbonylContact O-C 3.49Å; I163-F166 PolarHBondContact O-N 3.18Å; I163-A170 HydrophobicContact CG2-CB 3.74Å; I163-L371 HydrophobicContact CD1-CD1 4.32Å
164	N	68.7	Low	73.5	Confident	125 Å²	125	50.3 Å²	50.3	67%	0.668	28%	0.283	S	S	*	.	H	α-helix	trans	-68.3	-24.3	-178.9	-62.8	-26.4	0	0	0	113	E161 V162	E161-N164 WeakPolarHBondContact O-CB 3.42Å; E161-N164 PolarHBondContact O-N 3.19Å; V162-N164 PolarHBondContact O-N 2.81Å
165	F	67.8	Low	72.4	Confident	93 Å²	93	56.1 Å²	56.1	41%	0.408	31%	0.312	S	S	.	.	H	α-helix	trans	-84.3	-14.6	178.9	-68.6	-81.8	0	0	0	113.2	D135 I157 E161 V162 I163	D135-F165 HydrophobicContact CB-CE1 4.23Å; D135-F165 HydrophobicContact CB-CE2 4.24Å; D135-F165 HydrophobicContact CB-CZ 4.05Å; D135-F165 WeakPolarHBondContact O-CZ 3.47Å; I157-F165 HydrophobicContact CD1-CD2 3.77Å; I157-F165 HydrophobicContact CD1-CE2 3.54Å; E161-F165 WeakPolarHBondContact O-CD2 3.43Å; V162-F165 PolarHBondContact O-N 3.3Å; V162-F165 VanDerWaalsContact O-N 3.12Å; I163-F165 PolarHBondContact O-N 3.41Å
166	F	68.2	Low	71.2	Confident	19 Å²	19	56.3 Å²	56.3	8%	0.083	31%	0.31	C	S	.	.			trans	-135.2	61.3	-173.6	-58.5	-73	0	0	0	111.5	V162 I163 E168 E169 A170 M276 F280 C282	V162-F166 HydrophobicContact CG1-CD2 4.21Å; V162-F166 HydrophobicContact CG1-CE2 4.4Å; V162-F166 WeakPolarHBondContact O-CD2 3.38Å; I163-F166 CarbonylContact O-C 3.49Å; I163-F166 PolarHBondContact O-N 3.18Å; F166-E168 VanDerWaalsContact C-N 3.29Å; F166-E168 PolarHBondContact O-N 3.39Å; F166-E169 WeakPolarHBondContact CA-OE2 3.46Å; F166-E169 HydrophobicContact CB-CB 4.14Å; F166-E169 WeakPolarHBondContact CB-OE2 3.47Å; F166-E169 PolarHBondContact O-N 2.95Å; F166-A170 WeakPolarHBondContact O-CB 3.41Å; F166-A170 PolarHBondContact O-N 3.39Å; F166-M276 HydrophobicContact CB-CE 4.08Å; F166-M276 HydrophobicContact CB-SD 3.87Å; F166-M276 HydrophobicContact CD1-CE 3.42Å; F166-M276 VanDerWaalsContact CD1-CE 3.42Å; F166-M276 HydrophobicContact CD1-SD 3.55Å; F166-M276 VanDerWaalsContact CD1-SD 3.55Å; F166-M276 HydrophobicContact CD2-CE 2.98Å; F166-M276 HydrophobicContact CD2-SD 3.93Å; F166-M276 HydrophobicContact CE1-CE 3.57Å; F166-M276 HydrophobicContact CE1-SD 4.16Å; F166-M276 HydrophobicContact CE2-CE 3.13Å; F166-M276 HydrophobicContact CE2-SD 4.47Å; F166-M276 HydrophobicContact CG-CE 3.15Å; F166-M276 HydrophobicContact CG-SD 3.44Å; F166-M276 WeakPolarHBondContact CG-SD 3.43Å; F166-M276 HydrophobicContact CZ-CE 3.44Å; F166-M276 VanDerWaalsContact CZ-CE 3.44Å; F166-F280 AromaticContact CD1-CD2 3.97Å; F166-F280 HydrophobicContact CD1-CD2 3.97Å; F166-F280 AromaticContact CD1-CE2 3.9Å; F166-F280 HydrophobicContact CD1-CE2 3.9Å; F166-F280 HydrophobicContact CD1-CG 4.37Å; F166-F280 HydrophobicContact CD1-CZ 4.24Å; F166-F280 HydrophobicContact CE1-CB 3.95Å; F166-F280 AromaticContact CE1-CD1 3.44Å; F166-F280 HydrophobicContact CE1-CD1 3.44Å; F166-F280 VanDerWaalsContact CE1-CD1 3.44Å; F166-F280 AromaticContact CE1-CD2 3.23Å; F166-F280 HydrophobicContact CE1-CD2 3.23Å; F166-F280 AromaticContact CE1-CE1 3.62Å; F166-F280 HydrophobicContact CE1-CE1 3.62Å; F166-F280 AromaticContact CE1-CE2 3.41Å; F166-F280 HydrophobicContact CE1-CE2 3.41Å; F166-F280 VanDerWaalsContact CE1-CE2 3.41Å; F166-F280 AromaticContact CE1-CG 3.24Å; F166-F280 HydrophobicContact CE1-CG 3.24Å; F166-F280 AromaticContact CE1-CZ 3.6Å; F166-F280 HydrophobicContact CE1-CZ 3.6Å; F166-F280 HydrophobicContact CE2-CB 4.32Å; F166-F280 HydrophobicContact CE2-CG 4.47Å; F166-F280 HydrophobicContact CZ-CB 3.45Å; F166-F280 VanDerWaalsContact CZ-CB 3.45Å; F166-F280 AromaticContact CZ-CD1 3.66Å; F166-F280 HydrophobicContact CZ-CD1 3.66Å; F166-F280 AromaticContact CZ-CD2 3.68Å; F166-F280 HydrophobicContact CZ-CD2 3.68Å; F166-F280 HydrophobicContact CZ-CE1 4.3Å; F166-F280 HydrophobicContact CZ-CE2 4.31Å; F166-F280 AromaticContact CZ-CG 3.3Å; F166-F280 HydrophobicContact CZ-CG 3.3Å; F166-C282 VanDerWaalsContact CE2-SG 3.54Å
167	P	62.3	Low	69.8	Low	85 Å²	85	56.2 Å²	56.2	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-65.2	-33.7	-175	26.9	-34.7	0	0	0	112.2	A171	P167-A171 VanDerWaalsContact O-CB 3.23Å; P167-A171 WeakPolarHBondContact O-CB 3.24Å; P167-A171 PolarHBondContact O-N 3.03Å
168	E	67.5	Low	69.1	Low	148 Å²	148	60.4 Å²	60.4	69%	0.692	33%	0.333	S	S	*	.	H	α-helix	trans	-68	-48.1	178	-66.2	-173	-179.7	0	0	110.9	F166 A170 A171 I172	F166-E168 VanDerWaalsContact C-N 3.29Å; F166-E168 PolarHBondContact O-N 3.39Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.28Å; E168-A171 PolarHBondContact O-N 3.06Å; E168-I172 WeakPolarHBondContact O-CB 3.46Å; E168-I172 VanDerWaalsContact O-CG1 3.23Å; E168-I172 WeakPolarHBondContact O-CG1 3.33Å; E168-I172 PolarHBondContact O-N 3.02Å
169	E	62.8	Low	68.4	Low	44 Å²	44	61.7 Å²	61.7	21%	0.206	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-38.1	177.3	-63.9	83.7	169.9	0	0	111.7	F166 A173 L274 M276	F166-E169 WeakPolarHBondContact CA-OE2 3.46Å; F166-E169 HydrophobicContact CB-CB 4.14Å; F166-E169 WeakPolarHBondContact CB-OE2 3.47Å; F166-E169 PolarHBondContact O-N 2.95Å; E169-A173 WeakPolarHBondContact O-CB 3.34Å; E169-A173 PolarHBondContact O-N 3.41Å; E169-L274 HydrophobicContact CB-CD2 4.48Å; E169-L274 HydrophobicContact CG-CD2 3.89Å; E169-L274 HydrophobicContact CG-CG 3.97Å; E169-M276 HydrophobicContact CB-SD 4.22Å; E169-M276 HydrophobicContact CG-SD 3.96Å
170	A	61.9	Low	67.9	Low	18 Å²	18	63.6 Å²	63.6	15%	0.149	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-41.3	174	0	0	0	0	0	111.8	I163 F166 E168 A174 L371	I163-A170 HydrophobicContact CG2-CB 3.74Å; F166-A170 WeakPolarHBondContact O-CB 3.41Å; F166-A170 PolarHBondContact O-N 3.39Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 3.28Å; A170-A174 VanDerWaalsContact O-CB 3.32Å; A170-A174 WeakPolarHBondContact O-CB 3.31Å; A170-A174 PolarHBondContact O-N 3.35Å; A170-L371 WeakPolarHBondContact O-CD2 3.13Å
171	A	65.8	Low	67.6	Low	60 Å²	60	68.8 Å²	68.8	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-67.3	-46.3	176.7	0	0	0	0	0	112	P167 E168 A173 A174 E175	P167-A171 VanDerWaalsContact O-CB 3.23Å; P167-A171 WeakPolarHBondContact O-CB 3.24Å; P167-A171 PolarHBondContact O-N 3.03Å; E168-A171 PolarHBondContact O-N 3.06Å; A171-A173 VanDerWaalsContact C-N 3.28Å; A171-A173 PolarHBondContact O-N 2.71Å; A171-A174 PolarHBondContact O-N 3.37Å; A171-E175 PolarHBondContact O-N 3.19Å
172	I	68.6	Low	67.4	Low	63 Å²	63	70.1 Å²	70.1	32%	0.323	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-45.5	176.3	-70.6	164	0	0	0	110	E168 E175 I176 F271 L274	E168-I172 WeakPolarHBondContact O-CB 3.46Å; E168-I172 VanDerWaalsContact O-CG1 3.23Å; E168-I172 WeakPolarHBondContact O-CG1 3.33Å; E168-I172 PolarHBondContact O-N 3.02Å; I172-E175 PolarHBondContact O-N 3.26Å; I172-I176 HydrophobicContact CG2-CD1 3.89Å; I172-I176 VanDerWaalsContact O-CG1 3.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.47Å; I172-I176 PolarHBondContact O-N 3.1Å; I172-F271 HydrophobicContact CG2-CE1 4.05Å; I172-L274 HydrophobicContact CD1-CD2 3.88Å; I172-L274 HydrophobicContact CG2-CD2 4.47Å
173	A	59.9	Low	67.4	Low	9 Å²	9	77 Å²	77	7%	0.074	39%	0.394	C	S	.	.	H	α-helix	trans	-64.3	-51.9	178	0	0	0	0	0	110.6	E169 A171 E175 I176 A177 L371	E169-A173 WeakPolarHBondContact O-CB 3.34Å; E169-A173 PolarHBondContact O-N 3.41Å; A171-A173 VanDerWaalsContact C-N 3.28Å; A171-A173 PolarHBondContact O-N 2.71Å; A173-E175 PolarHBondContact O-N 3.22Å; A173-I176 CarbonylContact O-C 3.57Å; A173-I176 WeakPolarHBondContact O-CA 3.36Å; A173-I176 WeakPolarHBondContact O-CB 3.46Å; A173-I176 PolarHBondContact O-N 3.37Å; A173-A177 PolarHBondContact O-N 3.33Å; A173-L371 HydrophobicContact CB-CB 3.21Å; A173-L371 HydrophobicContact CB-CD2 4.21Å; A173-L371 HydrophobicContact CB-CG 4.33Å
174	A	64.1	Low	67.6	Low	48 Å²	48	77 Å²	77	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-51.9	-36.1	176	0	0	0	0	0	113.7	A170 A171 A177 L178 L371	A170-A174 VanDerWaalsContact O-CB 3.32Å; A170-A174 WeakPolarHBondContact O-CB 3.31Å; A170-A174 PolarHBondContact O-N 3.35Å; A171-A174 PolarHBondContact O-N 3.37Å; A174-A177 WeakPolarHBondContact O-CB 3.2Å; A174-A177 PolarHBondContact O-N 3.12Å; A174-L178 PolarHBondContact O-N 3.29Å; A174-L178 VanDerWaalsContact O-N 3.12Å; A174-L371 HydrophobicContact CB-CD2 4.28Å
175	E	69.5	Low	67.9	Low	144 Å²	144	73.8 Å²	73.8	67%	0.673	39%	0.387	S	S	*	.	H	α-helix	trans	-66.1	-46.8	173.5	-174	174.8	-171.5	0	0	112.5	A171 I172 A173 A177 L178 D179	A171-E175 PolarHBondContact O-N 3.19Å; I172-E175 PolarHBondContact O-N 3.26Å; A173-E175 PolarHBondContact O-N 3.22Å; E175-A177 PolarHBondContact O-N 2.96Å; E175-L178 WeakPolarHBondContact O-CB 3.29Å; E175-L178 PolarHBondContact O-N 3.17Å; E175-D179 PolarHBondContact O-N 3Å
176	I	68.6	Low	68.3	Low	44 Å²	44	74.5 Å²	74.5	23%	0.226	40%	0.395	C	S	.	.	H	α-helix	trans	-59	-35	174	-63.5	164.5	0	0	0	110.2	I172 A173 L178 D179 I180 F271 T370 D372	I172-I176 HydrophobicContact CG2-CD1 3.89Å; I172-I176 VanDerWaalsContact O-CG1 3.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.47Å; I172-I176 PolarHBondContact O-N 3.1Å; A173-I176 CarbonylContact O-C 3.57Å; A173-I176 WeakPolarHBondContact O-CA 3.36Å; A173-I176 WeakPolarHBondContact O-CB 3.46Å; A173-I176 PolarHBondContact O-N 3.37Å; I176-L178 VanDerWaalsContact C-N 3.34Å; I176-L178 PolarHBondContact O-N 2.76Å; I176-D179 PolarHBondContact O-N 3.41Å; I176-I180 HydrophobicContact CG2-CD1 3.79Å; I176-I180 HydrophobicContact CG2-CG1 4.31Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.28Å; I176-I180 PolarHBondContact O-N 2.72Å; I176-F271 HydrophobicContact CD1-CE1 3.85Å; I176-F271 HydrophobicContact CD1-CZ 4.49Å; I176-T370 HydrophobicContact CG2-CG2 4.03Å; I176-D372 WeakPolarHBondContact CB-OD2 3.38Å; I176-D372 WeakPolarHBondContact CG2-OD2 3.33Å
177	A	59.4	Low	68.5	Low	12 Å²	12	78.2 Å²	78.2	10%	0.099	41%	0.413	C	S	.	.	H	α-helix	trans	-63.7	-46.9	177.9	0	0	0	0	0	110.8	A173 A174 E175 D179 I180 K181 D372	A173-A177 PolarHBondContact O-N 3.33Å; A174-A177 WeakPolarHBondContact O-CB 3.2Å; A174-A177 PolarHBondContact O-N 3.12Å; E175-A177 PolarHBondContact O-N 2.96Å; A177-D179 VanDerWaalsContact C-N 3.26Å; A177-D179 PolarHBondContact O-N 2.86Å; A177-I180 PolarHBondContact O-N 3.46Å; A177-K181 VanDerWaalsContact O-CB 3.29Å; A177-K181 WeakPolarHBondContact O-CB 3.48Å; A177-K181 VanDerWaalsContact O-CG 3.28Å; A177-K181 WeakPolarHBondContact O-CG 3.22Å; A177-K181 PolarHBondContact O-N 3.36Å; A177-D372 WeakPolarHBondContact CA-OD1 3.14Å; A177-D372 VanDerWaalsContact CA-OD2 3.28Å; A177-D372 WeakPolarHBondContact CA-OD2 3.44Å; A177-D372 HydrophobicContact CB-CB 3.42Å; A177-D372 VanDerWaalsContact CB-CB 3.42Å; A177-D372 WeakPolarHBondContact CB-OD1 3.19Å; A177-D372 PolarHBondContact N-OD1 2.88Å; A177-D372 PolarHBondContact N-OD2 2.79Å
178	L	71.9	Confident	69	Low	94 Å²	94	79.4 Å²	79.4	49%	0.492	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-39.6	-178.1	-134.9	163.3	0	0	0	109.3	A174 E175 I176 K182	A174-L178 PolarHBondContact O-N 3.29Å; A174-L178 VanDerWaalsContact O-N 3.12Å; E175-L178 WeakPolarHBondContact O-CB 3.29Å; E175-L178 PolarHBondContact O-N 3.17Å; I176-L178 VanDerWaalsContact C-N 3.34Å; I176-L178 PolarHBondContact O-N 2.76Å; L178-K182 HydrophobicContact CD2-CD 3.95Å; L178-K182 HydrophobicContact CD2-CG 4.22Å; L178-K182 WeakPolarHBondContact O-CB 3.18Å; L178-K182 WeakPolarHBondContact O-CD 3.33Å; L178-K182 WeakPolarHBondContact O-CG 3.46Å; L178-K182 PolarHBondContact O-N 3.17Å
179	D	71.8	Confident	69.3	Low	64 Å²	64	78.2 Å²	78.2	34%	0.342	41%	0.412	S	S	.	.	H	α-helix	trans	-67.3	-44.6	175.5	-165	42	0	0	0	112.7	E175 I176 A177 K181 K182 R183	E175-D179 PolarHBondContact O-N 3Å; I176-D179 PolarHBondContact O-N 3.41Å; A177-D179 VanDerWaalsContact C-N 3.26Å; A177-D179 PolarHBondContact O-N 2.86Å; D179-K181 PolarHBondContact O-N 3.28Å; D179-K182 PolarHBondContact O-N 3.25Å; D179-R183 VanDerWaalsContact O-CG 3.31Å; D179-R183 WeakPolarHBondContact O-CG 3.28Å; D179-R183 PolarHBondContact O-N 2.9Å; D179-R183 IonicContact OD1-NE 3.08Å; D179-R183 IonicContact OD2-CZ 3.97Å; D179-R183 IonicContact OD2-NE 2.67Å; D179-R183 PolarHBondContact OD2-NE 2.93Å; D179-R183 IonicContact OD2-NH2 2.92Å; D179-R183 PolarHBondContact OD2-NH2 3.06Å
180	I	70	Confident	69.7	Low	68 Å²	68	81.7 Å²	81.7	35%	0.349	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-43.4	174.9	-67.2	169	0	0	0	110.9	I176 A177 R183 T184 D372	I176-I180 HydrophobicContact CG2-CD1 3.79Å; I176-I180 HydrophobicContact CG2-CG1 4.31Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.28Å; I176-I180 PolarHBondContact O-N 2.72Å; A177-I180 PolarHBondContact O-N 3.46Å; I180-R183 PolarHBondContact O-N 3.38Å; I180-T184 HydrophobicContact CG2-CG2 4.4Å; I180-T184 WeakPolarHBondContact O-CB 3.25Å; I180-T184 WeakPolarHBondContact O-CG2 3.4Å; I180-T184 PolarHBondContact O-N 3.2Å; I180-T184 PolarHBondContact O-OG1 3.04Å; I180-D372 HydrophobicContact CD1-CB 4.43Å
181	K	71.1	Confident	69.8	Low	129 Å²	129	85.8 Å²	85.8	56%	0.561	45%	0.451	S	S	*	.	H	α-helix	trans	-62.2	-41.5	175.8	-77.3	176.4	-178.2	174.7	0	111.8	A177 D179 T184 A185	A177-K181 VanDerWaalsContact O-CB 3.29Å; A177-K181 WeakPolarHBondContact O-CB 3.48Å; A177-K181 VanDerWaalsContact O-CG 3.28Å; A177-K181 WeakPolarHBondContact O-CG 3.22Å; A177-K181 PolarHBondContact O-N 3.36Å; D179-K181 PolarHBondContact O-N 3.28Å; K181-T184 WeakPolarHBondContact CA-OG1 3.15Å; K181-T184 PolarHBondContact O-OG1 3.33Å; K181-A185 VanDerWaalsContact O-CB 3.25Å; K181-A185 WeakPolarHBondContact O-CB 3.2Å; K181-A185 PolarHBondContact O-N 3.05Å
182	K	77.2	Confident	69.2	Low	123 Å²	123	87.1 Å²	87.1	54%	0.535	46%	0.457	S	S	.	.	H	α-helix	trans	-62	-47.2	174	-77.9	166.9	173.4	169.3	0	111.6	L178 D179 A185 L186	L178-K182 HydrophobicContact CD2-CD 3.95Å; L178-K182 HydrophobicContact CD2-CG 4.22Å; L178-K182 WeakPolarHBondContact O-CB 3.18Å; L178-K182 WeakPolarHBondContact O-CD 3.33Å; L178-K182 WeakPolarHBondContact O-CG 3.46Å; L178-K182 PolarHBondContact O-N 3.17Å; D179-K182 PolarHBondContact O-N 3.25Å; K182-A185 PolarHBondContact O-N 3.12Å; K182-L186 WeakPolarHBondContact O-CB 3.23Å; K182-L186 WeakPolarHBondContact O-CG 3.44Å; K182-L186 PolarHBondContact O-N 3.3Å
183	R	71	Confident	68.4	Low	163 Å²	163	88.7 Å²	88.7	62%	0.615	47%	0.469	S	S	*	.	H	α-helix	trans	-62.9	-43.6	179.1	-70.1	177.2	-167.8	-164.9	4.8	112.2	D179 I180 L186 Q187	D179-R183 VanDerWaalsContact O-CG 3.31Å; D179-R183 WeakPolarHBondContact O-CG 3.28Å; D179-R183 PolarHBondContact O-N 2.9Å; D179-R183 IonicContact OD1-NE 3.08Å; D179-R183 IonicContact OD2-CZ 3.97Å; D179-R183 IonicContact OD2-NE 2.67Å; D179-R183 PolarHBondContact OD2-NE 2.93Å; D179-R183 IonicContact OD2-NH2 2.92Å; D179-R183 PolarHBondContact OD2-NH2 3.06Å; I180-R183 PolarHBondContact O-N 3.38Å; R183-L186 PolarHBondContact O-N 2.89Å; R183-Q187 WeakPolarHBondContact O-CB 3.44Å; R183-Q187 PolarHBondContact O-N 3.04Å
184	T	71.5	Confident	67.8	Low	64 Å²	64	95.9 Å²	95.9	39%	0.393	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-40	177.3	49.2	0	0	0	0	112.3	I180 K181 Q187 N188	I180-T184 HydrophobicContact CG2-CG2 4.4Å; I180-T184 WeakPolarHBondContact O-CB 3.25Å; I180-T184 WeakPolarHBondContact O-CG2 3.4Å; I180-T184 PolarHBondContact O-N 3.2Å; I180-T184 PolarHBondContact O-OG1 3.04Å; K181-T184 WeakPolarHBondContact CA-OG1 3.15Å; K181-T184 PolarHBondContact O-OG1 3.33Å; T184-Q187 PolarHBondContact O-N 2.98Å; T184-N188 PolarHBondContact O-N 2.88Å; T184-N188 PolarHBondContact O-ND2 3.35Å
185	A	75.7	Confident	66.6	Low	57 Å²	57	101.8 Å²	101.8	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-44	173.2	0	0	0	0	0	112.1	K181 K182 Q187 N188 L189	K181-A185 VanDerWaalsContact O-CB 3.25Å; K181-A185 WeakPolarHBondContact O-CB 3.2Å; K181-A185 PolarHBondContact O-N 3.05Å; K182-A185 PolarHBondContact O-N 3.12Å; A185-Q187 VanDerWaalsContact C-N 3.35Å; A185-Q187 PolarHBondContact O-N 2.68Å; A185-N188 PolarHBondContact O-N 3.07Å; A185-L189 PolarHBondContact O-N 3.34Å
186	L	76.7	Confident	64.9	Low	108 Å²	108	100.5 Å²	100.5	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-62.5	-41	175	-74.8	172.2	0	0	0	112	K182 R183 L189 L190	K182-L186 WeakPolarHBondContact O-CB 3.23Å; K182-L186 WeakPolarHBondContact O-CG 3.44Å; K182-L186 PolarHBondContact O-N 3.3Å; R183-L186 PolarHBondContact O-N 2.89Å; L186-L189 PolarHBondContact O-N 3.47Å; L186-L190 WeakPolarHBondContact O-CG 3.21Å; L186-L190 PolarHBondContact O-N 3.49Å
187	Q	72	Confident	63.2	Low	98 Å²	98	106 Å²	106	46%	0.458	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-40.1	177	-167.9	173.6	7.1	0	0	112	R183 T184 A185 L190 N191	R183-Q187 WeakPolarHBondContact O-CB 3.44Å; R183-Q187 PolarHBondContact O-N 3.04Å; T184-Q187 PolarHBondContact O-N 2.98Å; A185-Q187 VanDerWaalsContact C-N 3.35Å; A185-Q187 PolarHBondContact O-N 2.68Å; Q187-L190 PolarHBondContact O-N 3.25Å; Q187-N191 PolarHBondContact O-N 3.46Å; Q187-N191 PolarHBondContact O-ND2 3.23Å
188	N	72.2	Confident	62	Low	109 Å²	109	114.7 Å²	114.7	58%	0.583	59%	0.585	S	S	*	*	H	α-helix	trans	-66	-38.3	174.4	-71.8	-20.2	0	0	0	112.1	T184 A185 N191 S192	T184-N188 PolarHBondContact O-N 2.88Å; T184-N188 PolarHBondContact O-ND2 3.35Å; A185-N188 PolarHBondContact O-N 3.07Å; N188-N191 PolarHBondContact O-N 3.47Å; N188-S192 PolarHBondContact O-N 2.89Å; N188-S192 VanDerWaalsContact O-N 3.1Å
189	L	73.3	Confident	60.2	Low	123 Å²	123	117.9 Å²	117.9	64%	0.644	60%	0.597	S	S	*	*	H	α-helix	trans	-63.4	-44.3	175.7	-156.4	86.4	0	0	0	111.4	A185 L186 S192	A185-L189 PolarHBondContact O-N 3.34Å; L186-L189 PolarHBondContact O-N 3.47Å; L189-S192 WeakPolarHBondContact O-CB 3.44Å; L189-S192 PolarHBondContact O-N 3.07Å
190	L	71.7	Confident	58.1	Low	118 Å²	118	123.6 Å²	123.6	62%	0.618	62%	0.621	S	S	*	*	H	α-helix	trans	-61.5	-44	176.3	-76.2	162.4	0	0	0	111.7	L186 Q187 S192 T193	L186-L190 WeakPolarHBondContact O-CG 3.21Å; L186-L190 PolarHBondContact O-N 3.49Å; Q187-L190 PolarHBondContact O-N 3.25Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3Å; L190-T193 PolarHBondContact O-N 3.46Å; L190-T193 PolarHBondContact O-OG1 3.25Å
191	N	63.7	Low	56.2	Low	103 Å²	103	127.7 Å²	127.7	55%	0.551	64%	0.642	S	S	*	*	H	α-helix	trans	-66.5	-27.1	178.8	-69.2	-17.1	0	0	0	113.3	Q187 N188	Q187-N191 PolarHBondContact O-N 3.46Å; Q187-N191 PolarHBondContact O-ND2 3.23Å; N188-N191 PolarHBondContact O-N 3.47Å
192	S	53.7	Low	54.2	Low	89 Å²	89	127.1 Å²	127.1	62%	0.622	65%	0.65	S	S	*	*	H	α-helix	trans	-71.1	-28.4	179	-175.7	0	0	0	0	113.4	N188 L189 L190 H194	N188-S192 PolarHBondContact O-N 2.89Å; N188-S192 VanDerWaalsContact O-N 3.1Å; L189-S192 WeakPolarHBondContact O-CB 3.44Å; L189-S192 PolarHBondContact O-N 3.07Å; L190-S192 VanDerWaalsContact C-N 3.28Å; L190-S192 PolarHBondContact O-N 3Å; S192-H194 VanDerWaalsContact C-N 3.28Å; S192-H194 PolarHBondContact O-N 2.84Å
193	T	52.4	Low	51.8	Low	95 Å²	95	129.2 Å²	129.2	58%	0.583	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-3.6	-173.2	58.7	0	0	0	0	115.7	L190	L190-T193 PolarHBondContact O-N 3.46Å; L190-T193 PolarHBondContact O-OG1 3.25Å
194	H	45.5	Very low	49.8	Very low	161 Å²	161	129 Å²	129	75%	0.745	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	19	-178	-78.9	-59.4	0	0	0	115.8	S192	S192-H194 VanDerWaalsContact C-N 3.28Å; S192-H194 PolarHBondContact O-N 2.84Å
195	H	39.6	Very low	47.7	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.796	69%	0.687	S	S	*	*			trans	-124.4	55.5	178.1	-72.8	-45.3	0	0	0	114.4
196	T	34.6	Very low	45.3	Very low	117 Å²	117	134.3 Å²	134.3	72%	0.718	70%	0.698	S	S	*	*			trans	-143.7	96.5	165.9	48.1	0	0	0	0	110.8
197	H	32.9	Very low	42.8	Very low	159 Å²	159	136.2 Å²	136.2	74%	0.736	71%	0.709	S	S	*	*			trans	159.7	86.3	145.9	-86.9	-58.9	0	0	0	110.6
198	H	34.5	Very low	40.6	Very low	195 Å²	195	137.6 Å²	137.6	90%	0.903	72%	0.724	S	S	*	*			trans	-139.9	93.1	146.5	-96.5	-56.7	0	0	0	108.2	H200	H198-H200 PolarHBondContact O-N 2.71Å
199	H	33.4	Very low	38.4	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.745	74%	0.736	S	S	*	*			trans	-63.2	121.9	171.4	-93.3	-83.1	0	0	0	109.8	I201	H199-I201 PolarHBondContact O-N 3.3Å
200	H	27	Very low	36	Very low	183 Å²	183	143.1 Å²	143.1	85%	0.847	75%	0.749	S	S	*	*			trans	-53.6	110.1	160.1	-108.6	-100.2	0	0	0	109.5	H198	H198-H200 PolarHBondContact O-N 2.71Å
201	I	30.9	Very low	33.6	Very low	154 Å²	154	145.5 Å²	145.5	79%	0.79	76%	0.759	S	S	*	*			trans	-105.5	128.8	156.5	-68.1	177.5	0	0	0	107	H199	H199-I201 PolarHBondContact O-N 3.3Å
202	T	29.7	Very low	31.8	Very low	118 Å²	118	147.9 Å²	147.9	72%	0.724	77%	0.77	S	S	*	*			trans	-67.4	126.9	-166.4	46.6	0	0	0	0	113
203	N	26.7	Very low	30.3	Very low	167 Å²	167	150.5 Å²	150.5	89%	0.893	78%	0.777	S	S	*	*			trans	-74.7	117.5	168	-82.1	-28.7	0	0	0	109.9
204	H	28.5	Very low	29	Very low	159 Å²	159	152.9 Å²	152.9	74%	0.736	79%	0.786	S	S	*	*			trans	-119.8	121.6	157	-103.5	-76.8	0	0	0	108.9
205	D	26.1	Very low	27.9	Very low	131 Å²	131	151.5 Å²	151.5	70%	0.701	78%	0.784	S	S	*	*			trans	63.4	122.4	141.5	-60.7	-34.4	0	0	0	123.1
206	S	26.7	Very low	27.3	Very low	101 Å²	101	150.5 Å²	150.5	71%	0.706	78%	0.784	S	S	*	*			trans	85.9	113	132.2	71.8	0	0	0	0	119.2
207	N	23.4	Very low	26.7	Very low	148 Å²	148	150.8 Å²	150.8	79%	0.791	78%	0.782	S	S	*	*			trans	41.1	115.1	130.4	-65.2	-21.1	0	0	0	117.6
208	T	26	Very low	26.2	Very low	127 Å²	127	149.2 Å²	149.2	78%	0.779	78%	0.778	S	S	*	*				171.4	134.7	107.5	36.5	0	0	0	0	111.7
209	H	25.6	Very low	25.7	Very low	177 Å²	177	146 Å²	146	82%	0.819	77%	0.768	S	S	*	*			trans	42.1	86.8	151	-71.9	-69.7	0	0	0	119.9	M211	H209-M211 PolarHBondContact O-N 3.48Å
210	N	24.1	Very low	25.2	Very low	171 Å²	171	145.8 Å²	145.8	91%	0.914	77%	0.772	S	S	*	*			trans	-79.6	101.9	155	-89.5	-24.4	0	0	0	110.4
211	M	20.6	Very low	25.1	Very low	168 Å²	168	143.4 Å²	143.4	83%	0.828	77%	0.771	S	S	*	*			trans	-142.6	145.3	158.4	-90.4	-74.8	-178.8	0	0	107.6	H209	H209-M211 PolarHBondContact O-N 3.48Å
212	I	25.4	Very low	24.8	Very low	153 Å²	153	143.2 Å²	143.2	79%	0.785	78%	0.777	S	S	*	*			trans	85.2	90.7	175.9	-48.9	166.3	0	0	0	112.1
213	N	22.8	Very low	24.5	Very low	144 Å²	144	140.5 Å²	140.5	77%	0.77	77%	0.772	S	S	*	*				58.2	96.5	64.9	-144.2	28.8	0	0	0	112.5
214	N	23.9	Very low	24.4	Very low	144 Å²	144	139.3 Å²	139.3	77%	0.77	77%	0.772	S	S	*	*			trans	-175.7	106.2	151	-91.5	-21	0	0	0	107
215	N	23.6	Very low	24.2	Very low	132 Å²	132	143.4 Å²	143.4	71%	0.706	78%	0.781	S	S	*	*				39.3	99.3	84.2	-79.5	-10	0	0	0	113.1
216	N	26.3	Very low	24.4	Very low	151 Å²	151	149.3 Å²	149.3	81%	0.807	79%	0.793	S	S	*	*				-164.3	105.4	128.2	-90	-24	0	0	0	106.7
217	N	21.8	Very low	24.2	Very low	124 Å²	124	147.8 Å²	147.8	66%	0.663	79%	0.794	S	S	*	*				53.8	113.5	83.2	-83.1	-9.6	0	0	0	113.2
218	N	22.7	Very low	24.5	Very low	125 Å²	125	146.1 Å²	146.1	67%	0.668	79%	0.794	S	S	*	*				89.5	123.8	126.2	-71.2	-5.2	0	0	0	119.1
219	N	23.8	Very low	24.6	Very low	128 Å²	128	147.3 Å²	147.3	68%	0.684	79%	0.794	S	S	*	*			trans	91.1	105.3	136.4	-61.3	-9.9	0	0	0	117.1
220	N	23.8	Very low	24.9	Very low	156 Å²	156	147.7 Å²	147.7	83%	0.834	80%	0.802	S	S	*	*				34.8	95.3	109.6	-65.9	-4.1	0	0	0	115
221	T	25.3	Very low	25.1	Very low	134 Å²	134	144 Å²	144	82%	0.822	79%	0.789	S	S	*	*			trans	-138.3	96.3	144.5	54.8	0	0	0	0	108.7
222	T	23.2	Very low	25.3	Very low	149 Å²	149	144.6 Å²	144.6	91%	0.914	79%	0.79	S	S	*	*			trans	-50	126.9	144.8	45.8	0	0	0	0	109
223	G	24.5	Very low	25.3	Very low	61 Å²	61	149.1 Å²	149.1	63%	0.629	80%	0.797	S	S	*	*			trans	157.4	89.1	175.8	0	0	0	0	0	114.5
224	T	24.6	Very low	25.5	Very low	143 Å²	143	148.3 Å²	148.3	88%	0.877	80%	0.803	S	S	*	*			trans	33	106.4	134.8	5.8	0	0	0	0	118
225	R	24.3	Very low	25.5	Very low	245 Å²	245	144.4 Å²	144.4	93%	0.925	80%	0.796	S	S	*	*			trans	-179.6	103.2	138	-104.3	171.5	-176	-160.4	2.1	111.3
226	R	29.1	Very low	25.6	Very low	254 Å²	254	145.8 Å²	145.8	96%	0.958	80%	0.804	S	S	*	*				-169.7	97.5	129.3	-104	176.9	-170.3	-159.6	2.8	108.7
227	G	24.3	Very low	25.4	Very low	70 Å²	70	143.1 Å²	143.1	72%	0.722	80%	0.802	S	S	*	*			trans	-78.6	170.4	156.8	0	0	0	0	0	111.2
228	S	28.9	Very low	25.7	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	81%	0.811	S	S	*	*			trans	73.3	112.8	169.8	-146.9	0	0	0	0	113.7
229	L	27.6	Very low	25.6	Very low	151 Å²	151	145.7 Å²	145.7	79%	0.791	82%	0.816	S	S	*	*			cis	-148.5	120.3	49.6	-67.4	153.5	0	0	0	109.3
230	L	32.4	Very low	25.8	Very low	186 Å²	186	148.2 Å²	148.2	97%	0.974	83%	0.828	S	S	*	*			trans	-168.1	121.3	135.9	-117.3	99.9	0	0	0	108.9
231	S	28.4	Very low	25.8	Very low	94 Å²	94	147.6 Å²	147.6	66%	0.657	83%	0.825	S	S	*	*			trans	-92.3	134.1	-173	174.7	0	0	0	0	110.6
232	Q	24.1	Very low	25.7	Very low	179 Å²	179	148.8 Å²	148.8	84%	0.836	83%	0.826	S	S	*	*			trans	59.8	103.8	144.3	-65.6	173.5	-5.3	0	0	119.8
233	R	26.5	Very low	25.9	Very low	248 Å²	248	147.5 Å²	147.5	94%	0.936	82%	0.82	S	S	*	*				-166	119	123.5	-110.2	178.4	178.1	-162.4	-1.1	110.7
234	S	27.4	Very low	25.8	Very low	128 Å²	128	153.3 Å²	153.3	90%	0.895	83%	0.831	S	S	*	*			trans	31.4	122	148.5	-155.3	0	0	0	0	117.9
235	G	22.3	Very low	26	Very low	61 Å²	61	155 Å²	155	63%	0.629	83%	0.834	S	S	*	*			cis	134.3	139.7	38.6	0	0	0	0	0	106.6
236	D	26.2	Very low	25.8	Very low	162 Å²	162	148.8 Å²	148.8	87%	0.866	83%	0.828	S	S	*	*			trans	82.8	99.3	179.7	-53.6	-20.6	0	0	0	115.9
237	A	22.7	Very low	25.6	Very low	94 Å²	94	140 Å²	140	78%	0.777	82%	0.816	S	S	*	*				60	118.6	82.6	0	0	0	0	0	111.2
238	V	28.1	Very low	25.6	Very low	141 Å²	141	145.6 Å²	145.6	86%	0.855	82%	0.824	S	S	*	*				-156.6	141.5	55.3	-163.5	0	0	0	0	110.1
239	E	19.8	Very low	25.3	Very low	162 Å²	162	146.9 Å²	146.9	76%	0.757	82%	0.822	S	S	*	*			trans	-51.1	144.9	164.2	-73.6	160	135.4	0	0	112.7
240	L	28.5	Very low	25.1	Very low	182 Å²	182	146.8 Å²	146.8	95%	0.953	82%	0.822	S	S	*	*			trans	-152.9	116.2	139.7	-93.9	175.4	0	0	0	108.1
241	D	23.8	Very low	25	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	82%	0.819	S	S	*	*			trans	-67.4	155	-176.9	-75.5	-50.5	0	0	0	114.6
242	D	24	Very low	24.8	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	83%	0.826	S	S	*	*			trans	-48	154.2	163.8	-81.9	-49.3	0	0	0	113.6
243	P	26.7	Very low	24.9	Very low	122 Å²	122	148.8 Å²	148.8	79%	0.792	82%	0.823	S	S	*	*				-130.6	135.6	127.4	33.6	-22.6	0	0	0	113.4
244	E	21.7	Very low	25	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	82%	0.822	S	S	*	*			trans	-52.7	138.3	165.4	-60.3	175.3	141.6	0	0	112.3
245	L	28.8	Very low	25	Very low	178 Å²	178	145.4 Å²	145.4	93%	0.932	81%	0.813	S	S	*	*			trans	-142.3	108.5	154	-109.2	158.1	0	0	0	109.4
246	S	20.5	Very low	25.1	Very low	114 Å²	114	152.9 Å²	152.9	80%	0.797	82%	0.824	S	S	*	*			trans	-84.6	143.8	166.4	47.7	0	0	0	0	109.4
247	G	24	Very low	25.2	Very low	69 Å²	69	156.3 Å²	156.3	71%	0.711	83%	0.826	S	S	*	*			trans	168.5	100.9	173.5	0	0	0	0	0	115.5
248	Q	24.5	Very low	25.4	Very low	188 Å²	188	155.1 Å²	155.1	88%	0.879	82%	0.823	S	S	*	*			trans	57.3	110	138.5	-79.7	166.1	-38.2	0	0	121.9
249	D	23	Very low	25.4	Very low	141 Å²	141	160.4 Å²	160.4	75%	0.754	83%	0.827	S	S	*	*				14.4	137.6	124.5	-58.7	-31.2	0	0	0	120.9
250	D	24.2	Very low	25.6	Very low	148 Å²	148	163.6 Å²	163.6	79%	0.791	83%	0.833	S	S	*	*			trans	69.2	111.1	150.6	-56.8	-25.2	0	0	0	119.4
251	M	30.1	Very low	25.7	Very low	186 Å²	186	160.8 Å²	160.8	92%	0.916	83%	0.826	S	S	*	*				-178.3	139.6	122	-87.8	-59.3	-97.7	0	0	110.4
252	E	24.1	Very low	25.8	Very low	173 Å²	173	160.7 Å²	160.7	81%	0.808	83%	0.825	S	S	*	*			trans	-75.9	155.7	-168.8	-63.9	172.1	143.7	0	0	114.6
253	D	26.4	Very low	26.3	Very low	142 Å²	142	159 Å²	159	76%	0.759	82%	0.822	S	S	*	*			trans	54.5	104.4	144.5	-65.1	-21.1	0	0	0	121.6
254	E	27.6	Very low	26.5	Very low	197 Å²	197	161.3 Å²	161.3	92%	0.921	83%	0.827	S	S	*	*				-168	115.4	125.1	-114.1	164.4	165.9	0	0	112.5
255	P	26.9	Very low	26.8	Very low	108 Å²	108	157.9 Å²	157.9	70%	0.701	82%	0.815	S	S	*	*			trans	-104.4	112.8	178.3	34.3	-22.8	0	0	0	110.1
256	Y	26	Very low	26.9	Very low	219 Å²	219	155.4 Å²	155.4	86%	0.859	80%	0.802	S	S	*	*			trans	164.1	95.1	144.3	-101.8	-81.3	0	0	0	108
257	Y	28.3	Very low	27.6	Very low	234 Å²	234	157.1 Å²	157.1	92%	0.918	80%	0.798	S	S	*	*				178.6	127.2	128.2	-102	-75	0	0	0	111.6
258	G	26.3	Very low	28	Very low	69 Å²	69	157.3 Å²	157.3	71%	0.711	78%	0.782	S	S	*	*			trans	59.4	77.9	138.7	0	0	0	0	0	119.3	R260	G258-R260 PolarHBondContact O-N 2.84Å
259	R	27.2	Very low	28.3	Very low	251 Å²	251	156 Å²	156	95%	0.947	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.5	124.8	157.5	-149.8	-165.8	-76.6	-121.2	3.8	108.5
260	R	25.8	Very low	28.9	Very low	229 Å²	229	155.4 Å²	155.4	86%	0.864	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-57.6	144.8	-179.3	-68.1	-148.4	176	-150.6	2	111.8	G258	G258-R260 PolarHBondContact O-N 2.84Å
261	P	29	Very low	29.3	Very low	124 Å²	124	152.1 Å²	152.1	81%	0.805	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-74.1	132.6	-173.2	-7.1	24	0	0	0	111
262	N	26.2	Very low	29.4	Very low	140 Å²	140	149.6 Å²	149.6	75%	0.749	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-65.4	142.4	169.7	-85.5	-12.4	0	0	0	110.6	L264	N262-L264 PolarHBondContact O-N 2.93Å
263	P	35	Very low	29.6	Very low	122 Å²	122	147 Å²	147	79%	0.792	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-4.3	-172	-17.4	30.8	0	0	0	116
264	L	29.9	Very low	29.9	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	7.2	-173.3	-120.2	77.8	0	0	0	115.2	N262	N262-L264 PolarHBondContact O-N 2.93Å
265	N	29.3	Very low	30.1	Very low	112 Å²	112	139 Å²	139	60%	0.599	68%	0.681	S	S	*	*			trans	-125.3	56.6	-176.7	-144.9	0.4	0	0	0	111.7	N268	N265-N268 PolarHBondContact ND2-ND2 2.71Å; N265-N268 PolarHBondContact OD1-ND2 2.82Å; N265-N268 VanDerWaalsContact OD1-ND2 3.16Å
266	N	30.9	Very low	30.6	Very low	125 Å²	125	135.3 Å²	135.3	67%	0.668	66%	0.655	S	S	*	*			trans	-88.2	-7.9	-178.1	-142.9	22.6	0	0	0	113.9
267	H	34.1	Very low	31.1	Very low	150 Å²	150	126 Å²	126	69%	0.694	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-11	177.1	-75.2	-61.3	0	0	0	114.4	K269 F271	H267-K269 PolarHBondContact O-N 2.85Å; H267-F271 WeakPolarHBondContact O-CD2 3.5Å; H267-F271 WeakPolarHBondContact O-CE2 3.45Å
268	N	32.7	Very low	31.3	Very low	73 Å²	73	117.8 Å²	117.8	39%	0.39	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-0.8	-176.4	-87.8	-23.9	0	0	0	115.9	N265	N265-N268 PolarHBondContact ND2-ND2 2.71Å; N265-N268 PolarHBondContact OD1-ND2 2.82Å; N265-N268 VanDerWaalsContact OD1-ND2 3.16Å
269	K	32.5	Very low	31.8	Very low	162 Å²	162	122.2 Å²	122.2	70%	0.704	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-36.2	176.9	-81	-176.9	178.8	174.9	0	112.5	H267	H267-K269 PolarHBondContact O-N 2.85Å
270	D	33.8	Very low	32.5	Very low	128 Å²	128	114.5 Å²	114.5	68%	0.684	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-76.7	-25.3	-178.2	-58.9	-23.9	0	0	0	111.9	K272	D270-K272 VanDerWaalsContact C-N 3.32Å; D270-K272 PolarHBondContact O-N 2.7Å
271	F	34.1	Very low	33.3	Very low	79 Å²	79	108.3 Å²	108.3	35%	0.346	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-72.2	-16.1	178	-75.4	-70.3	0	0	0	115.4	I172 I176 H267 D273	I172-F271 HydrophobicContact CG2-CE1 4.05Å; I176-F271 HydrophobicContact CD1-CE1 3.85Å; I176-F271 HydrophobicContact CD1-CZ 4.49Å; H267-F271 WeakPolarHBondContact O-CD2 3.5Å; H267-F271 WeakPolarHBondContact O-CE2 3.45Å; F271-D273 VanDerWaalsContact C-N 3.28Å; F271-D273 PolarHBondContact O-N 3.16Å
272	K	30.9	Very low	33.9	Very low	132 Å²	132	102.8 Å²	102.8	57%	0.574	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-71.8	-23.8	-177.7	-115.1	179.8	178.4	-178.1	0	113.5	D270	D270-K272 VanDerWaalsContact C-N 3.32Å; D270-K272 PolarHBondContact O-N 2.7Å
273	D	28.8	Very low	35.3	Very low	119 Å²	119	96.9 Å²	96.9	64%	0.636	49%	0.487	S	S	*	.	S	Bend	trans	-99.2	-6.8	-173.7	-77	-6.9	0	0	0	113.7	F271 R275	F271-D273 VanDerWaalsContact C-N 3.28Å; F271-D273 PolarHBondContact O-N 3.16Å; D273-R275 PolarHBondContact O-N 2.84Å
274	L	31.9	Very low	36.7	Very low	74 Å²	74	92 Å²	92	39%	0.387	45%	0.453	S	S	.	.			trans	-80.1	46.6	174	-118.6	74.4	0	0	0	111.8	E169 I172 M276	E169-L274 HydrophobicContact CB-CD2 4.48Å; E169-L274 HydrophobicContact CG-CD2 3.89Å; E169-L274 HydrophobicContact CG-CG 3.97Å; I172-L274 HydrophobicContact CD1-CD2 3.88Å; I172-L274 HydrophobicContact CG2-CD2 4.47Å; L274-M276 PolarHBondContact O-N 3.27Å
275	R	33.2	Very low	38.6	Very low	97 Å²	97	84.9 Å²	84.9	37%	0.366	42%	0.417	S	S	.	.			trans	-88.1	103.1	172.7	-178.1	176.1	170.8	130.8	9.6	108.6	D273 S277 C278	D273-R275 PolarHBondContact O-N 2.84Å; R275-S277 WeakPolarHBondContact CG-OG 3.36Å; R275-S277 VanDerWaalsContact CZ-OG 3.25Å; R275-S277 PolarHBondContact NE-OG 3.01Å; R275-S277 PolarHBondContact NH2-OG 2.99Å; R275-S277 VanDerWaalsContact NH2-OG 3.14Å; R275-S277 PolarHBondContact O-N 3.14Å; R275-C278 PolarHBondContact NE-SG 3.19Å
276	M	36.8	Very low	40.9	Very low	31 Å²	31	79.9 Å²	79.9	15%	0.153	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.3	170	-79.1	-48.8	-47.1	0	0	114.6	F166 E169 L274 F280	F166-M276 HydrophobicContact CB-CE 4.08Å; F166-M276 HydrophobicContact CB-SD 3.87Å; F166-M276 HydrophobicContact CD1-CE 3.42Å; F166-M276 VanDerWaalsContact CD1-CE 3.42Å; F166-M276 HydrophobicContact CD1-SD 3.55Å; F166-M276 VanDerWaalsContact CD1-SD 3.55Å; F166-M276 HydrophobicContact CD2-CE 2.98Å; F166-M276 HydrophobicContact CD2-SD 3.93Å; F166-M276 HydrophobicContact CE1-CE 3.57Å; F166-M276 HydrophobicContact CE1-SD 4.16Å; F166-M276 HydrophobicContact CE2-CE 3.13Å; F166-M276 HydrophobicContact CE2-SD 4.47Å; F166-M276 HydrophobicContact CG-CE 3.15Å; F166-M276 HydrophobicContact CG-SD 3.44Å; F166-M276 WeakPolarHBondContact CG-SD 3.43Å; F166-M276 HydrophobicContact CZ-CE 3.44Å; F166-M276 VanDerWaalsContact CZ-CE 3.44Å; E169-M276 HydrophobicContact CB-SD 4.22Å; E169-M276 HydrophobicContact CG-SD 3.96Å; L274-M276 PolarHBondContact O-N 3.27Å; M276-F280 HydrophobicContact CE-CB 4.35Å; M276-F280 HydrophobicContact CE-CD2 3.81Å; M276-F280 HydrophobicContact CE-CG 4.4Å; M276-F280 HydrophobicContact SD-CD2 4.12Å; M276-F280 HydrophobicContact SD-CE2 4.39Å
277	S	36.7	Very low	43.1	Very low	24 Å²	24	75.9 Å²	75.9	17%	0.168	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	9.3	-170.1	58.5	0	0	0	0	117.5	R275 F284	R275-S277 WeakPolarHBondContact CG-OG 3.36Å; R275-S277 VanDerWaalsContact CZ-OG 3.25Å; R275-S277 PolarHBondContact NE-OG 3.01Å; R275-S277 PolarHBondContact NH2-OG 2.99Å; R275-S277 VanDerWaalsContact NH2-OG 3.14Å; R275-S277 PolarHBondContact O-N 3.14Å; S277-F284 VanDerWaalsContact CB-O 3.28Å; S277-F284 WeakPolarHBondContact CB-O 3.48Å
278	C	32.9	Very low	45	Very low	61 Å²	61	70 Å²	70	41%	0.412	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	-32.6	175.1	-70.8	0	0	0	0	116.5	R275	R275-C278 PolarHBondContact NE-SG 3.19Å
279	K	37.2	Very low	47.2	Very low	161 Å²	161	70.4 Å²	70.4	70%	0.7	35%	0.347	S	S	*	.	S	Bend	trans	-79.4	-28.6	179.9	-83.8	-178	179	171.3	0	112.6
280	F	40.7	Very low	49.7	Very low	89 Å²	89	66.2 Å²	66.2	39%	0.39	33%	0.327	S	S	.	.	S	Bend	trans	-106.1	136.8	-179.8	-58.5	-71.7	0	0	0	110.7	F166 M276 C282	F166-F280 AromaticContact CD1-CD2 3.97Å; F166-F280 HydrophobicContact CD1-CD2 3.97Å; F166-F280 AromaticContact CD1-CE2 3.9Å; F166-F280 HydrophobicContact CD1-CE2 3.9Å; F166-F280 HydrophobicContact CD1-CG 4.37Å; F166-F280 HydrophobicContact CD1-CZ 4.24Å; F166-F280 HydrophobicContact CE1-CB 3.95Å; F166-F280 AromaticContact CE1-CD1 3.44Å; F166-F280 HydrophobicContact CE1-CD1 3.44Å; F166-F280 VanDerWaalsContact CE1-CD1 3.44Å; F166-F280 AromaticContact CE1-CD2 3.23Å; F166-F280 HydrophobicContact CE1-CD2 3.23Å; F166-F280 AromaticContact CE1-CE1 3.62Å; F166-F280 HydrophobicContact CE1-CE1 3.62Å; F166-F280 AromaticContact CE1-CE2 3.41Å; F166-F280 HydrophobicContact CE1-CE2 3.41Å; F166-F280 VanDerWaalsContact CE1-CE2 3.41Å; F166-F280 AromaticContact CE1-CG 3.24Å; F166-F280 HydrophobicContact CE1-CG 3.24Å; F166-F280 AromaticContact CE1-CZ 3.6Å; F166-F280 HydrophobicContact CE1-CZ 3.6Å; F166-F280 HydrophobicContact CE2-CB 4.32Å; F166-F280 HydrophobicContact CE2-CG 4.47Å; F166-F280 HydrophobicContact CZ-CB 3.45Å; F166-F280 VanDerWaalsContact CZ-CB 3.45Å; F166-F280 AromaticContact CZ-CD1 3.66Å; F166-F280 HydrophobicContact CZ-CD1 3.66Å; F166-F280 AromaticContact CZ-CD2 3.68Å; F166-F280 HydrophobicContact CZ-CD2 3.68Å; F166-F280 HydrophobicContact CZ-CE1 4.3Å; F166-F280 HydrophobicContact CZ-CE2 4.31Å; F166-F280 AromaticContact CZ-CG 3.3Å; F166-F280 HydrophobicContact CZ-CG 3.3Å; M276-F280 HydrophobicContact CE-CB 4.35Å; M276-F280 HydrophobicContact CE-CD2 3.81Å; M276-F280 HydrophobicContact CE-CG 4.4Å; M276-F280 HydrophobicContact SD-CD2 4.12Å; M276-F280 HydrophobicContact SD-CE2 4.39Å; F280-C282 PolarHBondContact O-N 2.85Å
281	K	43.4	Very low	52.1	Low	100 Å²	100	61.1 Å²	61.1	44%	0.435	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-0.5	-169.8	-140.7	169.1	-174.2	-166.5	0	114	E131 Y133 R154	E131-K281 IonicContact OE1-NZ 3.95Å; E131-K281 PolarHBondContact OE1-NZ 2.97Å; E131-K281 IonicContact OE2-NZ 3.71Å; Y133-K281 HydrophobicContact CD1-CD 3.35Å; Y133-K281 HydrophobicContact CD1-CG 4.04Å; Y133-K281 VanDerWaalsContact CD1-NZ 3.3Å; Y133-K281 HydrophobicContact CE1-CD 3.49Å; Y133-K281 VanDerWaalsContact CE1-CD 3.49Å; Y133-K281 HydrophobicContact CE1-CG 4.01Å; Y133-K281 HydrophobicContact CG-CD 4.15Å; Y133-K281 HydrophobicContact CG-CG 4.49Å; R154-K281 PolarHBondContact NH2-O 3.45Å
282	C	40.2	Very low	54.5	Low	7 Å²	7	62.3 Å²	62.3	5%	0.047	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-0.2	-173.4	39.3	0	0	0	0	116.7	D135 F166 F280 F284	D135-C282 HydrophobicContact CB-CB 4.43Å; D135-C282 WeakPolarHBondContact OD2-CB 3.48Å; F166-C282 VanDerWaalsContact CE2-SG 3.54Å; F280-C282 PolarHBondContact O-N 2.85Å; C282-F284 PolarHBondContact O-N 3.18Å
283	G	56.2	Low	57	Low	17 Å²	17	58.6 Å²	58.6	18%	0.175	29%	0.294	C	S	.	.			trans	-67.8	117.1	-162.9	0	0	0	0	0	117.9	V285	G283-V285 PolarHBondContact O-N 2.93Å
284	F	64.8	Low	59.6	Low	20 Å²	20	54.1 Å²	54.1	9%	0.088	27%	0.269	C	S	.	.			trans	-53.1	132.2	157.2	-75.2	-98.8	0	0	0	109.9	S156 Y159 V162 S277 C282 T381 E383 R402	S156-F284 WeakPolarHBondContact OG-CZ 3.34Å; Y159-F284 HydrophobicContact CD2-CD2 4.13Å; Y159-F284 HydrophobicContact CD2-CE2 4.08Å; Y159-F284 HydrophobicContact CD2-CZ 4.45Å; V162-F284 HydrophobicContact CG2-CD2 4.2Å; V162-F284 HydrophobicContact CG2-CE2 3.79Å; S277-F284 VanDerWaalsContact CB-O 3.28Å; S277-F284 WeakPolarHBondContact CB-O 3.48Å; C282-F284 PolarHBondContact O-N 3.18Å; F284-T381 HydrophobicContact CE1-CG2 4.19Å; F284-T381 WeakPolarHBondContact CZ-O 3.37Å; F284-E383 VanDerWaalsContact CA-OE2 3.24Å; F284-E383 WeakPolarHBondContact CA-OE2 3.34Å; F284-E383 HydrophobicContact CD1-CB 3.67Å; F284-E383 HydrophobicContact CE1-CB 3.73Å; F284-E383 HydrophobicContact CG-CB 4.42Å; F284-R402 HydrophobicContact CD1-CG 4.47Å; F284-R402 HydrophobicContact CE1-CG 4.26Å
285	V	69.1	Low	62.1	Low	21 Å²	21	54.1 Å²	54.1	13%	0.127	27%	0.27	C	S	.	.			trans	-116.2	-22.3	177.7	166.6	0	0	0	0	112.7	G283 E383 W412	G283-V285 PolarHBondContact O-N 2.93Å; V285-E383 PolarHBondContact N-OE1 3.24Å; V285-E383 PolarHBondContact N-OE2 3.45Å; V285-W412 HydrophobicContact CG1-CH2 4.1Å; V285-W412 HydrophobicContact CG1-CZ3 3.88Å
286	L	78.9	Confident	64.4	Low	7 Å²	7	56.5 Å²	56.5	4%	0.037	28%	0.279	C	S	.	.			trans	-79	135.9	173.9	-60.8	-176.2	0	0	0	110.8	E383 C400 R402 V406	L286-E383 PolarHBondContact N-OE2 3.47Å; L286-E383 VanDerWaalsContact N-OE2 3.09Å; L286-C400 HydrophobicContact CD1-CB 3.94Å; L286-C400 WeakPolarHBondContact CD1-O 3.38Å; L286-C400 HydrophobicContact CD2-CB 4.42Å; L286-C400 HydrophobicContact CG-CB 4.31Å; L286-R402 HydrophobicContact CD1-CB 4.41Å; L286-R402 PolarHBondContact O-NH1 3.3Å; L286-R402 VanDerWaalsContact O-NH1 3.08Å; L286-V406 HydrophobicContact CB-CG1 4.2Å; L286-V406 HydrophobicContact CD1-CG1 4.26Å; L286-V406 WeakPolarHBondContact CD1-O 3.2Å
287	S	75.8	Confident	66.1	Low	41 Å²	41	58.9 Å²	58.9	29%	0.287	29%	0.286	S	S	.	.			trans	-110.1	136.6	173.6	168.6	0	0	0	0	108	Q289	S287-Q289 VanDerWaalsContact OG-CB 3.31Å; S287-Q289 WeakPolarHBondContact OG-CB 3.4Å; S287-Q289 PolarHBondContact OG-N 2.86Å; S287-Q289 VanDerWaalsContact OG-N 3.09Å
288	S	74.6	Confident	68	Low	26 Å²	26	60.8 Å²	60.8	18%	0.182	29%	0.292	C	S	.	.	S	Bend	trans	-70.2	-23.2	170.1	17.4	0	0	0	0	111.6	R290 D375 R402 F425	S288-R290 PolarHBondContact O-N 3.12Å; S288-D375 WeakPolarHBondContact CB-OD2 3.36Å; S288-D375 WeakPolarHBondContact OG-CB 3.45Å; S288-D375 PolarHBondContact OG-OD2 3.14Å; S288-R402 VanDerWaalsContact N-NH2 3.17Å; S288-R402 PolarHBondContact OG-NH2 3.44Å; S288-F425 WeakPolarHBondContact O-CE1 3.25Å
289	Q	79.8	Confident	70.1	Confident	83 Å²	83	63.1 Å²	63.1	39%	0.388	30%	0.297	S	S	.	.	S	Bend	trans	-61.9	130	173.1	-54.8	-174.6	3.2	0	0	111.6	S287 D375	S287-Q289 VanDerWaalsContact OG-CB 3.31Å; S287-Q289 WeakPolarHBondContact OG-CB 3.4Å; S287-Q289 PolarHBondContact OG-N 2.86Å; S287-Q289 VanDerWaalsContact OG-N 3.09Å; Q289-D375 WeakPolarHBondContact CG-OD2 3.5Å; Q289-D375 PolarHBondContact N-OD2 3.07Å
290	R	84.1	Confident	72	Confident	73 Å²	73	62.9 Å²	62.9	28%	0.275	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-62.5	151	170.7	-65.6	-177.2	-177.3	167.9	-0.6	111	S288 L295 F425 D427 E431	S288-R290 PolarHBondContact O-N 3.12Å; R290-L295 HydrophobicContact CB-CD2 4.22Å; R290-L295 HydrophobicContact CB-CG 4.28Å; R290-F425 HydrophobicContact CG-CE1 4.38Å; R290-F425 HydrophobicContact CG-CZ 4.27Å; R290-D427 IonicContact CZ-OD2 3.12Å; R290-D427 IonicContact NE-OD2 3.9Å; R290-D427 IonicContact NH2-OD2 2.77Å; R290-D427 PolarHBondContact NH2-OD2 2.91Å; R290-E431 WeakPolarHBondContact CA-OE1 3.43Å; R290-E431 WeakPolarHBondContact CB-OE1 3.46Å
291	S	85	Confident	73.3	Confident	22 Å²	22	63.4 Å²	63.4	15%	0.154	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-62.2	144.6	179.2	60.1	0	0	0	0	112	L293 M294 L295 E431 L440	S291-L293 PolarHBondContact O-N 3.42Å; S291-M294 WeakPolarHBondContact O-CA 3.39Å; S291-M294 WeakPolarHBondContact O-CB 3.46Å; S291-M294 PolarHBondContact O-N 3.42Å; S291-M294 PolarHBondContact OG-N 2.94Å; S291-L295 PolarHBondContact O-N 2.66Å; S291-E431 WeakPolarHBondContact CB-OE2 3.41Å; S291-E431 PolarHBondContact N-OE1 3.5Å; S291-E431 PolarHBondContact N-OE2 3.24Å; S291-E431 VanDerWaalsContact OG-CD 3.28Å; S291-E431 PolarHBondContact OG-OE1 3.28Å; S291-E431 PolarHBondContact OG-OE2 3.32Å; S291-L440 WeakPolarHBondContact OG-CD2 3.35Å
292	E	83.6	Confident	74.7	Confident	104 Å²	104	64.4 Å²	64.4	49%	0.486	31%	0.312	S	S	.	.	H	α-helix	trans	-51.8	-34.6	173.7	-72.8	-176.2	-141.4	0	0	112.3	L295 R296	E292-L295 PolarHBondContact O-N 3.45Å; E292-R296 WeakPolarHBondContact O-CB 3.36Å; E292-R296 VanDerWaalsContact O-CG 3.24Å; E292-R296 WeakPolarHBondContact O-CG 3.48Å; E292-R296 PolarHBondContact O-N 2.95Å; E292-R296 IonicContact OE2-CZ 2.77Å; E292-R296 IonicContact OE2-NE 3.7Å; E292-R296 IonicContact OE2-NH2 3.74Å; E292-R296 PolarHBondContact OE2-NH2 3.35Å
293	L	82.8	Confident	75.4	Confident	54 Å²	54	71 Å²	71	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-38.8	179.6	-168.4	149.3	0	0	0	111.6	S291 R297 L440 V441 L443	S291-L293 PolarHBondContact O-N 3.42Å; L293-R297 PolarHBondContact O-N 2.85Å; L293-L440 WeakPolarHBondContact CD1-O 3.5Å; L293-V441 WeakPolarHBondContact CD1-O 3.45Å; L293-L443 HydrophobicContact CD2-CB 3.33Å; L293-L443 HydrophobicContact CD2-CD2 3.93Å; L293-L443 HydrophobicContact CD2-CG 4.3Å
294	M	83.7	Confident	75.3	Confident	24 Å²	24	75.7 Å²	75.7	12%	0.118	37%	0.368	C	S	.	.	H	α-helix	trans	-63.3	-50.5	169.7	-95.3	-62.3	-152.1	0	0	111.6	S291 R297 Q298 V429 E431 L443	S291-M294 WeakPolarHBondContact O-CA 3.39Å; S291-M294 WeakPolarHBondContact O-CB 3.46Å; S291-M294 PolarHBondContact O-N 3.42Å; S291-M294 PolarHBondContact OG-N 2.94Å; M294-R297 PolarHBondContact O-N 3.2Å; M294-R297 VanDerWaalsContact O-N 3.08Å; M294-Q298 PolarHBondContact O-N 2.95Å; M294-V429 HydrophobicContact CE-CG1 4.24Å; M294-E431 WeakPolarHBondContact CB-OE1 3.36Å; M294-E431 HydrophobicContact CE-CG 3.62Å; M294-E431 VanDerWaalsContact CG-CD 3.45Å; M294-E431 HydrophobicContact CG-CG 3.48Å; M294-E431 VanDerWaalsContact CG-CG 3.48Å; M294-E431 VanDerWaalsContact CG-OE1 3.22Å; M294-E431 WeakPolarHBondContact CG-OE1 2.99Å; M294-E431 HydrophobicContact SD-CG 4.45Å; M294-L443 HydrophobicContact CE-CD1 3.86Å; M294-L443 HydrophobicContact CE-CD2 3.93Å; M294-L443 HydrophobicContact CG-CD2 3.84Å; M294-L443 HydrophobicContact SD-CD1 4.25Å; M294-L443 HydrophobicContact SD-CD2 3.25Å; M294-L443 WeakPolarHBondContact SD-CD2 3.46Å; M294-L443 HydrophobicContact SD-CG 4.39Å
295	L	84.5	Confident	74.4	Confident	75 Å²	75	78.1 Å²	78.1	39%	0.393	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-48.5	-176.7	-66.5	174.2	0	0	0	112.3	R290 S291 E292 R297 Q298 Q299	R290-L295 HydrophobicContact CB-CD2 4.22Å; R290-L295 HydrophobicContact CB-CG 4.28Å; S291-L295 PolarHBondContact O-N 2.66Å; E292-L295 PolarHBondContact O-N 3.45Å; L295-R297 PolarHBondContact O-N 2.62Å; L295-R297 VanDerWaalsContact O-N 3.13Å; L295-Q298 PolarHBondContact O-N 3.05Å; L295-Q299 WeakPolarHBondContact O-CG 3.4Å; L295-Q299 PolarHBondContact O-N 3.23Å
296	R	81.1	Confident	72.8	Confident	147 Å²	147	80.5 Å²	80.5	56%	0.555	42%	0.416	S	S	*	.	H	α-helix	trans	-56.8	-30.6	175.7	-73.8	178.2	-167.6	-173.8	8.3	112.1	E292 K300	E292-R296 WeakPolarHBondContact O-CB 3.36Å; E292-R296 VanDerWaalsContact O-CG 3.24Å; E292-R296 WeakPolarHBondContact O-CG 3.48Å; E292-R296 PolarHBondContact O-N 2.95Å; E292-R296 IonicContact OE2-CZ 2.77Å; E292-R296 IonicContact OE2-NE 3.7Å; E292-R296 IonicContact OE2-NH2 3.74Å; E292-R296 PolarHBondContact OE2-NH2 3.35Å; R296-K300 WeakPolarHBondContact O-CG 3.36Å; R296-K300 PolarHBondContact O-N 3.09Å
297	R	74	Confident	70.7	Confident	80 Å²	80	82.8 Å²	82.8	30%	0.302	44%	0.441	S	S	.	.	H	α-helix	trans	-81.8	-40.2	178.3	-174.8	139.3	174.1	-178.7	-9.4	112.9	L293 M294 L295 Q299 K300 L301 W445	L293-R297 PolarHBondContact O-N 2.85Å; M294-R297 PolarHBondContact O-N 3.2Å; M294-R297 VanDerWaalsContact O-N 3.08Å; L295-R297 PolarHBondContact O-N 2.62Å; L295-R297 VanDerWaalsContact O-N 3.13Å; R297-Q299 VanDerWaalsContact C-N 3.27Å; R297-Q299 PolarHBondContact O-N 2.73Å; R297-K300 WeakPolarHBondContact O-CB 3.36Å; R297-K300 PolarHBondContact O-N 2.88Å; R297-K300 VanDerWaalsContact O-N 3.14Å; R297-L301 HydrophobicContact CG-CD1 4.41Å; R297-L301 PolarHBondContact O-N 3.41Å; R297-W445 HydrophobicContact CG-CH2 3.8Å; R297-W445 HydrophobicContact CG-CZ2 4.36Å; R297-W445 VanDerWaalsContact CZ-CZ3 3.48Å; R297-W445 VanDerWaalsContact NH1-NE1 3.17Å; R297-W445 VanDerWaalsContact NH2-CE2 3.26Å
298	Q	75.6	Confident	68.6	Low	64 Å²	64	85.5 Å²	85.5	30%	0.299	46%	0.46	S	S	.	.	H	α-helix	trans	-57.7	-43.3	172.5	-72.9	-178.9	-11.3	0	0	110.8	M294 L295 K300 L301 N302	M294-Q298 PolarHBondContact O-N 2.95Å; L295-Q298 PolarHBondContact O-N 3.05Å; Q298-K300 PolarHBondContact O-N 3.26Å; Q298-L301 PolarHBondContact O-N 2.91Å; Q298-N302 WeakPolarHBondContact O-CB 3.44Å; Q298-N302 PolarHBondContact O-N 3.43Å; Q298-N302 PolarHBondContact O-ND2 2.54Å; Q298-N302 PolarHBondContact O-OD1 3.46Å
299	Q	77.6	Confident	66.5	Low	111 Å²	111	92 Å²	92	52%	0.519	49%	0.492	S	S	.	.	H	α-helix	trans	-57	-49	172.5	-70.1	172.4	-11.4	0	0	111.7	L295 R297 L301 N302 H303	L295-Q299 WeakPolarHBondContact O-CG 3.4Å; L295-Q299 PolarHBondContact O-N 3.23Å; R297-Q299 VanDerWaalsContact C-N 3.27Å; R297-Q299 PolarHBondContact O-N 2.73Å; Q299-L301 VanDerWaalsContact C-N 3.33Å; Q299-L301 PolarHBondContact O-N 2.72Å; Q299-N302 PolarHBondContact O-N 3.41Å; Q299-H303 PolarHBondContact O-CD2 2.89Å; Q299-H303 PolarHBondContact O-N 3.48Å
300	K	76.9	Confident	64.2	Low	156 Å²	156	94.6 Å²	94.6	68%	0.678	51%	0.507	S	S	*	.	H	α-helix	trans	-59.3	-39.3	177.3	-76.3	176.9	-177.7	-176.6	0	113.4	R296 R297 Q298 T304	R296-K300 WeakPolarHBondContact O-CG 3.36Å; R296-K300 PolarHBondContact O-N 3.09Å; R297-K300 WeakPolarHBondContact O-CB 3.36Å; R297-K300 PolarHBondContact O-N 2.88Å; R297-K300 VanDerWaalsContact O-N 3.14Å; Q298-K300 PolarHBondContact O-N 3.26Å; K300-T304 WeakPolarHBondContact O-CG2 3.4Å
301	L	68.6	Low	61.5	Low	100 Å²	100	99.5 Å²	99.5	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-69.2	-43.4	176.9	-72.1	168.6	0	0	0	111.3	R297 Q298 Q299 H303 T304	R297-L301 HydrophobicContact CG-CD1 4.41Å; R297-L301 PolarHBondContact O-N 3.41Å; Q298-L301 PolarHBondContact O-N 2.91Å; Q299-L301 VanDerWaalsContact C-N 3.33Å; Q299-L301 PolarHBondContact O-N 2.72Å; L301-H303 VanDerWaalsContact C-N 3.35Å; L301-H303 PolarHBondContact O-N 3.29Å; L301-T304 PolarHBondContact O-N 2.88Å; L301-T304 VanDerWaalsContact O-N 3.13Å; L301-T304 PolarHBondContact O-OG1 2.94Å
302	N	71.5	Confident	58.8	Low	120 Å²	120	108.6 Å²	108.6	64%	0.642	57%	0.568	S	S	*	*	H	α-helix	trans	-63.7	-38.4	-179.9	-66.2	-11.1	0	0	0	112.4	Q298 Q299 T304 G305	Q298-N302 WeakPolarHBondContact O-CB 3.44Å; Q298-N302 PolarHBondContact O-N 3.43Å; Q298-N302 PolarHBondContact O-ND2 2.54Å; Q298-N302 PolarHBondContact O-OD1 3.46Å; Q299-N302 PolarHBondContact O-N 3.41Å; N302-T304 PolarHBondContact O-N 3.45Å; N302-G305 PolarHBondContact O-N 3.45Å
303	H	55.9	Low	56	Low	146 Å²	146	114.5 Å²	114.5	68%	0.676	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-12.8	177.2	-65.4	-50.5	0	0	0	114.4	Q299 L301	Q299-H303 PolarHBondContact O-CD2 2.89Å; Q299-H303 PolarHBondContact O-N 3.48Å; L301-H303 VanDerWaalsContact C-N 3.35Å; L301-H303 PolarHBondContact O-N 3.29Å
304	T	52.8	Low	53.3	Low	116 Å²	116	115.3 Å²	115.3	71%	0.712	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-12.6	176	62.4	0	0	0	0	113.9	K300 L301 N302	K300-T304 WeakPolarHBondContact O-CG2 3.4Å; L301-T304 PolarHBondContact O-N 2.88Å; L301-T304 VanDerWaalsContact O-N 3.13Å; L301-T304 PolarHBondContact O-OG1 2.94Å; N302-T304 PolarHBondContact O-N 3.45Å
305	G	47.2	Very low	50.6	Low	71 Å²	71	120 Å²	120	73%	0.732	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-19.9	-176.1	0	0	0	0	0	116.8	N302	N302-G305 PolarHBondContact O-N 3.45Å
306	S	35.7	Very low	47.8	Very low	71 Å²	71	119 Å²	119	50%	0.497	65%	0.65	S	S	.	*	S	Bend	trans	-111.8	20.8	-177.3	-171.4	0	0	0	0	112.8	E351	S306-E351 PolarHBondContact OG-OE2 3.33Å
307	G	34.1	Very low	45.4	Very low	54 Å²	54	120.7 Å²	120.7	56%	0.557	66%	0.664	S	S	*	*			trans	-103.9	88.7	171.5	0	0	0	0	0	109.1	L309	G307-L309 PolarHBondContact O-N 2.93Å
308	S	31.6	Very low	43.1	Very low	99 Å²	99	124.6 Å²	124.6	69%	0.692	69%	0.69	S	S	*	*			trans	-31.9	126	156.4	178.4	0	0	0	0	108.6	I310	S308-I310 PolarHBondContact O-N 3.45Å
309	L	30.9	Very low	40.9	Very low	161 Å²	161	133.1 Å²	133.1	84%	0.843	72%	0.72	S	S	*	*			trans	-54.3	81.3	159.3	-75.9	157.4	0	0	0	106.4	G307 K311	G307-L309 PolarHBondContact O-N 2.93Å; L309-K311 PolarHBondContact O-N 3.48Å
310	I	30.6	Very low	38.6	Very low	139 Å²	139	133.8 Å²	133.8	71%	0.713	74%	0.737	S	S	*	*			trans	-63.8	91.5	158.8	-65	178.6	0	0	0	101.6	S308 F312	S308-I310 PolarHBondContact O-N 3.45Å; I310-F312 PolarHBondContact O-N 2.92Å
311	K	27.7	Very low	36.5	Very low	176 Å²	176	129.9 Å²	129.9	77%	0.765	74%	0.741	S	S	*	*			trans	-38.4	109.2	165.3	-69.7	173.7	177.5	173.5	0	104.9	L309 R313	L309-K311 PolarHBondContact O-N 3.48Å; K311-R313 HydrophobicContact CB-CB 4.4Å; K311-R313 PolarHBondContact O-N 2.99Å
312	F	28.5	Very low	34.8	Very low	213 Å²	213	136.7 Å²	136.7	93%	0.934	76%	0.76	S	S	*	*			trans	-61.6	75.5	153.8	-84.5	-88	0	0	0	105.8	I310 G314	I310-F312 PolarHBondContact O-N 2.92Å; F312-G314 PolarHBondContact O-N 3.24Å; F312-G314 VanDerWaalsContact O-N 3.17Å
313	R	24	Very low	32.7	Very low	227 Å²	227	140.4 Å²	140.4	86%	0.857	76%	0.764	S	S	*	*			trans	-85.8	59	163.3	-153.8	179.4	-174.8	178.7	0.8	105.4	K311 S315	K311-R313 HydrophobicContact CB-CB 4.4Å; K311-R313 PolarHBondContact O-N 2.99Å; R313-S315 PolarHBondContact O-N 2.93Å; R313-S315 VanDerWaalsContact O-N 3.13Å
314	G	27.4	Very low	31.8	Very low	71 Å²	71	139.3 Å²	139.3	73%	0.732	77%	0.773	S	S	*	*			trans	-79.9	78.7	164.4	0	0	0	0	0	107.3	F312 G316	F312-G314 PolarHBondContact O-N 3.24Å; F312-G314 VanDerWaalsContact O-N 3.17Å; G314-G316 PolarHBondContact O-N 3.5Å
315	S	25.8	Very low	31	Very low	122 Å²	122	141.3 Å²	141.3	85%	0.853	77%	0.772	S	S	*	*			trans	-63.2	113.4	159.4	175.3	0	0	0	0	107.4	R313	R313-S315 PolarHBondContact O-N 2.93Å; R313-S315 VanDerWaalsContact O-N 3.13Å
316	G	26.6	Very low	30.6	Very low	55 Å²	55	143 Å²	143	57%	0.567	77%	0.773	S	S	*	*			trans	151.9	104.6	164.8	0	0	0	0	0	116.1	G314	G314-G316 PolarHBondContact O-N 3.5Å
317	H	29.5	Very low	30.6	Very low	183 Å²	183	146.7 Å²	146.7	85%	0.847	79%	0.786	S	S	*	*			trans	78.6	91.7	143.8	-60.8	84.9	0	0	0	118.9	R319	H317-R319 PolarHBondContact O-N 2.93Å
318	N	26.5	Very low	30.9	Very low	161 Å²	161	150.1 Å²	150.1	86%	0.861	80%	0.796	S	S	*	*				1.9	108	127.6	-70.6	-24.1	0	0	0	115.3
319	R	29.3	Very low	31.1	Very low	243 Å²	243	151.9 Å²	151.9	92%	0.917	80%	0.798	S	S	*	*			trans	-129.8	110.8	136.1	-75.8	-169.6	177.8	174.7	-0.2	108.7	H317 G321	H317-R319 PolarHBondContact O-N 2.93Å; R319-G321 PolarHBondContact O-N 3.19Å
320	S	29.8	Very low	31.1	Very low	126 Å²	126	150.7 Å²	150.7	88%	0.881	79%	0.792	S	S	*	*			trans	-50.2	116.8	165.2	48.5	0	0	0	0	110.5
321	G	32.2	Very low	31.4	Very low	73 Å²	73	153.8 Å²	153.8	75%	0.753	80%	0.8	S	S	*	*			trans	-154.1	81	176.7	0	0	0	0	0	110.5	R319	R319-G321 PolarHBondContact O-N 3.19Å
322	R	32.3	Very low	31.4	Very low	244 Å²	244	152.1 Å²	152.1	92%	0.921	80%	0.8	S	S	*	*			trans	39.6	99.2	154.9	-152.7	171.2	-171.2	174.7	1.2	118	S324	R322-S324 PolarHBondContact O-N 3.37Å
323	R	28.8	Very low	31.4	Very low	197 Å²	197	153.7 Å²	153.7	74%	0.743	80%	0.8	S	S	*	*			trans	-34.8	123.1	149.1	-100.5	179.1	171	-179.5	-161.6	112.1	K325	R323-K325 HydrophobicContact CG-CG 4.46Å; R323-K325 VanDerWaalsContact NE-CE 3.31Å
324	S	36.5	Very low	31.6	Very low	123 Å²	123	147.6 Å²	147.6	86%	0.86	79%	0.792	S	S	*	*			trans	-122.5	113.4	132.8	-96.2	0	0	0	0	107.9	R322	R322-S324 PolarHBondContact O-N 3.37Å
325	K	35.1	Very low	31.6	Very low	158 Å²	158	151.9 Å²	151.9	69%	0.687	80%	0.797	S	S	*	*			trans	-73.2	125.8	174.9	-61.4	171.2	178.9	174.2	0	107.8	R323	R323-K325 HydrophobicContact CG-CG 4.46Å; R323-K325 VanDerWaalsContact NE-CE 3.31Å
326	S	40.5	Very low	31.7	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	79%	0.793	S	S	*	*			trans	-119.1	139.4	157.7	-175.3	0	0	0	0	108.9	T328	S326-T328 PolarHBondContact O-N 3.25Å
327	L	34.3	Very low	31.6	Very low	148 Å²	148	157.3 Å²	157.3	78%	0.775	80%	0.804	S	S	*	*	S	Bend	trans	-76.8	64.7	-152.6	-73.3	153.8	0	0	0	114.8
328	T	41.4	Very low	31.4	Very low	125 Å²	125	157.3 Å²	157.3	77%	0.767	80%	0.804	S	S	*	*			trans	-95.1	6.9	174.2	50.5	0	0	0	0	115	S326	S326-T328 PolarHBondContact O-N 3.25Å
329	N	34.8	Very low	31.5	Very low	136 Å²	136	155.2 Å²	155.2	73%	0.727	80%	0.802	S	S	*	*			trans	-98.8	14.8	-179.6	-80.1	-9.4	0	0	0	115.6
330	L	32.3	Very low	31.4	Very low	137 Å²	137	151.1 Å²	151.1	72%	0.717	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-3	177.6	-75.9	174.8	0	0	0	115.5
331	F	35.6	Very low	31.1	Very low	203 Å²	203	151.2 Å²	151.2	89%	0.89	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	33.6	174.1	-65.6	-71.8	0	0	0	113.7
332	N	27.9	Very low	31	Very low	142 Å²	142	153.5 Å²	153.5	76%	0.759	80%	0.795	S	S	*	*			trans	-117.1	85.9	160.6	-88.6	-22.3	0	0	0	109.3
333	R	27.9	Very low	30.7	Very low	245 Å²	245	148.2 Å²	148.2	93%	0.925	79%	0.79	S	S	*	*			trans	-156.2	129.7	148.1	-139.1	177	-168.3	-145.1	1.5	112.9
334	S	29.6	Very low	30.5	Very low	99 Å²	99	149.6 Å²	149.6	69%	0.692	80%	0.795	S	S	*	*			trans	98.7	86.4	153.5	-165.1	0	0	0	0	117.9
335	L	27.5	Very low	30	Very low	161 Å²	161	155.2 Å²	155.2	84%	0.843	80%	0.798	S	S	*	*				42.2	103.6	113.9	-67.6	156.3	0	0	0	116.7
336	S	26.6	Very low	29.5	Very low	110 Å²	110	156.9 Å²	156.9	77%	0.769	81%	0.808	S	S	*	*				159.3	149.4	125.9	53.8	0	0	0	0	109.8
337	K	25.4	Very low	28.9	Very low	181 Å²	181	155.5 Å²	155.5	79%	0.787	81%	0.81	S	S	*	*			trans	90	91.6	171	-53.9	179.8	-179.8	-178.3	0	116.1	S339	K337-S339 PolarHBondContact O-N 2.96Å
338	E	25.2	Very low	28.4	Very low	183 Å²	183	153.9 Å²	153.9	86%	0.855	81%	0.812	S	S	*	*				46.9	73.2	118.4	-64.1	168.5	-176.8	0	0	115	I340	E338-I340 PolarHBondContact O-N 2.93Å; E338-I340 VanDerWaalsContact O-N 3.1Å
339	S	29.4	Very low	27.7	Very low	118 Å²	118	155.4 Å²	155.4	83%	0.825	81%	0.813	S	S	*	*			trans	-75.6	98.8	163.9	59.1	0	0	0	0	109.1	K337 T341	K337-S339 PolarHBondContact O-N 2.96Å; S339-T341 PolarHBondContact O-N 3.39Å
340	I	26.7	Very low	27.4	Very low	157 Å²	157	154.8 Å²	154.8	81%	0.805	82%	0.815	S	S	*	*			trans	-27.2	118.8	169.4	-62.7	161.7	0	0	0	112.5	E338 C342	E338-I340 PolarHBondContact O-N 2.93Å; E338-I340 VanDerWaalsContact O-N 3.1Å; I340-C342 PolarHBondContact O-N 3.49Å
341	T	23.8	Very low	27.2	Very low	128 Å²	128	156.5 Å²	156.5	79%	0.785	82%	0.819	S	S	*	*			trans	-63.8	105.3	168.4	43	0	0	0	0	110.2	S339 V343	S339-T341 PolarHBondContact O-N 3.39Å; T341-V343 PolarHBondContact O-N 3.45Å
342	C	29.9	Very low	26.7	Very low	120 Å²	120	158.4 Å²	158.4	81%	0.811	82%	0.82	S	S	*	*			trans	-77.4	112.1	164.3	56.4	0	0	0	0	109.3	I340 R344	I340-C342 PolarHBondContact O-N 3.49Å; C342-R344 PolarHBondContact O-N 3.23Å
343	V	25.1	Very low	26.7	Very low	134 Å²	134	154.9 Å²	154.9	81%	0.812	82%	0.818	S	S	*	*			trans	-64.3	114.2	176.9	175.5	0	0	0	0	109.5	T341 R345	T341-V343 PolarHBondContact O-N 3.45Å; V343-R345 PolarHBondContact O-N 2.82Å
344	R	24.9	Very low	26.9	Very low	225 Å²	225	150.3 Å²	150.3	85%	0.849	81%	0.81	S	S	*	*			trans	-69.8	110.5	171.3	174.8	-179.3	-87.9	160.2	-7.6	108.8	C342 Q346	C342-R344 PolarHBondContact O-N 3.23Å; R344-Q346 PolarHBondContact O-N 3.36Å
345	R	26.6	Very low	26.9	Very low	242 Å²	242	152 Å²	152	91%	0.913	82%	0.816	S	S	*	*			trans	-68.8	119.6	161.5	-81.4	-168.2	-173.7	-164.1	2.9	108.5	V343 G347	V343-R345 PolarHBondContact O-N 2.82Å; R345-G347 PolarHBondContact O-N 2.92Å
346	Q	23.1	Very low	26.9	Very low	193 Å²	193	155.8 Å²	155.8	90%	0.902	82%	0.819	S	S	*	*			trans	-71.1	112.7	169.3	-71.7	170.8	-25.1	0	0	108.2	R344	R344-Q346 PolarHBondContact O-N 3.36Å
347	G	28.1	Very low	27	Very low	78 Å²	78	153.4 Å²	153.4	80%	0.804	81%	0.812	S	S	*	*			trans	-136.2	121.4	168.6	0	0	0	0	0	107	R345	R345-G347 PolarHBondContact O-N 2.92Å
348	S	23.5	Very low	27	Very low	115 Å²	115	155 Å²	155	80%	0.804	82%	0.819	S	S	*	*			trans	-84.5	167	-160.2	-175.1	0	0	0	0	113.9
349	I	28.6	Very low	27	Very low	156 Å²	156	153.7 Å²	153.7	80%	0.8	82%	0.815	S	S	*	*			trans	101.1	127	161.8	-52.3	173.1	0	0	0	116
350	T	28	Very low	26.8	Very low	124 Å²	124	157.6 Å²	157.6	76%	0.761	82%	0.817	S	S	*	*			trans	-78.4	113.1	-158	46.9	0	0	0	0	114.3	R352	T350-R352 PolarHBondContact O-N 3.22Å
351	E	28.6	Very low	26.9	Very low	173 Å²	173	156.2 Å²	156.2	81%	0.808	82%	0.816	S	S	*	*			trans	-78	97.7	157.6	-84.3	-175	151.1	0	0	109.6	S306	S306-E351 PolarHBondContact OG-OE2 3.33Å
352	R	25.2	Very low	27	Very low	242 Å²	242	158.4 Å²	158.4	91%	0.913	82%	0.817	S	S	*	*			trans	-117.5	115.8	158	-81.8	-171.3	-170	168.3	4.9	108.2	T350	T350-R352 PolarHBondContact O-N 3.22Å
353	G	27.6	Very low	26.8	Very low	69 Å²	69	161.4 Å²	161.4	71%	0.711	82%	0.819	S	S	*	*			trans	149	45.4	166.6	0	0	0	0	0	116.2	V355	G353-V355 PolarHBondContact O-N 3.46Å
354	I	30.7	Very low	26.9	Very low	148 Å²	148	160.5 Å²	160.5	76%	0.759	81%	0.814	S	S	*	*			trans	-79.7	89.7	169.9	-59	176.7	0	0	0	108.4
355	V	31	Very low	27	Very low	135 Å²	135	153.2 Å²	153.2	82%	0.818	80%	0.796	S	S	*	*			trans	-73.5	119.3	159.8	176.1	0	0	0	0	107.3	G353 G357	G353-V355 PolarHBondContact O-N 3.46Å; V355-G357 VanDerWaalsContact C-N 3.31Å; V355-G357 PolarHBondContact O-N 3.35Å
356	R	26.3	Very low	27.5	Very low	240 Å²	240	147 Å²	147	91%	0.906	78%	0.777	S	S	*	*			trans	-65.8	82.9	175.8	-75.5	178.4	174.9	-173.2	-1.8	110.8
357	G	28.4	Very low	28	Very low	61 Å²	61	142.7 Å²	142.7	63%	0.629	77%	0.768	S	S	*	*			trans	-87.1	106.8	160.2	0	0	0	0	0	109.5	V355 M359	V355-G357 VanDerWaalsContact C-N 3.31Å; V355-G357 PolarHBondContact O-N 3.35Å; G357-M359 PolarHBondContact O-N 2.94Å
358	K	26.7	Very low	28.1	Very low	214 Å²	214	142.1 Å²	142.1	93%	0.93	75%	0.749	S	S	*	*			trans	-65.9	87.1	165.6	-74.2	-179.8	178.2	177.1	0	107.8	K360	K358-K360 PolarHBondContact O-N 3.05Å; K358-K360 VanDerWaalsContact O-N 3.11Å
359	M	25.7	Very low	28.6	Very low	155 Å²	155	141.3 Å²	141.3	76%	0.764	73%	0.731	S	S	*	*			trans	-66.3	111.5	170	-72.3	-172	93.2	0	0	108.1	G357 V361	G357-M359 PolarHBondContact O-N 2.94Å; M359-V361 PolarHBondContact O-N 2.99Å
360	K	23.8	Very low	28.8	Very low	201 Å²	201	134.9 Å²	134.9	87%	0.874	70%	0.699	S	S	*	*			trans	-60	114.2	163.1	-93.7	177.2	173.5	174.9	0	106.7	K358 E362	K358-K360 PolarHBondContact O-N 3.05Å; K358-K360 VanDerWaalsContact O-N 3.11Å; K360-E362 VanDerWaalsContact C-N 3.34Å; K360-E362 PolarHBondContact O-N 3.38Å
361	V	29.4	Very low	29.4	Very low	128 Å²	128	131.8 Å²	131.8	78%	0.776	68%	0.678	S	S	*	*			trans	-70	95.2	169.3	179.8	0	0	0	0	106.7	M359 Q363	M359-V361 PolarHBondContact O-N 2.99Å; V361-Q363 PolarHBondContact O-N 3.17Å
362	E	26.3	Very low	29.9	Very low	173 Å²	173	124.4 Å²	124.4	81%	0.808	64%	0.644	S	S	*	*			trans	-61.6	126.6	161.8	-88.5	-177.1	146.8	0	0	108.1	K360 T364	K360-E362 VanDerWaalsContact C-N 3.34Å; K360-E362 PolarHBondContact O-N 3.38Å; E362-T364 PolarHBondContact O-N 3.05Å
363	Q	25.8	Very low	30.6	Very low	184 Å²	184	118.2 Å²	118.2	86%	0.86	63%	0.625	S	S	*	*			trans	-68.9	95.8	176.8	-66	171.6	-3.5	0	0	108	V361 P365	V361-Q363 PolarHBondContact O-N 3.17Å; Q363-P365 VanDerWaalsContact O-CD 3.31Å; Q363-P365 WeakPolarHBondContact O-CD 3.24Å
364	T	26	Very low	31.2	Very low	115 Å²	115	119.7 Å²	119.7	71%	0.706	62%	0.62	S	S	*	*			trans	-64.6	117.1	170.1	49.4	0	0	0	0	108.4	E362 E366	E362-T364 PolarHBondContact O-N 3.05Å; T364-E366 PolarHBondContact O-N 3.34Å
365	P	28	Very low	32.1	Very low	71 Å²	71	115.8 Å²	115.8	46%	0.461	60%	0.601	S	S	.	*			trans	-76.7	110.9	-175	28.9	-30.3	0	0	0	110.5	Q363 V368	Q363-P365 VanDerWaalsContact O-CD 3.31Å; Q363-P365 WeakPolarHBondContact O-CD 3.24Å; P365-V368 WeakPolarHBondContact O-CG2 3.22Å
366	E	36.4	Very low	33.5	Very low	113 Å²	113	113.8 Å²	113.8	53%	0.528	60%	0.599	S	S	.	*	S	Bend	trans	63.1	156.3	168.3	-63.5	-179.4	178.5	0	0	115.2	T364 V368	T364-E366 PolarHBondContact O-N 3.34Å; E366-V368 PolarHBondContact O-N 2.88Å
367	S	33.9	Very low	35.6	Very low	102 Å²	102	103.5 Å²	103.5	71%	0.713	56%	0.561	S	S	*	*			trans	-65.5	73.5	166.6	57.6	0	0	0	0	107.8	F369	S367-F369 PolarHBondContact O-N 2.92Å
368	V	29.8	Very low	38	Very low	65 Å²	65	104.7 Å²	104.7	39%	0.394	55%	0.553	S	S	.	*			trans	-52.4	121	157.3	-177.2	0	0	0	0	103.7	P365 E366 T370	P365-V368 WeakPolarHBondContact O-CG2 3.22Å; E366-V368 PolarHBondContact O-N 2.88Å; V368-T370 HydrophobicContact CB-CG2 4.02Å; V368-T370 HydrophobicContact CG1-CG2 3.48Å; V368-T370 VanDerWaalsContact CG1-CG2 3.48Å; V368-T370 PolarHBondContact O-N 3.07Å
369	F	34.6	Very low	40.6	Very low	99 Å²	99	98.3 Å²	98.3	43%	0.434	53%	0.533	S	S	.	.			trans	-70.7	72.1	166.2	-160.2	-87.4	0	0	0	106.2	Y159 S367 L371	Y159-F369 HydrophobicContact CE2-CE1 4.02Å; Y159-F369 AromaticContact CE2-CZ 3.5Å; Y159-F369 HydrophobicContact CE2-CZ 3.5Å; Y159-F369 VanDerWaalsContact CE2-CZ 3.5Å; Y159-F369 AromaticContact CZ-CZ 3.77Å; Y159-F369 VanDerWaalsContact OH-CE1 3.28Å; Y159-F369 WeakPolarHBondContact OH-CE1 3.46Å; Y159-F369 VanDerWaalsContact OH-CZ 3.22Å; Y159-F369 WeakPolarHBondContact OH-CZ 3.17Å; S367-F369 PolarHBondContact O-N 2.92Å; F369-L371 PolarHBondContact O-N 3.2Å
370	T	33.6	Very low	43.5	Very low	21 Å²	21	98.2 Å²	98.2	13%	0.129	53%	0.531	C	S	.	.			trans	-72.6	119.5	161.7	52.1	0	0	0	0	104.4	I176 V368 D372 Q373	I176-T370 HydrophobicContact CG2-CG2 4.03Å; V368-T370 HydrophobicContact CB-CG2 4.02Å; V368-T370 HydrophobicContact CG1-CG2 3.48Å; V368-T370 VanDerWaalsContact CG1-CG2 3.48Å; V368-T370 PolarHBondContact O-N 3.07Å; T370-D372 WeakPolarHBondContact CB-OD2 3.45Å; T370-D372 PolarHBondContact O-N 3.34Å; T370-Q373 PolarHBondContact O-N 2.97Å
371	L	39.1	Very low	46.5	Very low	59 Å²	59	88.8 Å²	88.8	31%	0.309	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-1.9	164.8	-162.1	73.1	0	0	0	113.5	I163 A170 A173 A174 F369	I163-L371 HydrophobicContact CD1-CD1 4.32Å; A170-L371 WeakPolarHBondContact O-CD2 3.13Å; A173-L371 HydrophobicContact CB-CB 3.21Å; A173-L371 HydrophobicContact CB-CD2 4.21Å; A173-L371 HydrophobicContact CB-CG 4.33Å; A174-L371 HydrophobicContact CB-CD2 4.28Å; F369-L371 PolarHBondContact O-N 3.2Å
372	D	38.9	Very low	49.5	Very low	18 Å²	18	84.6 Å²	84.6	10%	0.096	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-19.3	-162.3	-46.9	-22.1	0	0	0	113.6	I176 A177 I180 T370 V374	I176-D372 WeakPolarHBondContact CB-OD2 3.38Å; I176-D372 WeakPolarHBondContact CG2-OD2 3.33Å; A177-D372 WeakPolarHBondContact CA-OD1 3.14Å; A177-D372 VanDerWaalsContact CA-OD2 3.28Å; A177-D372 WeakPolarHBondContact CA-OD2 3.44Å; A177-D372 HydrophobicContact CB-CB 3.42Å; A177-D372 VanDerWaalsContact CB-CB 3.42Å; A177-D372 WeakPolarHBondContact CB-OD1 3.19Å; A177-D372 PolarHBondContact N-OD1 2.88Å; A177-D372 PolarHBondContact N-OD2 2.79Å; I180-D372 HydrophobicContact CD1-CB 4.43Å; T370-D372 WeakPolarHBondContact CB-OD2 3.45Å; T370-D372 PolarHBondContact O-N 3.34Å; D372-V374 PolarHBondContact O-N 2.85Å; D372-V374 VanDerWaalsContact O-N 3.12Å
373	Q	41.3	Very low	52.5	Low	112 Å²	112	76.8 Å²	76.8	52%	0.523	43%	0.429	S	S	.	.	S	Bend	trans	-88.8	79.8	167.9	-72.3	-174	6.1	0	0	107	T370 D375	T370-Q373 PolarHBondContact O-N 2.97Å; Q373-D375 PolarHBondContact O-N 3.49Å
374	V	40	Very low	55.8	Low	100 Å²	100	69.4 Å²	69.4	61%	0.606	40%	0.396	S	S	*	.			trans	-50.7	75.5	172.1	-168.4	0	0	0	0	110.5	D372 A376	D372-V374 PolarHBondContact O-N 2.85Å; D372-V374 VanDerWaalsContact O-N 3.12Å; V374-A376 HydrophobicContact CG1-CB 4.18Å
375	D	49.9	Very low	59.1	Low	65 Å²	65	64.1 Å²	64.1	35%	0.348	36%	0.363	S	S	.	.				-72.5	112.4	125.7	-65.4	-32.3	0	0	0	103.3	S288 Q289 Q373 I377	S288-D375 WeakPolarHBondContact CB-OD2 3.36Å; S288-D375 WeakPolarHBondContact OG-CB 3.45Å; S288-D375 PolarHBondContact OG-OD2 3.14Å; Q289-D375 WeakPolarHBondContact CG-OD2 3.5Å; Q289-D375 PolarHBondContact N-OD2 3.07Å; Q373-D375 PolarHBondContact O-N 3.49Å; D375-I377 HydrophobicContact CB-CG1 4.22Å; D375-I377 PolarHBondContact O-N 2.95Å
376	A	59.2	Low	62.4	Low	94 Å²	94	60.8 Å²	60.8	78%	0.777	34%	0.342	S	S	*	.			trans	-65.7	77.9	169.4	0	0	0	0	0	107.1	V374 D378	V374-A376 HydrophobicContact CG1-CB 4.18Å; A376-D378 PolarHBondContact O-N 3.39Å
377	I	70.3	Confident	65.3	Low	23 Å²	23	55.4 Å²	55.4	12%	0.118	32%	0.317	C	S	.	.			trans	-64.7	120.5	170.9	-60.8	172.9	0	0	0	104.6	Y159 D375 T381	Y159-I377 HydrophobicContact CD1-CB 3.79Å; Y159-I377 HydrophobicContact CD1-CG2 3.6Å; Y159-I377 HydrophobicContact CD2-CG2 4.2Å; Y159-I377 HydrophobicContact CE1-CB 3.86Å; Y159-I377 HydrophobicContact CE1-CG2 4.17Å; Y159-I377 HydrophobicContact CE2-CD1 4.27Å; Y159-I377 HydrophobicContact CG-CB 4.25Å; Y159-I377 HydrophobicContact CG-CG2 3.62Å; D375-I377 HydrophobicContact CB-CG1 4.22Å; D375-I377 PolarHBondContact O-N 2.95Å; I377-T381 HydrophobicContact CG2-CG2 3.97Å; I377-T381 WeakPolarHBondContact CG2-OG1 3.48Å
378	D	79.4	Confident	68.4	Low	87 Å²	87	53.6 Å²	53.6	47%	0.465	30%	0.297	S	S	.	.			trans	-54	129.2	176.5	-176.6	-19.7	0	0	0	108.6	A376 E380 T381	A376-D378 PolarHBondContact O-N 3.39Å; D378-E380 PolarHBondContact O-N 2.92Å; D378-E380 PolarHBondContact OD1-N 3.09Å; D378-T381 WeakPolarHBondContact CB-OG1 3.11Å; D378-T381 PolarHBondContact N-OG1 3.12Å; D378-T381 WeakPolarHBondContact O-CB 3.49Å; D378-T381 PolarHBondContact O-N 2.74Å; D378-T381 PolarHBondContact O-OG1 2.99Å
379	P	80.7	Confident	71.5	Confident	79 Å²	79	51.1 Å²	51.1	51%	0.513	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-24.9	175.9	22.5	-35.6	0	0	0	113.8	P158 Y159 G160 T381	P158-P379 CarbonylContact C-O 3.58Å; P158-P379 WeakPolarHBondContact CB-O 3.37Å; Y159-P379 PolarHBondContact N-O 3.08Å; Y159-P379 VanDerWaalsContact N-O 3.14Å; G160-P379 PolarHBondContact N-O 2.86Å; P379-T381 VanDerWaalsContact C-N 3.26Å; P379-T381 PolarHBondContact O-N 3.36Å
380	E	86.6	Confident	74.4	Confident	153 Å²	153	50.5 Å²	50.5	72%	0.715	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.3	176.3	-62.9	-173.1	178.9	0	0	113.6	D378 V382	D378-E380 PolarHBondContact O-N 2.92Å; D378-E380 PolarHBondContact OD1-N 3.09Å; E380-V382 PolarHBondContact O-N 3.22Å
381	T	88.2	Confident	77.2	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	30%	0.299	C	S	.	.			trans	-64.1	133.3	-175.6	-56.7	0	0	0	0	111.4	P158 Y159 F284 I377 D378 P379 R402 S403 D404	P158-T381 CarbonylContact C-O 3.55Å; P158-T381 WeakPolarHBondContact CA-O 3.37Å; Y159-T381 PolarHBondContact N-O 2.96Å; F284-T381 HydrophobicContact CE1-CG2 4.19Å; F284-T381 WeakPolarHBondContact CZ-O 3.37Å; I377-T381 HydrophobicContact CG2-CG2 3.97Å; I377-T381 WeakPolarHBondContact CG2-OG1 3.48Å; D378-T381 WeakPolarHBondContact CB-OG1 3.11Å; D378-T381 PolarHBondContact N-OG1 3.12Å; D378-T381 WeakPolarHBondContact O-CB 3.49Å; D378-T381 PolarHBondContact O-N 2.74Å; D378-T381 PolarHBondContact O-OG1 2.99Å; P379-T381 VanDerWaalsContact C-N 3.26Å; P379-T381 PolarHBondContact O-N 3.36Å; T381-R402 HydrophobicContact CG2-CG 3.28Å; T381-S403 VanDerWaalsContact CA-OG 3.25Å; T381-S403 WeakPolarHBondContact CA-OG 3.35Å; T381-D404 HydrophobicContact CG2-CB 4.17Å
382	V	90.9	Very high	79.7	Confident	41 Å²	41	52.8 Å²	52.8	25%	0.248	30%	0.3	C	S	.	.			trans	-122	149.7	174.2	-65.6	0	0	0	0	111.1	P158 E380 R402 S403	P158-V382 HydrophobicContact CB-CG1 4.46Å; P158-V382 HydrophobicContact CG-CG1 4.17Å; E380-V382 PolarHBondContact O-N 3.22Å; V382-R402 CarbonylContact O-C 3.54Å; V382-R402 VanDerWaalsContact O-CA 3.31Å; V382-R402 WeakPolarHBondContact O-CA 3.19Å; V382-S403 PolarHBondContact N-OG 3.03Å; V382-S403 PolarHBondContact O-N 2.61Å
383	E	90.6	Very high	82.2	Confident	9 Å²	9	53.2 Å²	53.2	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.5	172.8	-177.3	175.4	133.9	0	0	109.8	T155 S156 F284 V285 L286 R394 C400 E401	T155-E383 WeakPolarHBondContact CA-O 3.34Å; S156-E383 PolarHBondContact N-O 2.71Å; S156-E383 PolarHBondContact OG-N 2.97Å; S156-E383 PolarHBondContact OG-O 3.24Å; F284-E383 VanDerWaalsContact CA-OE2 3.24Å; F284-E383 WeakPolarHBondContact CA-OE2 3.34Å; F284-E383 HydrophobicContact CD1-CB 3.67Å; F284-E383 HydrophobicContact CE1-CB 3.73Å; F284-E383 HydrophobicContact CG-CB 4.42Å; V285-E383 PolarHBondContact N-OE1 3.24Å; V285-E383 PolarHBondContact N-OE2 3.45Å; L286-E383 PolarHBondContact N-OE2 3.47Å; L286-E383 VanDerWaalsContact N-OE2 3.09Å; E383-R394 IonicContact OE1-CZ 3.87Å; E383-R394 IonicContact OE1-NH1 3.63Å; E383-R394 PolarHBondContact OE1-NH1 3.39Å; E383-C400 WeakPolarHBondContact CG-SG 3.24Å; E383-C400 PolarHBondContact OE1-SG 2.78Å; E383-E401 CarbonylContact C-O 3.52Å; E383-E401 WeakPolarHBondContact CA-O 3.31Å
384	T	94.7	Very high	84.7	Confident	29 Å²	29	48.9 Å²	48.9	18%	0.178	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.5	173.1	-62.7	0	0	0	0	110.2	V153 R154 T155 C400 E401 F479	V153-T384 HydrophobicContact CG1-CG2 3.73Å; R154-T384 CarbonylContact O-C 3.59Å; R154-T384 VanDerWaalsContact O-CA 3.24Å; R154-T384 WeakPolarHBondContact O-CA 3.31Å; T155-T384 PolarHBondContact OG1-OG1 2.85Å; T384-C400 CarbonylContact O-C 3.47Å; T384-C400 WeakPolarHBondContact O-CA 3.44Å; T384-E401 PolarHBondContact N-O 3.06Å; T384-E401 PolarHBondContact O-N 3.42Å; T384-F479 HydrophobicContact CG2-CE1 4.47Å; T384-F479 HydrophobicContact CG2-CZ 4.27Å
385	F	95.5	Very high	87.3	Confident	3 Å²	3	46.7 Å²	46.7	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.7	170.2	172.5	-93.7	0	0	0	109.9	V153 R154 W389 R394 V399 C400 W412	V153-F385 CarbonylContact C-O 3.48Å; V153-F385 VanDerWaalsContact CA-O 3.23Å; V153-F385 WeakPolarHBondContact CA-O 3.42Å; R154-F385 PolarHBondContact N-O 2.87Å; R154-F385 PolarHBondContact O-N 3.38Å; F385-W389 AromaticContact CD1-CE2 3.76Å; F385-W389 AromaticContact CD1-CZ2 3.56Å; F385-W389 HydrophobicContact CD1-CZ2 3.56Å; F385-W389 AromaticContact CD1-NE1 3.69Å; F385-W389 AromaticContact CE1-CE2 3.76Å; F385-W389 HydrophobicContact CE1-CZ2 4.01Å; F385-W389 AromaticContact CE1-NE1 3.47Å; F385-R394 HydrophobicContact CD1-CG 3.7Å; F385-R394 HydrophobicContact CD2-CG 4.04Å; F385-R394 HydrophobicContact CE1-CB 4.15Å; F385-R394 HydrophobicContact CE1-CG 3.64Å; F385-R394 HydrophobicContact CE2-CB 4.17Å; F385-R394 HydrophobicContact CE2-CG 3.99Å; F385-R394 HydrophobicContact CG-CG 3.89Å; F385-R394 HydrophobicContact CZ-CB 3.88Å; F385-R394 HydrophobicContact CZ-CG 3.78Å; F385-V399 CarbonylContact C-O 3.55Å; F385-V399 WeakPolarHBondContact CA-O 3.3Å; F385-C400 HydrophobicContact CD2-CB 4.06Å; F385-W412 HydrophobicContact CD2-CZ2 4.24Å; F385-W412 AromaticContact CE2-CD1 3.8Å; F385-W412 HydrophobicContact CE2-CD2 4.05Å; F385-W412 AromaticContact CE2-CE2 3.73Å; F385-W412 HydrophobicContact CE2-CG 4.09Å; F385-W412 HydrophobicContact CE2-CZ2 4.26Å; F385-W412 AromaticContact CE2-NE1 3.57Å
386	A	97.4	Very high	89.6	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.4	171.6	0	0	0	0	0	109.6	V153 G398 V399 A475 A478 F479	V153-A386 HydrophobicContact CG1-CB 4.5Å; V153-A386 HydrophobicContact CG2-CB 3.98Å; A386-G398 CarbonylContact O-C 3.56Å; A386-G398 VanDerWaalsContact O-CA 3.28Å; A386-G398 WeakPolarHBondContact O-CA 3.48Å; A386-V399 PolarHBondContact N-O 2.84Å; A386-V399 PolarHBondContact O-N 2.81Å; A386-A475 HydrophobicContact CB-CB 3.88Å; A386-A478 HydrophobicContact CB-CB 4.41Å; A386-F479 HydrophobicContact CB-CD2 3.86Å; A386-F479 HydrophobicContact CB-CE1 4.47Å; A386-F479 HydrophobicContact CB-CE2 3.43Å; A386-F479 VanDerWaalsContact CB-CE2 3.43Å; A386-F479 HydrophobicContact CB-CZ 3.78Å
387	G	97.6	Very high	91.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.8	-143.8	172.6	0	0	0	0	0	113.6	G152 W389	G152-G387 PolarHBondContact N-O 2.9Å; G152-G387 PolarHBondContact O-N 3.44Å; G152-G387 VanDerWaalsContact O-N 3.11Å; G387-W389 VanDerWaalsContact O-CD1 3.26Å
388	Q	97.5	Very high	92.7	Very high	65 Å²	65	40.6 Å²	40.6	30%	0.304	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.8	-171.8	-77.1	171.4	-32.6	0	0	113.7	G150 L151 H395 Y397 I474	G150-Q388 CarbonylContact O-C 3.43Å; G150-Q388 WeakPolarHBondContact O-CA 3.34Å; L151-Q388 HydrophobicContact CD2-CG 3.82Å; Q388-H395 CarbonylContact C-O 3.5Å; Q388-H395 WeakPolarHBondContact CB-O 3.38Å; Q388-H395 PolarHBondContact O-N 3.35Å; Q388-Y397 PolarHBondContact N-O 3.37Å; Q388-Y397 VanDerWaalsContact N-O 3.08Å; Q388-I474 HydrophobicContact CG-CG2 3.89Å
389	W	96.5	Very high	93.6	Very high	13 Å²	13	37.3 Å²	37.3	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.6	178.1	-66.6	80	0	0	0	109.6	Y139 R148 E149 G150 G152 R154 F385 G387 S393 R394	Y139-W389 HydrophobicContact CD2-CH2 4.47Å; Y139-W389 AromaticContact CD2-CZ2 3.98Å; Y139-W389 HydrophobicContact CD2-CZ2 3.98Å; Y139-W389 AromaticContact CE2-CD1 3.89Å; Y139-W389 AromaticContact CE2-CD2 3.89Å; Y139-W389 HydrophobicContact CE2-CD2 3.89Å; Y139-W389 AromaticContact CE2-CE2 3.5Å; Y139-W389 HydrophobicContact CE2-CG 4.15Å; Y139-W389 AromaticContact CE2-CZ2 3.89Å; Y139-W389 HydrophobicContact CE2-CZ2 3.89Å; Y139-W389 AromaticContact CE2-NE1 3.51Å; R148-W389 HydrophobicContact CB-CB 4.47Å; R148-W389 HydrophobicContact CB-CE3 4.25Å; E149-W389 CarbonylContact C-O 3.56Å; E149-W389 WeakPolarHBondContact CA-O 3.47Å; G150-W389 PolarHBondContact N-O 2.91Å; G150-W389 PolarHBondContact O-N 3.44Å; G152-W389 PolarHBondContact O-NE1 3.26Å; G152-W389 VanDerWaalsContact O-NE1 3.1Å; R154-W389 HydrophobicContact CB-CH2 3.86Å; R154-W389 HydrophobicContact CB-CZ2 3.54Å; R154-W389 HydrophobicContact CG-CH2 4.23Å; R154-W389 HydrophobicContact CG-CZ2 4.41Å; F385-W389 AromaticContact CD1-CE2 3.76Å; F385-W389 AromaticContact CD1-CZ2 3.56Å; F385-W389 HydrophobicContact CD1-CZ2 3.56Å; F385-W389 AromaticContact CD1-NE1 3.69Å; F385-W389 AromaticContact CE1-CE2 3.76Å; F385-W389 HydrophobicContact CE1-CZ2 4.01Å; F385-W389 AromaticContact CE1-NE1 3.47Å; G387-W389 VanDerWaalsContact O-CD1 3.26Å; W389-S393 WeakPolarHBondContact CA-O 3.28Å; W389-R394 HydrophobicContact CH2-CG 4.07Å; W389-R394 HydrophobicContact CZ2-CG 4.19Å; W389-R394 HydrophobicContact CZ3-CG 4.35Å
390	E	95.1	Very high	94.3	Very high	86 Å²	86	33.5 Å²	33.5	40%	0.402	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	125.7	172.1	-175.6	-169.2	-149	0	0	107.6	E149 D392 S393 H395	E149-E390 WeakPolarHBondContact OE2-CA 3.45Å; E390-D392 PolarHBondContact O-N 2.99Å; E390-S393 PolarHBondContact N-O 3.33Å; E390-S393 PolarHBondContact O-N 3.3Å; E390-H395 HydrophobicContact CB-CB 3.62Å; E390-H395 IonicContact OE2-CD2 2.65Å; E390-H395 IonicContact OE2-CE1 2.85Å; E390-H395 PolarHBondContact OE2-CE1 3.44Å; E390-H395 IonicContact OE2-CG 3.28Å; E390-H395 VanDerWaalsContact OE2-CG 3.27Å; E390-H395 IonicContact OE2-ND1 3.96Å; E390-H395 PolarHBondContact OE2-ND1 3.3Å; E390-H395 IonicContact OE2-NE2 3.03Å
391	A	92.7	Very high	94.7	Very high	65 Å²	65	30.8 Å²	30.8	54%	0.537	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	55.4	177.9	0	0	0	0	0	113.1	R148 E149 S393	R148-A391 PolarHBondContact O-N 2.89Å; E149-A391 PolarHBondContact OE2-N 3.1Å; A391-S393 PolarHBondContact O-N 2.89Å; A391-S393 VanDerWaalsContact O-N 3.1Å
392	D	91.3	Very high	94.9	Very high	62 Å²	62	30.8 Å²	30.8	33%	0.332	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	12.9	179.4	-82.7	-30.9	0	0	0	116	V147 R148 E390	V147-D392 HydrophobicContact CG1-CB 4.08Å; R148-D392 WeakPolarHBondContact CB-OD1 3.22Å; R148-D392 WeakPolarHBondContact CG-OD1 3.44Å; R148-D392 IonicContact CZ-OD1 3.96Å; R148-D392 PolarHBondContact N-OD1 3.45Å; R148-D392 IonicContact NE-OD1 3.74Å; R148-D392 PolarHBondContact NE-OD1 2.93Å; R148-D392 PolarHBondContact NH2-O 3.44Å; R148-D392 IonicContact NH2-OD1 3.38Å; R148-D392 PolarHBondContact NH2-OD1 3.37Å; R148-D392 PolarHBondContact O-N 3.38Å; R148-D392 VanDerWaalsContact O-N 3.08Å; E390-D392 PolarHBondContact O-N 2.99Å
393	S	91.1	Very high	94.9	Very high	28 Å²	28	32.3 Å²	32.3	20%	0.196	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.4	-179.9	-61.9	0	0	0	0	112	W389 E390 A391 H395 N415	W389-S393 WeakPolarHBondContact CA-O 3.28Å; E390-S393 PolarHBondContact N-O 3.33Å; E390-S393 PolarHBondContact O-N 3.3Å; A391-S393 PolarHBondContact O-N 2.89Å; A391-S393 VanDerWaalsContact O-N 3.1Å; S393-H395 PolarHBondContact O-N 2.97Å; S393-N415 PolarHBondContact OG-ND2 2.88Å
394	R	93.7	Very high	94.8	Very high	20 Å²	20	34.2 Å²	34.2	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	122.4	166.2	-63	172.9	-89.1	-156.4	-21.2	108.8	E383 F385 W389 W412 K414 N415	E383-R394 IonicContact OE1-CZ 3.87Å; E383-R394 IonicContact OE1-NH1 3.63Å; E383-R394 PolarHBondContact OE1-NH1 3.39Å; F385-R394 HydrophobicContact CD1-CG 3.7Å; F385-R394 HydrophobicContact CD2-CG 4.04Å; F385-R394 HydrophobicContact CE1-CB 4.15Å; F385-R394 HydrophobicContact CE1-CG 3.64Å; F385-R394 HydrophobicContact CE2-CB 4.17Å; F385-R394 HydrophobicContact CE2-CG 3.99Å; F385-R394 HydrophobicContact CG-CG 3.89Å; F385-R394 HydrophobicContact CZ-CB 3.88Å; F385-R394 HydrophobicContact CZ-CG 3.78Å; W389-R394 HydrophobicContact CH2-CG 4.07Å; W389-R394 HydrophobicContact CZ2-CG 4.19Å; W389-R394 HydrophobicContact CZ3-CG 4.35Å; R394-W412 HydrophobicContact CB-CB 4.29Å; R394-W412 HydrophobicContact CB-CD2 4.28Å; R394-W412 HydrophobicContact CB-CE3 4.03Å; R394-W412 HydrophobicContact CB-CG 4.41Å; R394-K414 PolarHBondContact O-N 2.85Å; R394-N415 WeakPolarHBondContact CB-OD1 3.43Å; R394-N415 WeakPolarHBondContact CG-OD1 3.39Å; R394-N415 PolarHBondContact N-OD1 3.15Å; R394-N415 PolarHBondContact NE-OD1 3.42Å; R394-N415 VanDerWaalsContact NE-OD1 3.11Å; R394-N415 PolarHBondContact O-N 2.88Å
395	H	94.9	Very high	94.6	Very high	55 Å²	55	34.1 Å²	34.1	26%	0.255	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.2	-178.2	-162.1	101.3	0	0	0	109.7	Q388 E390 S393 Y397 W412	Q388-H395 CarbonylContact C-O 3.5Å; Q388-H395 WeakPolarHBondContact CB-O 3.38Å; Q388-H395 PolarHBondContact O-N 3.35Å; E390-H395 HydrophobicContact CB-CB 3.62Å; E390-H395 IonicContact OE2-CD2 2.65Å; E390-H395 IonicContact OE2-CE1 2.85Å; E390-H395 PolarHBondContact OE2-CE1 3.44Å; E390-H395 IonicContact OE2-CG 3.28Å; E390-H395 VanDerWaalsContact OE2-CG 3.27Å; E390-H395 IonicContact OE2-ND1 3.96Å; E390-H395 PolarHBondContact OE2-ND1 3.3Å; E390-H395 IonicContact OE2-NE2 3.03Å; S393-H395 PolarHBondContact O-N 2.97Å; H395-Y397 PolarHBondContact O-N 2.97Å; H395-W412 CarbonylContact C-O 3.42Å; H395-W412 WeakPolarHBondContact CA-O 3.35Å
396	G	97.2	Very high	94.4	Very high	14 Å²	14	34 Å²	34	14%	0.144	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-125.4	168.9	0	0	0	0	0	111.5	Q411 W412	G396-Q411 CarbonylContact O-C 3.58Å; G396-Q411 WeakPolarHBondContact O-CA 3.38Å; G396-W412 PolarHBondContact N-O 2.93Å; G396-W412 PolarHBondContact O-N 2.96Å
397	Y	98.4	Very high	94.3	Very high	39 Å²	39	35.8 Å²	35.8	15%	0.153	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147	175.1	-57.1	-95.6	0	0	0	110.7	Q388 H395 G410 Q411 A467 R470 I474	Q388-Y397 PolarHBondContact N-O 3.37Å; Q388-Y397 VanDerWaalsContact N-O 3.08Å; H395-Y397 PolarHBondContact O-N 2.97Å; Y397-G410 WeakPolarHBondContact CA-O 3.41Å; Y397-Q411 HydrophobicContact CD1-CG 3.65Å; Y397-Q411 HydrophobicContact CE1-CG 3.3Å; Y397-Q411 PolarHBondContact OH-NE2 3.47Å; Y397-A467 HydrophobicContact CE1-CB 4.18Å; Y397-R470 HydrophobicContact CD1-CB 3.89Å; Y397-R470 HydrophobicContact CE1-CB 4.19Å; Y397-R470 VanDerWaalsContact CE1-NE 3.33Å; Y397-R470 HydrophobicContact CG-CB 4.1Å; Y397-R470 PolarHBondContact OH-NE 3.06Å; Y397-R470 PolarHBondContact OH-NH2 2.89Å; Y397-I474 HydrophobicContact CD2-CD1 3.99Å; Y397-I474 HydrophobicContact CG-CD1 4.17Å; Y397-I474 WeakPolarHBondContact O-CG2 3.34Å
398	G	97.6	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	165.2	175.2	0	0	0	0	0	112.4	A386 G410 W412	A386-G398 CarbonylContact O-C 3.56Å; A386-G398 VanDerWaalsContact O-CA 3.28Å; A386-G398 WeakPolarHBondContact O-CA 3.48Å; G398-G410 PolarHBondContact N-O 2.76Å; G398-G410 PolarHBondContact O-N 3.16Å; G398-W412 PolarHBondContact O-NE1 3.19Å
399	V	97.8	Very high	94.3	Very high	18 Å²	18	33.4 Å²	33.4	11%	0.109	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.4	175.9	179.6	0	0	0	0	108.1	F385 A386 I407 Y408 E409 A471 R472 A475	F385-V399 CarbonylContact C-O 3.55Å; F385-V399 WeakPolarHBondContact CA-O 3.3Å; A386-V399 PolarHBondContact N-O 2.84Å; A386-V399 PolarHBondContact O-N 2.81Å; V399-I407 HydrophobicContact CG1-CG2 3.98Å; V399-Y408 CarbonylContact C-O 3.47Å; V399-Y408 WeakPolarHBondContact CA-O 3.43Å; V399-E409 HydrophobicContact CG1-CG 4.03Å; V399-E409 HydrophobicContact CG2-CB 4.31Å; V399-E409 HydrophobicContact CG2-CG 3.99Å; V399-A471 HydrophobicContact CG2-CB 4.3Å; V399-R472 HydrophobicContact CG2-CG 4.37Å; V399-A475 HydrophobicContact CB-CB 3.85Å; V399-A475 HydrophobicContact CG2-CB 3.65Å
400	C	96	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123	172.1	-165.8	0	0	0	0	107.3	L286 E383 T384 F385 I407 Y408 W412	L286-C400 HydrophobicContact CD1-CB 3.94Å; L286-C400 WeakPolarHBondContact CD1-O 3.38Å; L286-C400 HydrophobicContact CD2-CB 4.42Å; L286-C400 HydrophobicContact CG-CB 4.31Å; E383-C400 WeakPolarHBondContact CG-SG 3.24Å; E383-C400 PolarHBondContact OE1-SG 2.78Å; T384-C400 CarbonylContact O-C 3.47Å; T384-C400 WeakPolarHBondContact O-CA 3.44Å; F385-C400 HydrophobicContact CD2-CB 4.06Å; C400-I407 CarbonylContact O-C 3.6Å; C400-I407 WeakPolarHBondContact O-CA 3.25Å; C400-Y408 PolarHBondContact N-O 3.11Å; C400-Y408 PolarHBondContact O-N 2.74Å; C400-W412 HydrophobicContact CB-CH2 3.98Å; C400-W412 HydrophobicContact CB-CZ2 3.49Å; C400-W412 VanDerWaalsContact CB-CZ2 3.49Å
401	E	94.6	Very high	94.4	Very high	96 Å²	96	30.6 Å²	30.6	45%	0.449	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.1	-178.7	170.8	169.7	-164.9	0	0	108.5	E383 T384 I407	E383-E401 CarbonylContact C-O 3.52Å; E383-E401 WeakPolarHBondContact CA-O 3.31Å; T384-E401 PolarHBondContact N-O 3.06Å; T384-E401 PolarHBondContact O-N 3.42Å; E401-I407 HydrophobicContact CB-CG1 4.24Å; E401-I407 HydrophobicContact CG-CD1 4.48Å; E401-I407 HydrophobicContact CG-CG1 3.99Å
402	R	91.3	Very high	94.6	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.8	171.5	-170.1	169.5	65.8	167.2	8.4	108.1	F284 L286 S288 T381 V382 D404 G405 V406	F284-R402 HydrophobicContact CD1-CG 4.47Å; F284-R402 HydrophobicContact CE1-CG 4.26Å; L286-R402 HydrophobicContact CD1-CB 4.41Å; L286-R402 PolarHBondContact O-NH1 3.3Å; L286-R402 VanDerWaalsContact O-NH1 3.08Å; S288-R402 VanDerWaalsContact N-NH2 3.17Å; S288-R402 PolarHBondContact OG-NH2 3.44Å; T381-R402 HydrophobicContact CG2-CG 3.28Å; V382-R402 CarbonylContact O-C 3.54Å; V382-R402 VanDerWaalsContact O-CA 3.31Å; V382-R402 WeakPolarHBondContact O-CA 3.19Å; R402-D404 WeakPolarHBondContact CB-OD1 3.44Å; R402-D404 WeakPolarHBondContact CG-OD1 3.23Å; R402-D404 IonicContact CZ-OD1 2.83Å; R402-D404 IonicContact CZ-OD2 3.03Å; R402-D404 IonicContact NE-OD1 3.97Å; R402-D404 PolarHBondContact NE-OD1 3.23Å; R402-D404 IonicContact NE-OD2 3.77Å; R402-D404 PolarHBondContact NE-OD2 3.17Å; R402-D404 IonicContact NH2-OD1 2.68Å; R402-D404 IonicContact NH2-OD2 3.35Å; R402-D404 PolarHBondContact NH2-OD2 3.05Å; R402-D404 PolarHBondContact O-N 2.84Å; R402-G405 PolarHBondContact O-N 3.02Å; R402-V406 HydrophobicContact CB-CB 4.38Å; R402-V406 PolarHBondContact N-O 3.25Å
403	S	91.4	Very high	94.7	Very high	73 Å²	73	26.9 Å²	26.9	51%	0.51	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.7	-172.8	60.3	0	0	0	0	114.4	T381 V382 G405	T381-S403 VanDerWaalsContact CA-OG 3.25Å; T381-S403 WeakPolarHBondContact CA-OG 3.35Å; V382-S403 PolarHBondContact N-OG 3.03Å; V382-S403 PolarHBondContact O-N 2.61Å; S403-G405 PolarHBondContact O-N 2.9Å
404	D	88.2	Confident	94.7	Very high	49 Å²	49	32 Å²	32	26%	0.262	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-2.4	169.3	74.9	-26.2	0	0	0	113.8	T381 R402 V406 P426	T381-D404 HydrophobicContact CG2-CB 4.17Å; R402-D404 WeakPolarHBondContact CB-OD1 3.44Å; R402-D404 WeakPolarHBondContact CG-OD1 3.23Å; R402-D404 IonicContact CZ-OD1 2.83Å; R402-D404 IonicContact CZ-OD2 3.03Å; R402-D404 IonicContact NE-OD1 3.97Å; R402-D404 PolarHBondContact NE-OD1 3.23Å; R402-D404 IonicContact NE-OD2 3.77Å; R402-D404 PolarHBondContact NE-OD2 3.17Å; R402-D404 IonicContact NH2-OD1 2.68Å; R402-D404 IonicContact NH2-OD2 3.35Å; R402-D404 PolarHBondContact NH2-OD2 3.05Å; R402-D404 PolarHBondContact O-N 2.84Å; D404-V406 PolarHBondContact OD1-N 3.19Å; D404-V406 VanDerWaalsContact OD1-N 3.11Å; D404-P426 WeakPolarHBondContact O-CB 3.33Å
405	G	90.1	Very high	94.5	Very high	27 Å²	27	32.4 Å²	32.4	28%	0.278	17%	0.174	S	C	.	.	S	Bend	trans	95.7	4.7	178.1	0	0	0	0	0	115	R402 S403 I407	R402-G405 PolarHBondContact O-N 3.02Å; S403-G405 PolarHBondContact O-N 2.9Å; G405-I407 PolarHBondContact O-N 2.89Å
406	V	91.5	Very high	94.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.178	C	C	.	.			trans	-79.5	118.9	171.9	-178.1	0	0	0	0	110	L286 R402 D404 T423 H424 F425	L286-V406 HydrophobicContact CB-CG1 4.2Å; L286-V406 HydrophobicContact CD1-CG1 4.26Å; L286-V406 WeakPolarHBondContact CD1-O 3.2Å; R402-V406 HydrophobicContact CB-CB 4.38Å; R402-V406 PolarHBondContact N-O 3.25Å; D404-V406 PolarHBondContact OD1-N 3.19Å; D404-V406 VanDerWaalsContact OD1-N 3.11Å; V406-T423 HydrophobicContact CG1-CG2 4.12Å; V406-H424 WeakPolarHBondContact CA-O 3.23Å; V406-F425 HydrophobicContact CG2-CD1 4.37Å
407	I	95.8	Very high	94.1	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.195	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.7	-176.2	-55.6	170.1	0	0	0	109.6	V399 C400 E401 G405 E409 T423 H424	V399-I407 HydrophobicContact CG1-CG2 3.98Å; C400-I407 CarbonylContact O-C 3.6Å; C400-I407 WeakPolarHBondContact O-CA 3.25Å; E401-I407 HydrophobicContact CB-CG1 4.24Å; E401-I407 HydrophobicContact CG-CD1 4.48Å; E401-I407 HydrophobicContact CG-CG1 3.99Å; G405-I407 PolarHBondContact O-N 2.89Å; I407-E409 HydrophobicContact CG2-CG 3.97Å; I407-T423 CarbonylContact O-C 3.52Å; I407-T423 WeakPolarHBondContact O-CA 3.2Å; I407-H424 HydrophobicContact CB-CB 4.33Å; I407-H424 PolarHBondContact N-O 2.84Å; I407-H424 PolarHBondContact O-N 3.17Å
408	Y	96.4	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.5	166.9	176	-98.3	0	0	0	111.3	V399 C400 Q411 W412 R417 H418 Q422 T423 Y435	V399-Y408 CarbonylContact C-O 3.47Å; V399-Y408 WeakPolarHBondContact CA-O 3.43Å; C400-Y408 PolarHBondContact N-O 3.11Å; C400-Y408 PolarHBondContact O-N 2.74Å; Y408-Q411 PolarHBondContact OH-N 2.75Å; Y408-Q411 PolarHBondContact OH-O 2.86Å; Y408-Q411 VanDerWaalsContact OH-O 3.07Å; Y408-W412 AromaticContact CD1-CE2 3.55Å; Y408-W412 HydrophobicContact CD1-CH2 4.27Å; Y408-W412 AromaticContact CD1-CZ2 3.32Å; Y408-W412 HydrophobicContact CD1-CZ2 3.32Å; Y408-W412 AromaticContact CD1-NE1 3.59Å; Y408-W412 HydrophobicContact CE1-CD2 4.36Å; Y408-W412 AromaticContact CE1-CE2 3.6Å; Y408-W412 AromaticContact CE1-CZ2 3.82Å; Y408-W412 HydrophobicContact CE1-CZ2 3.82Å; Y408-W412 AromaticContact CE1-NE1 3.46Å; Y408-W412 HydrophobicContact CG-CZ2 4.3Å; Y408-R417 HydrophobicContact CD1-CG 3.91Å; Y408-R417 HydrophobicContact CD2-CG 4.12Å; Y408-R417 HydrophobicContact CE1-CB 4.18Å; Y408-R417 HydrophobicContact CE1-CG 3.71Å; Y408-R417 HydrophobicContact CE2-CB 4.2Å; Y408-R417 HydrophobicContact CE2-CG 3.95Å; Y408-R417 HydrophobicContact CG-CG 4.06Å; Y408-H418 PolarHBondContact OH-O 3.25Å; Y408-Q422 WeakPolarHBondContact CA-O 3.14Å; Y408-Q422 WeakPolarHBondContact CD2-O 3.34Å; Y408-T423 WeakPolarHBondContact CD2-OG1 3.34Å; Y408-Y435 AromaticContact CE2-CD2 3.97Å; Y408-Y435 HydrophobicContact CE2-CD2 3.97Å; Y408-Y435 AromaticContact CE2-CE2 3.66Å; Y408-Y435 HydrophobicContact CE2-CE2 3.66Å; Y408-Y435 AromaticContact CE2-CZ 3.96Å
409	E	97.8	Very high	93.7	Very high	15 Å²	15	36 Å²	36	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.1	176.5	-54.3	174	164	0	0	108.7	V399 I407 G421 Q422 H424 V468 R472	V399-E409 HydrophobicContact CG1-CG 4.03Å; V399-E409 HydrophobicContact CG2-CB 4.31Å; V399-E409 HydrophobicContact CG2-CG 3.99Å; I407-E409 HydrophobicContact CG2-CG 3.97Å; E409-G421 CarbonylContact O-C 3.53Å; E409-G421 WeakPolarHBondContact O-CA 3.25Å; E409-Q422 HydrophobicContact CB-CG 4.27Å; E409-Q422 PolarHBondContact N-O 3.33Å; E409-Q422 PolarHBondContact O-N 3.31Å; E409-Q422 PolarHBondContact OE2-NE2 2.86Å; E409-H424 IonicContact OE2-CE1 3.25Å; E409-V468 HydrophobicContact CB-CG2 4.26Å; E409-V468 VanDerWaalsContact OE2-CG1 3.22Å; E409-V468 WeakPolarHBondContact OE2-CG1 3.28Å; E409-R472 VanDerWaalsContact CD-NH2 3.33Å; E409-R472 IonicContact OE1-CZ 2.61Å; E409-R472 VanDerWaalsContact OE1-CZ 3.32Å; E409-R472 IonicContact OE1-NE 2.81Å; E409-R472 PolarHBondContact OE1-NE 3.29Å; E409-R472 IonicContact OE1-NH2 3.59Å; E409-R472 PolarHBondContact OE1-NH2 3.41Å; E409-R472 IonicContact OE2-CZ 3.51Å; E409-R472 IonicContact OE2-NE 3.06Å; E409-R472 PolarHBondContact OE2-NE 3.01Å; E409-R472 IonicContact OE2-NH2 3.79Å; E409-R472 PolarHBondContact OE2-NH2 2.85Å
410	G	97.6	Very high	93.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-148.9	179.4	0	0	0	0	0	114	Y397 G398 Y420	Y397-G410 WeakPolarHBondContact CA-O 3.41Å; G398-G410 PolarHBondContact N-O 2.76Å; G398-G410 PolarHBondContact O-N 3.16Å; G410-Y420 WeakPolarHBondContact CA-O 3.3Å
411	Q	97.6	Very high	93.8	Very high	41 Å²	41	37.7 Å²	37.7	19%	0.192	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145.7	-174	-62.8	178.3	-85.7	0	0	112.9	G396 Y397 Y408 H418 G419 Y420	G396-Q411 CarbonylContact O-C 3.58Å; G396-Q411 WeakPolarHBondContact O-CA 3.38Å; Y397-Q411 HydrophobicContact CD1-CG 3.65Å; Y397-Q411 HydrophobicContact CE1-CG 3.3Å; Y397-Q411 PolarHBondContact OH-NE2 3.47Å; Y408-Q411 PolarHBondContact OH-N 2.75Å; Y408-Q411 PolarHBondContact OH-O 2.86Å; Y408-Q411 VanDerWaalsContact OH-O 3.07Å; Q411-H418 VanDerWaalsContact CB-O 3.31Å; Q411-H418 WeakPolarHBondContact CB-O 3.49Å; Q411-H418 PolarHBondContact O-N 2.85Å; Q411-H418 VanDerWaalsContact O-O 3.11Å; Q411-G419 VanDerWaalsContact OE1-CA 3.29Å; Q411-Y420 PolarHBondContact N-O 3.22Å
412	W	96.1	Very high	93.8	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141	-178.1	-68	87.5	0	0	0	110.2	V285 F385 R394 H395 G396 G398 C400 Y408 R416 R417	V285-W412 HydrophobicContact CG1-CH2 4.1Å; V285-W412 HydrophobicContact CG1-CZ3 3.88Å; F385-W412 HydrophobicContact CD2-CZ2 4.24Å; F385-W412 AromaticContact CE2-CD1 3.8Å; F385-W412 HydrophobicContact CE2-CD2 4.05Å; F385-W412 AromaticContact CE2-CE2 3.73Å; F385-W412 HydrophobicContact CE2-CG 4.09Å; F385-W412 HydrophobicContact CE2-CZ2 4.26Å; F385-W412 AromaticContact CE2-NE1 3.57Å; R394-W412 HydrophobicContact CB-CB 4.29Å; R394-W412 HydrophobicContact CB-CD2 4.28Å; R394-W412 HydrophobicContact CB-CE3 4.03Å; R394-W412 HydrophobicContact CB-CG 4.41Å; H395-W412 CarbonylContact C-O 3.42Å; H395-W412 WeakPolarHBondContact CA-O 3.35Å; G396-W412 PolarHBondContact N-O 2.93Å; G396-W412 PolarHBondContact O-N 2.96Å; G398-W412 PolarHBondContact O-NE1 3.19Å; C400-W412 HydrophobicContact CB-CH2 3.98Å; C400-W412 HydrophobicContact CB-CZ2 3.49Å; C400-W412 VanDerWaalsContact CB-CZ2 3.49Å; Y408-W412 AromaticContact CD1-CE2 3.55Å; Y408-W412 HydrophobicContact CD1-CH2 4.27Å; Y408-W412 AromaticContact CD1-CZ2 3.32Å; Y408-W412 HydrophobicContact CD1-CZ2 3.32Å; Y408-W412 AromaticContact CD1-NE1 3.59Å; Y408-W412 HydrophobicContact CE1-CD2 4.36Å; Y408-W412 AromaticContact CE1-CE2 3.6Å; Y408-W412 AromaticContact CE1-CZ2 3.82Å; Y408-W412 HydrophobicContact CE1-CZ2 3.82Å; Y408-W412 AromaticContact CE1-NE1 3.46Å; Y408-W412 HydrophobicContact CG-CZ2 4.3Å; W412-R416 WeakPolarHBondContact CA-O 3.32Å; W412-R417 HydrophobicContact CH2-CG 4.09Å; W412-R417 HydrophobicContact CZ2-CG 4.39Å; W412-R417 HydrophobicContact CZ3-CG 4.25Å
413	V	94.3	Very high	94	Very high	48 Å²	48	34.1 Å²	34.1	29%	0.291	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	119.9	170.5	176.4	0	0	0	0	107.8	N415 R416 H418	V413-N415 PolarHBondContact O-N 3.47Å; V413-R416 PolarHBondContact N-O 3.28Å; V413-R416 PolarHBondContact O-N 2.77Å; V413-H418 HydrophobicContact CB-CB 4.02Å; V413-H418 HydrophobicContact CG2-CB 3.76Å
414	K	90.2	Very high	94.1	Very high	136 Å²	136	33.2 Å²	33.2	59%	0.591	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	55.9	176.4	-61.1	-174.9	177.3	-173.4	0	112.3	R394 R416	R394-K414 PolarHBondContact O-N 2.85Å; K414-R416 PolarHBondContact O-N 3.11Å; K414-R416 VanDerWaalsContact O-N 3.17Å
415	N	90	Very high	94.3	Very high	27 Å²	27	31.5 Å²	31.5	14%	0.144	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	15.5	-179.6	-69.1	-45.8	0	0	0	115.9	S393 R394 V413	S393-N415 PolarHBondContact OG-ND2 2.88Å; R394-N415 WeakPolarHBondContact CB-OD1 3.43Å; R394-N415 WeakPolarHBondContact CG-OD1 3.39Å; R394-N415 PolarHBondContact N-OD1 3.15Å; R394-N415 PolarHBondContact NE-OD1 3.42Å; R394-N415 VanDerWaalsContact NE-OD1 3.11Å; R394-N415 PolarHBondContact O-N 2.88Å; V413-N415 PolarHBondContact O-N 3.47Å
416	R	89.6	Confident	94.2	Very high	86 Å²	86	34.6 Å²	34.6	33%	0.325	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.1	176.8	-66.2	-172.6	-73.3	-91.1	4.9	111.5	W412 V413 K414 H418	W412-R416 WeakPolarHBondContact CA-O 3.32Å; V413-R416 PolarHBondContact N-O 3.28Å; V413-R416 PolarHBondContact O-N 2.77Å; K414-R416 PolarHBondContact O-N 3.11Å; K414-R416 VanDerWaalsContact O-N 3.17Å; R416-H418 PolarHBondContact O-N 3.12Å
417	R	92.9	Very high	94	Very high	41 Å²	41	38.8 Å²	38.8	16%	0.155	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	128.6	166.5	-61.6	179.3	-75.1	175.5	-6	109.4	Y408 W412 T423 Y435 G438	Y408-R417 HydrophobicContact CD1-CG 3.91Å; Y408-R417 HydrophobicContact CD2-CG 4.12Å; Y408-R417 HydrophobicContact CE1-CB 4.18Å; Y408-R417 HydrophobicContact CE1-CG 3.71Å; Y408-R417 HydrophobicContact CE2-CB 4.2Å; Y408-R417 HydrophobicContact CE2-CG 3.95Å; Y408-R417 HydrophobicContact CG-CG 4.06Å; W412-R417 HydrophobicContact CH2-CG 4.09Å; W412-R417 HydrophobicContact CZ2-CG 4.39Å; W412-R417 HydrophobicContact CZ3-CG 4.25Å; R417-T423 PolarHBondContact NH1-OG1 3Å; R417-Y435 HydrophobicContact CB-CD1 3.9Å; R417-Y435 HydrophobicContact CB-CG 4.12Å; R417-G438 WeakPolarHBondContact O-CA 3.18Å; R417-G438 PolarHBondContact O-N 3.46Å
418	H	92.6	Very high	93.6	Very high	52 Å²	52	40.3 Å²	40.3	24%	0.241	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	174.2	-177.9	-163.7	76.7	0	0	0	109.8	Y408 Q411 V413 R416 Y420 Y435	Y408-H418 PolarHBondContact OH-O 3.25Å; Q411-H418 VanDerWaalsContact CB-O 3.31Å; Q411-H418 WeakPolarHBondContact CB-O 3.49Å; Q411-H418 PolarHBondContact O-N 2.85Å; Q411-H418 VanDerWaalsContact O-O 3.11Å; V413-H418 HydrophobicContact CB-CB 4.02Å; V413-H418 HydrophobicContact CG2-CB 3.76Å; R416-H418 PolarHBondContact O-N 3.12Å; H418-Y420 PolarHBondContact O-N 3.19Å; H418-Y435 CarbonylContact C-O 3.57Å
419	G	96.1	Very high	93.2	Very high	4 Å²	4	42 Å²	42	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.7	-137.4	169.7	0	0	0	0	0	112.9	Q411 R434 Y435	Q411-G419 VanDerWaalsContact OE1-CA 3.29Å; G419-R434 CarbonylContact O-C 3.49Å; G419-R434 WeakPolarHBondContact O-CA 3.25Å; G419-R434 WeakPolarHBondContact O-CG 3.45Å; G419-Y435 PolarHBondContact N-O 2.88Å; G419-Y435 PolarHBondContact O-N 3.02Å
420	Y	97.6	Very high	92.9	Very high	55 Å²	55	43.2 Å²	43.2	22%	0.216	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	142	178.2	-58.4	-84.5	0	0	0	111.1	G410 Q411 H418 G433 R434 I460 E463 V464 A467	G410-Y420 WeakPolarHBondContact CA-O 3.3Å; Q411-Y420 PolarHBondContact N-O 3.22Å; H418-Y420 PolarHBondContact O-N 3.19Å; Y420-G433 WeakPolarHBondContact CA-O 3.07Å; Y420-R434 HydrophobicContact CD1-CB 4.2Å; Y420-R434 HydrophobicContact CE1-CB 4.15Å; Y420-R434 HydrophobicContact CE1-CG 4.35Å; Y420-I460 HydrophobicContact CD1-CG2 4.24Å; Y420-I460 HydrophobicContact CE1-CG1 4.3Å; Y420-I460 HydrophobicContact CE1-CG2 4.18Å; Y420-E463 HydrophobicContact CD1-CB 3.79Å; Y420-E463 HydrophobicContact CD2-CB 3.89Å; Y420-E463 HydrophobicContact CE1-CB 3.85Å; Y420-E463 HydrophobicContact CE1-CG 4.44Å; Y420-E463 HydrophobicContact CE2-CB 3.96Å; Y420-E463 HydrophobicContact CE2-CG 4.29Å; Y420-E463 HydrophobicContact CG-CB 3.8Å; Y420-V464 HydrophobicContact CD1-CG2 4.17Å; Y420-A467 WeakPolarHBondContact O-CB 3.37Å
421	G	96.9	Very high	92.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	179.8	176.4	0	0	0	0	0	112.5	E409 G433	E409-G421 CarbonylContact O-C 3.53Å; E409-G421 WeakPolarHBondContact O-CA 3.25Å; G421-G433 PolarHBondContact N-O 3.31Å; G421-G433 PolarHBondContact O-N 3.01Å
422	Q	95.5	Very high	92.4	Very high	22 Å²	22	42.7 Å²	42.7	10%	0.103	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.3	177.2	70.8	-172.5	-3.2	0	0	111.7	Y408 E409 H424 E431 Q432 V464 V468	Y408-Q422 WeakPolarHBondContact CA-O 3.14Å; Y408-Q422 WeakPolarHBondContact CD2-O 3.34Å; E409-Q422 HydrophobicContact CB-CG 4.27Å; E409-Q422 PolarHBondContact N-O 3.33Å; E409-Q422 PolarHBondContact O-N 3.31Å; E409-Q422 PolarHBondContact OE2-NE2 2.86Å; Q422-H424 VanDerWaalsContact CD-CE1 3.41Å; Q422-H424 PolarHBondContact NE2-CE1 3.06Å; Q422-E431 CarbonylContact C-O 3.51Å; Q422-E431 VanDerWaalsContact CA-O 3.29Å; Q422-E431 WeakPolarHBondContact CA-O 3.21Å; Q422-Q432 HydrophobicContact CB-CB 3.88Å; Q422-V464 HydrophobicContact CB-CG1 4.29Å; Q422-V468 HydrophobicContact CB-CG2 4.33Å; Q422-V468 VanDerWaalsContact CD-CG2 3.48Å; Q422-V468 HydrophobicContact CG-CG2 3.59Å
423	T	94.8	Very high	92.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.7	170	-63.3	0	0	0	0	109.3	V406 I407 Y408 R417 F425 C430 E431 Y435	V406-T423 HydrophobicContact CG1-CG2 4.12Å; I407-T423 CarbonylContact O-C 3.52Å; I407-T423 WeakPolarHBondContact O-CA 3.2Å; Y408-T423 WeakPolarHBondContact CD2-OG1 3.34Å; R417-T423 PolarHBondContact NH1-OG1 3Å; T423-F425 HydrophobicContact CG2-CD2 4.25Å; T423-F425 HydrophobicContact CG2-CE1 4.23Å; T423-F425 HydrophobicContact CG2-CE2 3.71Å; T423-F425 HydrophobicContact CG2-CZ 3.71Å; T423-C430 CarbonylContact O-C 3.56Å; T423-C430 WeakPolarHBondContact O-CA 3.27Å; T423-E431 PolarHBondContact N-O 2.95Å; T423-E431 PolarHBondContact O-N 3.3Å; T423-Y435 PolarHBondContact OG1-OH 3.05Å
424	H	94.4	Very high	92.3	Very high	53 Å²	53	44.5 Å²	44.5	25%	0.245	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.5	168.9	-54.2	96	0	0	0	109.4	V406 I407 E409 Q422	V406-H424 WeakPolarHBondContact CA-O 3.23Å; I407-H424 HydrophobicContact CB-CB 4.33Å; I407-H424 PolarHBondContact N-O 2.84Å; I407-H424 PolarHBondContact O-N 3.17Å; E409-H424 IonicContact OE2-CE1 3.25Å; Q422-H424 VanDerWaalsContact CD-CE1 3.41Å; Q422-H424 PolarHBondContact NE2-CE1 3.06Å
425	F	92.3	Very high	92.4	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.057	20%	0.204	C	C	.	.			trans	-110.4	155.7	174.6	-66.5	-87.7	0	0	0	109.6	S288 R290 V406 T423 D427 G428 V429 E431	S288-F425 WeakPolarHBondContact O-CE1 3.25Å; R290-F425 HydrophobicContact CG-CE1 4.38Å; R290-F425 HydrophobicContact CG-CZ 4.27Å; V406-F425 HydrophobicContact CG2-CD1 4.37Å; T423-F425 HydrophobicContact CG2-CD2 4.25Å; T423-F425 HydrophobicContact CG2-CE1 4.23Å; T423-F425 HydrophobicContact CG2-CE2 3.71Å; T423-F425 HydrophobicContact CG2-CZ 3.71Å; F425-D427 WeakPolarHBondContact CB-OD1 3.27Å; F425-D427 PolarHBondContact O-N 2.7Å; F425-D427 VanDerWaalsContact O-N 3.12Å; F425-G428 PolarHBondContact O-N 2.79Å; F425-V429 HydrophobicContact CB-CB 4.46Å; F425-V429 HydrophobicContact CD2-CB 4.35Å; F425-V429 HydrophobicContact CD2-CG1 4.37Å; F425-V429 WeakPolarHBondContact CD2-O 3.42Å; F425-V429 PolarHBondContact N-O 3.17Å; F425-E431 HydrophobicContact CE2-CB 4.06Å; F425-E431 HydrophobicContact CE2-CG 3.67Å; F425-E431 HydrophobicContact CZ-CG 4.45Å
426	P	88	Confident	92.5	Very high	92 Å²	92	41.3 Å²	41.3	60%	0.597	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.4	-178.3	22.3	-33.9	0	0	0	114	D404 G428	D404-P426 WeakPolarHBondContact O-CB 3.33Å; P426-G428 PolarHBondContact O-N 3.26Å
427	D	87.6	Confident	92.4	Very high	90 Å²	90	42 Å²	42	48%	0.481	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.8	175	64.9	-0.4	0	0	0	114	R290 F425 V429	R290-D427 IonicContact CZ-OD2 3.12Å; R290-D427 IonicContact NE-OD2 3.9Å; R290-D427 IonicContact NH2-OD2 2.77Å; R290-D427 PolarHBondContact NH2-OD2 2.91Å; F425-D427 WeakPolarHBondContact CB-OD1 3.27Å; F425-D427 PolarHBondContact O-N 2.7Å; F425-D427 VanDerWaalsContact O-N 3.12Å; D427-V429 VanDerWaalsContact C-N 3.34Å; D427-V429 VanDerWaalsContact OD1-CB 3.25Å; D427-V429 WeakPolarHBondContact OD1-CB 3.26Å; D427-V429 WeakPolarHBondContact OD1-CG2 3.05Å; D427-V429 PolarHBondContact OD1-N 3.42Å; D427-V429 WeakPolarHBondContact OD2-CG2 3.42Å
428	G	87	Confident	92.1	Very high	69 Å²	69	41 Å²	41	71%	0.711	23%	0.231	S	C	*	.	S	Bend	trans	83.9	1.9	-177.7	0	0	0	0	0	114.5	F425 P426	F425-G428 PolarHBondContact O-N 2.79Å; P426-G428 PolarHBondContact O-N 3.26Å
429	V	88	Confident	91.9	Very high	37 Å²	37	44.1 Å²	44.1	22%	0.224	24%	0.244	C	C	.	.			trans	-71	138.5	173.8	176.8	0	0	0	0	109.8	M294 F425 D427	M294-V429 HydrophobicContact CE-CG1 4.24Å; F425-V429 HydrophobicContact CB-CB 4.46Å; F425-V429 HydrophobicContact CD2-CB 4.35Å; F425-V429 HydrophobicContact CD2-CG1 4.37Å; F425-V429 WeakPolarHBondContact CD2-O 3.42Å; F425-V429 PolarHBondContact N-O 3.17Å; D427-V429 VanDerWaalsContact C-N 3.34Å; D427-V429 VanDerWaalsContact OD1-CB 3.25Å; D427-V429 WeakPolarHBondContact OD1-CB 3.26Å; D427-V429 WeakPolarHBondContact OD1-CG2 3.05Å; D427-V429 PolarHBondContact OD1-N 3.42Å; D427-V429 WeakPolarHBondContact OD2-CG2 3.42Å
430	C	90.7	Very high	91.6	Very high	39 Å²	39	44.6 Å²	44.6	26%	0.264	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.8	175.7	-178.9	0	0	0	0	111.4	T423	T423-C430 CarbonylContact O-C 3.56Å; T423-C430 WeakPolarHBondContact O-CA 3.27Å
431	E	91.8	Very high	91.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	92.7	173.3	-77.6	-172.5	-163.3	0	0	110.9	R290 S291 M294 Q422 T423 F425 Y435 L440	R290-E431 WeakPolarHBondContact CA-OE1 3.43Å; R290-E431 WeakPolarHBondContact CB-OE1 3.46Å; S291-E431 WeakPolarHBondContact CB-OE2 3.41Å; S291-E431 PolarHBondContact N-OE1 3.5Å; S291-E431 PolarHBondContact N-OE2 3.24Å; S291-E431 VanDerWaalsContact OG-CD 3.28Å; S291-E431 PolarHBondContact OG-OE1 3.28Å; S291-E431 PolarHBondContact OG-OE2 3.32Å; M294-E431 WeakPolarHBondContact CB-OE1 3.36Å; M294-E431 HydrophobicContact CE-CG 3.62Å; M294-E431 VanDerWaalsContact CG-CD 3.45Å; M294-E431 HydrophobicContact CG-CG 3.48Å; M294-E431 VanDerWaalsContact CG-CG 3.48Å; M294-E431 VanDerWaalsContact CG-OE1 3.22Å; M294-E431 WeakPolarHBondContact CG-OE1 2.99Å; M294-E431 HydrophobicContact SD-CG 4.45Å; Q422-E431 CarbonylContact C-O 3.51Å; Q422-E431 VanDerWaalsContact CA-O 3.29Å; Q422-E431 WeakPolarHBondContact CA-O 3.21Å; T423-E431 PolarHBondContact N-O 2.95Å; T423-E431 PolarHBondContact O-N 3.3Å; F425-E431 HydrophobicContact CE2-CB 4.06Å; F425-E431 HydrophobicContact CE2-CG 3.67Å; F425-E431 HydrophobicContact CZ-CG 4.45Å; E431-Y435 PolarHBondContact O-OH 3Å; E431-L440 HydrophobicContact CB-CD2 4.47Å
432	Q	92.8	Very high	90.7	Very high	30 Å²	30	46.9 Å²	46.9	14%	0.14	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.1	-177.5	38.4	169	39.6	0	0	111.7	Q422 S444 M461 V464	Q422-Q432 HydrophobicContact CB-CB 3.88Å; Q432-S444 VanDerWaalsContact CG-OG 3.24Å; Q432-S444 WeakPolarHBondContact CG-OG 3.14Å; Q432-S444 PolarHBondContact NE2-OG 3.4Å; Q432-S444 WeakPolarHBondContact O-CB 3.44Å; Q432-S444 PolarHBondContact O-N 2.87Å; Q432-S444 PolarHBondContact O-OG 3.08Å; Q432-M461 VanDerWaalsContact NE2-CE 3.27Å; Q432-M461 PolarHBondContact NE2-SD 2.83Å; Q432-V464 HydrophobicContact CB-CG1 4Å
433	G	93.9	Very high	90.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163	-146.8	175.3	0	0	0	0	0	114	Y420 G421 F442	Y420-G433 WeakPolarHBondContact CA-O 3.07Å; G421-G433 PolarHBondContact N-O 3.31Å; G421-G433 PolarHBondContact O-N 3.01Å; G433-F442 CarbonylContact C-O 3.41Å; G433-F442 WeakPolarHBondContact CA-O 3.46Å
434	R	94.9	Very high	89.7	Confident	87 Å²	87	46.3 Å²	46.3	33%	0.328	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.7	-176.6	-173.4	179.9	158	101.1	-0.8	111	G419 Y420 V441 F442	G419-R434 CarbonylContact O-C 3.49Å; G419-R434 WeakPolarHBondContact O-CA 3.25Å; G419-R434 WeakPolarHBondContact O-CG 3.45Å; Y420-R434 HydrophobicContact CD1-CB 4.2Å; Y420-R434 HydrophobicContact CE1-CB 4.15Å; Y420-R434 HydrophobicContact CE1-CG 4.35Å; R434-V441 HydrophobicContact CB-CG2 4.16Å; R434-V441 HydrophobicContact CG-CG2 4Å; R434-V441 WeakPolarHBondContact O-CG2 3.42Å; R434-V441 PolarHBondContact O-N 3.42Å; R434-F442 HydrophobicContact CB-CB 4.06Å; R434-F442 PolarHBondContact N-O 2.91Å; R434-F442 PolarHBondContact O-N 3.42Å; R434-F442 VanDerWaalsContact O-N 3.16Å
435	Y	93.4	Very high	88.5	Confident	1 Å²	1	46 Å²	46	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.1	176.1	-69.6	-96.4	0	0	0	111.4	Y408 R417 H418 G419 T423 E431 K439 L440	Y408-Y435 AromaticContact CE2-CD2 3.97Å; Y408-Y435 HydrophobicContact CE2-CD2 3.97Å; Y408-Y435 AromaticContact CE2-CE2 3.66Å; Y408-Y435 HydrophobicContact CE2-CE2 3.66Å; Y408-Y435 AromaticContact CE2-CZ 3.96Å; R417-Y435 HydrophobicContact CB-CD1 3.9Å; R417-Y435 HydrophobicContact CB-CG 4.12Å; H418-Y435 CarbonylContact C-O 3.57Å; G419-Y435 PolarHBondContact N-O 2.88Å; G419-Y435 PolarHBondContact O-N 3.02Å; T423-Y435 PolarHBondContact OG1-OH 3.05Å; E431-Y435 PolarHBondContact O-OH 3Å; Y435-K439 CarbonylContact C-O 3.51Å; Y435-K439 VanDerWaalsContact CA-O 3.25Å; Y435-K439 WeakPolarHBondContact CA-O 3.43Å; Y435-L440 HydrophobicContact CD1-CB 4.21Å; Y435-L440 HydrophobicContact CD1-CD1 4.37Å; Y435-L440 HydrophobicContact CD2-CD1 3.95Å; Y435-L440 HydrophobicContact CE1-CB 3.88Å; Y435-L440 HydrophobicContact CE1-CD1 4.01Å; Y435-L440 HydrophobicContact CE2-CD1 3.55Å; Y435-L440 HydrophobicContact CG-CD1 4.34Å
436	Q	91.1	Very high	87.2	Confident	94 Å²	94	50.4 Å²	50.4	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	125.4	168.9	-173	172.6	2.1	0	0	108.8	G438 K439 V441	Q436-G438 PolarHBondContact O-N 2.73Å; Q436-K439 PolarHBondContact N-O 3.07Å; Q436-K439 PolarHBondContact O-N 3.38Å; Q436-V441 HydrophobicContact CB-CG1 3.84Å; Q436-V441 HydrophobicContact CB-CG2 4.25Å
437	N	88.3	Confident	85.5	Confident	100 Å²	100	55.4 Å²	55.4	54%	0.535	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.6	-179.9	-60.3	-26.8	0	0	0	113.3	K439	N437-K439 VanDerWaalsContact C-N 3.31Å; N437-K439 PolarHBondContact O-N 3.37Å
438	G	86.2	Confident	84.1	Confident	20 Å²	20	54.8 Å²	54.8	21%	0.206	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-9.8	-179.7	0	0	0	0	0	115.4	R417 Q436	R417-G438 WeakPolarHBondContact O-CA 3.18Å; R417-G438 PolarHBondContact O-N 3.46Å; Q436-G438 PolarHBondContact O-N 2.73Å
439	K	88.3	Confident	82.9	Confident	118 Å²	118	53 Å²	53	51%	0.513	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.3	-178.4	-62.6	-173.8	-179.4	-175.1	0	111.4	Y435 Q436 N437 V441	Y435-K439 CarbonylContact C-O 3.51Å; Y435-K439 VanDerWaalsContact CA-O 3.25Å; Y435-K439 WeakPolarHBondContact CA-O 3.43Å; Q436-K439 PolarHBondContact N-O 3.07Å; Q436-K439 PolarHBondContact O-N 3.38Å; N437-K439 VanDerWaalsContact C-N 3.31Å; N437-K439 PolarHBondContact O-N 3.37Å; K439-V441 PolarHBondContact O-N 2.79Å
440	L	90.6	Very high	82.1	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	108.5	171.2	-173.3	69.5	0	0	0	109	S291 L293 E431 Y435 F442 L443	S291-L440 WeakPolarHBondContact OG-CD2 3.35Å; L293-L440 WeakPolarHBondContact CD1-O 3.5Å; E431-L440 HydrophobicContact CB-CD2 4.47Å; Y435-L440 HydrophobicContact CD1-CB 4.21Å; Y435-L440 HydrophobicContact CD1-CD1 4.37Å; Y435-L440 HydrophobicContact CD2-CD1 3.95Å; Y435-L440 HydrophobicContact CE1-CB 3.88Å; Y435-L440 HydrophobicContact CE1-CD1 4.01Å; Y435-L440 HydrophobicContact CE2-CD1 3.55Å; Y435-L440 HydrophobicContact CG-CD1 4.34Å; L440-F442 VanDerWaalsContact CD1-O 3.29Å; L440-F442 WeakPolarHBondContact CD1-O 3.32Å; L440-L443 HydrophobicContact CD2-CB 4.04Å; L440-L443 HydrophobicContact CD2-CD1 4.06Å
441	V	89.2	Confident	80.8	Confident	66 Å²	66	61.2 Å²	61.2	40%	0.4	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-24.8	179.9	-67.4	0	0	0	0	112.3	L293 R434 Q436 K439	L293-V441 WeakPolarHBondContact CD1-O 3.45Å; R434-V441 HydrophobicContact CB-CG2 4.16Å; R434-V441 HydrophobicContact CG-CG2 4Å; R434-V441 WeakPolarHBondContact O-CG2 3.42Å; R434-V441 PolarHBondContact O-N 3.42Å; Q436-V441 HydrophobicContact CB-CG1 3.84Å; Q436-V441 HydrophobicContact CB-CG2 4.25Å; K439-V441 PolarHBondContact O-N 2.79Å
442	F	86.5	Confident	79.7	Confident	37 Å²	37	68.9 Å²	68.9	16%	0.162	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.9	174.9	-175.3	-86.3	0	0	0	110.8	G433 R434 L440 Y456 N457 I460	G433-F442 CarbonylContact C-O 3.41Å; G433-F442 WeakPolarHBondContact CA-O 3.46Å; R434-F442 HydrophobicContact CB-CB 4.06Å; R434-F442 PolarHBondContact N-O 2.91Å; R434-F442 PolarHBondContact O-N 3.42Å; R434-F442 VanDerWaalsContact O-N 3.16Å; L440-F442 VanDerWaalsContact CD1-O 3.29Å; L440-F442 WeakPolarHBondContact CD1-O 3.32Å; F442-Y456 HydrophobicContact CD2-CD1 4.47Å; F442-Y456 AromaticContact CD2-CE1 3.62Å; F442-Y456 HydrophobicContact CD2-CE1 3.62Å; F442-Y456 HydrophobicContact CE1-CE1 4.38Å; F442-Y456 AromaticContact CE2-CD1 3.59Å; F442-Y456 HydrophobicContact CE2-CD1 3.59Å; F442-Y456 AromaticContact CE2-CE1 3.14Å; F442-Y456 HydrophobicContact CE2-CE1 3.14Å; F442-Y456 HydrophobicContact CG-CE1 4.4Å; F442-Y456 AromaticContact CZ-CD1 3.61Å; F442-Y456 HydrophobicContact CZ-CD1 3.61Å; F442-Y456 AromaticContact CZ-CE1 3.53Å; F442-Y456 HydrophobicContact CZ-CE1 3.53Å; F442-N457 VanDerWaalsContact CZ-OD1 3.28Å; F442-N457 WeakPolarHBondContact CZ-OD1 3.44Å; F442-I460 HydrophobicContact CB-CD1 4.48Å; F442-I460 HydrophobicContact CD1-CB 4.24Å; F442-I460 HydrophobicContact CD1-CD1 3.22Å; F442-I460 HydrophobicContact CD1-CG1 4.26Å; F442-I460 HydrophobicContact CD1-CG2 3.73Å; F442-I460 HydrophobicContact CD2-CD1 4.08Å; F442-I460 HydrophobicContact CE1-CB 3.91Å; F442-I460 HydrophobicContact CE1-CD1 3.18Å; F442-I460 HydrophobicContact CE1-CG1 4.07Å; F442-I460 HydrophobicContact CE1-CG2 3.82Å; F442-I460 HydrophobicContact CE2-CD1 4.1Å; F442-I460 HydrophobicContact CG-CD1 3.65Å; F442-I460 HydrophobicContact CZ-CD1 3.62Å
443	L	87.4	Confident	78.8	Confident	7 Å²	7	70.2 Å²	70.2	4%	0.037	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.2	175.6	173.2	66.1	0	0	0	110.1	L293 M294 L440 W445	L293-L443 HydrophobicContact CD2-CB 3.33Å; L293-L443 HydrophobicContact CD2-CD2 3.93Å; L293-L443 HydrophobicContact CD2-CG 4.3Å; M294-L443 HydrophobicContact CE-CD1 3.86Å; M294-L443 HydrophobicContact CE-CD2 3.93Å; M294-L443 HydrophobicContact CG-CD2 3.84Å; M294-L443 HydrophobicContact SD-CD1 4.25Å; M294-L443 HydrophobicContact SD-CD2 3.25Å; M294-L443 WeakPolarHBondContact SD-CD2 3.46Å; M294-L443 HydrophobicContact SD-CG 4.39Å; L440-L443 HydrophobicContact CD2-CB 4.04Å; L440-L443 HydrophobicContact CD2-CD1 4.06Å; L443-W445 HydrophobicContact CB-CZ2 4.22Å; L443-W445 HydrophobicContact CD2-CH2 3.54Å; L443-W445 HydrophobicContact CD2-CZ2 3.35Å; L443-W445 HydrophobicContact CG-CH2 4.21Å; L443-W445 HydrophobicContact CG-CZ2 3.67Å; L443-W445 VanDerWaalsContact O-CD1 3.31Å; L443-W445 PolarHBondContact O-NE1 3.47Å
444	S	80.4	Confident	78	Confident	4 Å²	4	75.8 Å²	75.8	3%	0.028	40%	0.401	C	S	.	.			trans	-90.5	142.9	-177.2	64.6	0	0	0	0	112.6	Q432 M461	Q432-S444 VanDerWaalsContact CG-OG 3.24Å; Q432-S444 WeakPolarHBondContact CG-OG 3.14Å; Q432-S444 PolarHBondContact NE2-OG 3.4Å; Q432-S444 WeakPolarHBondContact O-CB 3.44Å; Q432-S444 PolarHBondContact O-N 2.87Å; Q432-S444 PolarHBondContact O-OG 3.08Å; S444-M461 WeakPolarHBondContact CB-SD 3.44Å; S444-M461 PolarHBondContact OG-SD 2.89Å
445	W	70.6	Confident	77.3	Confident	48 Å²	48	77 Å²	77	18%	0.182	41%	0.414	C	S	.	.			trans	-115.3	135.5	-166.6	-61.8	86.6	0	0	0	113.1	R297 L443	R297-W445 HydrophobicContact CG-CH2 3.8Å; R297-W445 HydrophobicContact CG-CZ2 4.36Å; R297-W445 VanDerWaalsContact CZ-CZ3 3.48Å; R297-W445 VanDerWaalsContact NH1-NE1 3.17Å; R297-W445 VanDerWaalsContact NH2-CE2 3.26Å; L443-W445 HydrophobicContact CB-CZ2 4.22Å; L443-W445 HydrophobicContact CD2-CH2 3.54Å; L443-W445 HydrophobicContact CD2-CZ2 3.35Å; L443-W445 HydrophobicContact CG-CH2 4.21Å; L443-W445 HydrophobicContact CG-CZ2 3.67Å; L443-W445 VanDerWaalsContact O-CD1 3.31Å; L443-W445 PolarHBondContact O-NE1 3.47Å
446	P	63.5	Low	76.7	Confident	104 Å²	104	82.6 Å²	82.6	68%	0.675	44%	0.435	S	S	*	.	S	Bend	trans	-70.2	-49.6	167.2	-19.1	31.6	0	0	0	112.6
447	K	54	Low	76.5	Confident	197 Å²	197	78.5 Å²	78.5	86%	0.857	42%	0.416	S	S	*	.	S	Bend	trans	-154.8	136.5	-172.9	-61.4	-176.3	-178.2	172.8	0	111.9
448	G	57.6	Low	76.4	Confident	78 Å²	78	80.3 Å²	80.3	80%	0.804	42%	0.417	S	S	*	.			trans	112.9	9.3	166.6	0	0	0	0	0	118.8
449	A	61.9	Low	76.4	Confident	30 Å²	30	82.8 Å²	82.8	25%	0.248	42%	0.423	C	S	.	.	S	Bend	trans	-83.9	159.6	171.5	0	0	0	0	0	111.7	S451 L453	A449-S451 PolarHBondContact O-N 3.21Å; A449-L453 HydrophobicContact CB-CB 4.1Å; A449-L453 HydrophobicContact CB-CD1 4.38Å
450	K	70	Confident	76.6	Confident	138 Å²	138	77.3 Å²	77.3	60%	0.6	40%	0.399	S	S	*	.			trans	-45.7	138	172	-59.4	179.1	-180	-177.3	0	110.2	Y452 L453	K450-Y452 HydrophobicContact CB-CD1 3.9Å; K450-Y452 HydrophobicContact CB-CE1 3.58Å; K450-Y452 HydrophobicContact CD-CE1 3.49Å; K450-Y452 VanDerWaalsContact CD-CE1 3.49Å; K450-Y452 VanDerWaalsContact CD-OH 3.23Å; K450-Y452 WeakPolarHBondContact CD-OH 3.47Å; K450-Y452 HydrophobicContact CG-CE1 4.17Å; K450-Y452 PolarHBondContact NZ-OH 2.94Å; K450-Y452 PolarHBondContact O-N 2.83Å; K450-L453 HydrophobicContact CB-CD1 4.32Å; K450-L453 HydrophobicContact CB-CG 4.47Å; K450-L453 WeakPolarHBondContact O-CB 3.43Å; K450-L453 PolarHBondContact O-N 3.39Å
451	S	65.2	Low	76.6	Confident	111 Å²	111	79.5 Å²	79.5	78%	0.776	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.3	-171.1	-48.6	0	0	0	0	114.2	A449 L453 L454	A449-S451 PolarHBondContact O-N 3.21Å; S451-L453 VanDerWaalsContact C-N 3.31Å; S451-L453 PolarHBondContact O-N 3.48Å; S451-L454 WeakPolarHBondContact O-CB 3.29Å; S451-L454 PolarHBondContact O-N 3.1Å
452	Y	68.2	Low	76.8	Confident	163 Å²	163	81.5 Å²	81.5	64%	0.639	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.1	178.7	68.5	-95.6	0	0	0	114.1	K450 L454	K450-Y452 HydrophobicContact CB-CD1 3.9Å; K450-Y452 HydrophobicContact CB-CE1 3.58Å; K450-Y452 HydrophobicContact CD-CE1 3.49Å; K450-Y452 VanDerWaalsContact CD-CE1 3.49Å; K450-Y452 VanDerWaalsContact CD-OH 3.23Å; K450-Y452 WeakPolarHBondContact CD-OH 3.47Å; K450-Y452 HydrophobicContact CG-CE1 4.17Å; K450-Y452 PolarHBondContact NZ-OH 2.94Å; K450-Y452 PolarHBondContact O-N 2.83Å; Y452-L454 VanDerWaalsContact C-N 3.29Å
453	L	73.4	Confident	77.2	Confident	57 Å²	57	82.2 Å²	82.2	30%	0.298	41%	0.414	S	S	.	.	H	α-helix	trans	-81.4	-10.7	173.4	-66.7	175.6	0	0	0	112.2	A449 K450 S451 L455 Y456 N457	A449-L453 HydrophobicContact CB-CB 4.1Å; A449-L453 HydrophobicContact CB-CD1 4.38Å; K450-L453 HydrophobicContact CB-CD1 4.32Å; K450-L453 HydrophobicContact CB-CG 4.47Å; K450-L453 WeakPolarHBondContact O-CB 3.43Å; K450-L453 PolarHBondContact O-N 3.39Å; S451-L453 VanDerWaalsContact C-N 3.31Å; S451-L453 PolarHBondContact O-N 3.48Å; L453-L455 PolarHBondContact O-N 3.21Å; L453-Y456 PolarHBondContact O-N 3Å; L453-N457 VanDerWaalsContact O-CB 3.3Å; L453-N457 WeakPolarHBondContact O-CB 3.47Å; L453-N457 PolarHBondContact O-N 2.88Å; L453-N457 PolarHBondContact O-ND2 3Å
454	L	78.2	Confident	77.6	Confident	117 Å²	117	82 Å²	82	61%	0.613	41%	0.413	S	S	*	.	H	α-helix	trans	-61.6	-44	-177.5	-172.1	65.1	0	0	0	111.8	S451 Y452 N457 Y458	S451-L454 WeakPolarHBondContact O-CB 3.29Å; S451-L454 PolarHBondContact O-N 3.1Å; Y452-L454 VanDerWaalsContact C-N 3.29Å; L454-N457 PolarHBondContact O-N 2.96Å; L454-Y458 WeakPolarHBondContact O-CB 3.27Å; L454-Y458 PolarHBondContact O-N 3.3Å
455	L	79.2	Confident	78.4	Confident	114 Å²	114	84.4 Å²	84.4	60%	0.597	43%	0.433	S	S	*	.	H	α-helix	trans	-67.4	-42.8	178.7	-173.8	61.4	0	0	0	111.7	L453 Y458 H459	L453-L455 PolarHBondContact O-N 3.21Å; L455-Y458 WeakPolarHBondContact O-CB 3.47Å; L455-Y458 PolarHBondContact O-N 3.08Å; L455-H459 PolarHBondContact O-CD2 3.05Å; L455-H459 PolarHBondContact O-N 2.87Å
456	Y	82	Confident	79.7	Confident	118 Å²	118	85.4 Å²	85.4	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-63.3	-43	175.9	-175.2	-118.8	0	0	0	112.1	F442 L453 Y458 H459 I460	F442-Y456 HydrophobicContact CD2-CD1 4.47Å; F442-Y456 AromaticContact CD2-CE1 3.62Å; F442-Y456 HydrophobicContact CD2-CE1 3.62Å; F442-Y456 HydrophobicContact CE1-CE1 4.38Å; F442-Y456 AromaticContact CE2-CD1 3.59Å; F442-Y456 HydrophobicContact CE2-CD1 3.59Å; F442-Y456 AromaticContact CE2-CE1 3.14Å; F442-Y456 HydrophobicContact CE2-CE1 3.14Å; F442-Y456 HydrophobicContact CG-CE1 4.4Å; F442-Y456 AromaticContact CZ-CD1 3.61Å; F442-Y456 HydrophobicContact CZ-CD1 3.61Å; F442-Y456 AromaticContact CZ-CE1 3.53Å; F442-Y456 HydrophobicContact CZ-CE1 3.53Å; L453-Y456 PolarHBondContact O-N 3Å; Y456-Y458 VanDerWaalsContact C-N 3.33Å; Y456-Y458 PolarHBondContact O-N 3.48Å; Y456-H459 PolarHBondContact O-N 3.02Å; Y456-I460 HydrophobicContact CD1-CD1 4.03Å; Y456-I460 HydrophobicContact CD2-CD1 4.32Å; Y456-I460 HydrophobicContact CE1-CD1 3.5Å; Y456-I460 VanDerWaalsContact CE1-CD1 3.5Å; Y456-I460 HydrophobicContact CE2-CD1 3.78Å; Y456-I460 HydrophobicContact CE2-CG1 4.41Å; Y456-I460 HydrophobicContact CG-CD1 4.43Å; Y456-I460 WeakPolarHBondContact O-CG1 3.46Å; Y456-I460 PolarHBondContact O-N 3.28Å
457	N	85	Confident	81.3	Confident	7 Å²	7	80.5 Å²	80.5	4%	0.037	41%	0.41	C	S	.	.	H	α-helix	trans	-59.3	-44.8	172.6	-74.2	-27.5	0	0	0	111.2	F442 L453 L454 H459 I460 M461	F442-N457 VanDerWaalsContact CZ-OD1 3.28Å; F442-N457 WeakPolarHBondContact CZ-OD1 3.44Å; L453-N457 VanDerWaalsContact O-CB 3.3Å; L453-N457 WeakPolarHBondContact O-CB 3.47Å; L453-N457 PolarHBondContact O-N 2.88Å; L453-N457 PolarHBondContact O-ND2 3Å; L454-N457 PolarHBondContact O-N 2.96Å; N457-H459 PolarHBondContact O-N 2.91Å; N457-I460 PolarHBondContact O-N 2.83Å; N457-M461 WeakPolarHBondContact O-CB 3.37Å; N457-M461 WeakPolarHBondContact O-CG 3.23Å; N457-M461 PolarHBondContact O-N 3.1Å
458	Y	86.4	Confident	83.4	Confident	138 Å²	138	71.6 Å²	71.6	54%	0.541	37%	0.372	S	S	.	.	H	α-helix	trans	-58.1	-46.8	177.8	173.2	-95.8	0	0	0	111.9	L454 L455 Y456 I460 M461 R462	L454-Y458 WeakPolarHBondContact O-CB 3.27Å; L454-Y458 PolarHBondContact O-N 3.3Å; L455-Y458 WeakPolarHBondContact O-CB 3.47Å; L455-Y458 PolarHBondContact O-N 3.08Å; Y456-Y458 VanDerWaalsContact C-N 3.33Å; Y456-Y458 PolarHBondContact O-N 3.48Å; Y458-I460 VanDerWaalsContact C-N 3.35Å; Y458-I460 PolarHBondContact O-N 2.96Å; Y458-M461 PolarHBondContact O-N 2.87Å; Y458-R462 WeakPolarHBondContact O-CB 3.47Å; Y458-R462 PolarHBondContact O-N 2.91Å
459	H	87.7	Confident	85.4	Confident	73 Å²	73	75.5 Å²	75.5	34%	0.338	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-44.6	176.7	-73.2	-62	0	0	0	112	L455 Y456 N457 R462 E463	L455-H459 PolarHBondContact O-CD2 3.05Å; L455-H459 PolarHBondContact O-N 2.87Å; Y456-H459 PolarHBondContact O-N 3.02Å; N457-H459 PolarHBondContact O-N 2.91Å; H459-R462 WeakPolarHBondContact O-CB 3.28Å; H459-R462 PolarHBondContact O-N 3.39Å; H459-E463 WeakPolarHBondContact O-CG 3.15Å; H459-E463 PolarHBondContact O-N 2.77Å
460	I	91.1	Very high	87.1	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.015	38%	0.375	C	S	.	.	H	α-helix	trans	-67.9	-41.4	-179.8	-66.3	-179.8	0	0	0	111.5	Y420 F442 Y456 N457 Y458 R462 E463 V464	Y420-I460 HydrophobicContact CD1-CG2 4.24Å; Y420-I460 HydrophobicContact CE1-CG1 4.3Å; Y420-I460 HydrophobicContact CE1-CG2 4.18Å; F442-I460 HydrophobicContact CB-CD1 4.48Å; F442-I460 HydrophobicContact CD1-CB 4.24Å; F442-I460 HydrophobicContact CD1-CD1 3.22Å; F442-I460 HydrophobicContact CD1-CG1 4.26Å; F442-I460 HydrophobicContact CD1-CG2 3.73Å; F442-I460 HydrophobicContact CD2-CD1 4.08Å; F442-I460 HydrophobicContact CE1-CB 3.91Å; F442-I460 HydrophobicContact CE1-CD1 3.18Å; F442-I460 HydrophobicContact CE1-CG1 4.07Å; F442-I460 HydrophobicContact CE1-CG2 3.82Å; F442-I460 HydrophobicContact CE2-CD1 4.1Å; F442-I460 HydrophobicContact CG-CD1 3.65Å; F442-I460 HydrophobicContact CZ-CD1 3.62Å; Y456-I460 HydrophobicContact CD1-CD1 4.03Å; Y456-I460 HydrophobicContact CD2-CD1 4.32Å; Y456-I460 HydrophobicContact CE1-CD1 3.5Å; Y456-I460 VanDerWaalsContact CE1-CD1 3.5Å; Y456-I460 HydrophobicContact CE2-CD1 3.78Å; Y456-I460 HydrophobicContact CE2-CG1 4.41Å; Y456-I460 HydrophobicContact CG-CD1 4.43Å; Y456-I460 WeakPolarHBondContact O-CG1 3.46Å; Y456-I460 PolarHBondContact O-N 3.28Å; N457-I460 PolarHBondContact O-N 2.83Å; Y458-I460 VanDerWaalsContact C-N 3.35Å; Y458-I460 PolarHBondContact O-N 2.96Å; I460-R462 VanDerWaalsContact C-N 3.26Å; I460-R462 PolarHBondContact O-N 2.8Å; I460-E463 PolarHBondContact O-N 2.84Å; I460-V464 HydrophobicContact CG2-CG2 4.13Å; I460-V464 WeakPolarHBondContact O-CB 3.2Å; I460-V464 VanDerWaalsContact O-CG2 3.24Å; I460-V464 WeakPolarHBondContact O-CG2 3.28Å; I460-V464 PolarHBondContact O-N 2.86Å
461	M	91.4	Very high	88.4	Confident	59 Å²	59	72.7 Å²	72.7	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-55.7	-43.6	172.8	-74.9	-61.8	-59.2	0	0	111.6	Q432 S444 N457 Y458 V464 A465	Q432-M461 VanDerWaalsContact NE2-CE 3.27Å; Q432-M461 PolarHBondContact NE2-SD 2.83Å; S444-M461 WeakPolarHBondContact CB-SD 3.44Å; S444-M461 PolarHBondContact OG-SD 2.89Å; N457-M461 WeakPolarHBondContact O-CB 3.37Å; N457-M461 WeakPolarHBondContact O-CG 3.23Å; N457-M461 PolarHBondContact O-N 3.1Å; Y458-M461 PolarHBondContact O-N 2.87Å; M461-V464 PolarHBondContact O-N 3.5Å; M461-A465 WeakPolarHBondContact O-CB 3.24Å; M461-A465 PolarHBondContact O-N 2.8Å
462	R	93.1	Very high	90	Very high	109 Å²	109	72.9 Å²	72.9	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-44.8	177.7	-169.4	-176.7	70.6	-179.2	3.4	111.9	Y458 H459 I460 A465 N466	Y458-R462 WeakPolarHBondContact O-CB 3.47Å; Y458-R462 PolarHBondContact O-N 2.91Å; H459-R462 WeakPolarHBondContact O-CB 3.28Å; H459-R462 PolarHBondContact O-N 3.39Å; I460-R462 VanDerWaalsContact C-N 3.26Å; I460-R462 PolarHBondContact O-N 2.8Å; R462-A465 PolarHBondContact O-N 2.76Å; R462-N466 PolarHBondContact O-N 2.78Å; R462-N466 PolarHBondContact O-ND2 2.9Å
463	E	95.6	Very high	91.5	Very high	51 Å²	51	68 Å²	68	24%	0.238	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-37.2	177.7	-65	-46.2	136.2	0	0	112.6	Y420 H459 I460 N466 A467	Y420-E463 HydrophobicContact CD1-CB 3.79Å; Y420-E463 HydrophobicContact CD2-CB 3.89Å; Y420-E463 HydrophobicContact CE1-CB 3.85Å; Y420-E463 HydrophobicContact CE1-CG 4.44Å; Y420-E463 HydrophobicContact CE2-CB 3.96Å; Y420-E463 HydrophobicContact CE2-CG 4.29Å; Y420-E463 HydrophobicContact CG-CB 3.8Å; H459-E463 WeakPolarHBondContact O-CG 3.15Å; H459-E463 PolarHBondContact O-N 2.77Å; I460-E463 PolarHBondContact O-N 2.84Å; E463-N466 PolarHBondContact O-N 2.89Å; E463-A467 WeakPolarHBondContact O-CB 3.44Å; E463-A467 PolarHBondContact O-N 2.78Å
464	V	96.2	Very high	92.6	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-61.2	-48.7	171.6	172.9	0	0	0	0	110.3	Y420 Q422 Q432 I460 M461 N466 A467 V468	Y420-V464 HydrophobicContact CD1-CG2 4.17Å; Q422-V464 HydrophobicContact CB-CG1 4.29Å; Q432-V464 HydrophobicContact CB-CG1 4Å; I460-V464 HydrophobicContact CG2-CG2 4.13Å; I460-V464 WeakPolarHBondContact O-CB 3.2Å; I460-V464 VanDerWaalsContact O-CG2 3.24Å; I460-V464 WeakPolarHBondContact O-CG2 3.28Å; I460-V464 PolarHBondContact O-N 2.86Å; M461-V464 PolarHBondContact O-N 3.5Å; V464-N466 VanDerWaalsContact C-N 3.3Å; V464-N466 PolarHBondContact O-N 2.88Å; V464-A467 PolarHBondContact O-N 3.03Å; V464-A467 VanDerWaalsContact O-N 3.15Å; V464-V468 HydrophobicContact CG1-CG2 4.13Å; V464-V468 WeakPolarHBondContact O-CB 3.3Å; V464-V468 VanDerWaalsContact O-CG2 3.25Å; V464-V468 WeakPolarHBondContact O-CG2 3.22Å; V464-V468 PolarHBondContact O-N 3.43Å
465	A	96.1	Very high	93.6	Very high	56 Å²	56	61.1 Å²	61.1	46%	0.463	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-40.8	178	0	0	0	0	0	112.3	M461 R462 K469	M461-A465 WeakPolarHBondContact O-CB 3.24Å; M461-A465 PolarHBondContact O-N 2.8Å; R462-A465 PolarHBondContact O-N 2.76Å; A465-K469 WeakPolarHBondContact O-CB 3.13Å; A465-K469 PolarHBondContact O-N 3.05Å
466	N	97.7	Very high	94.5	Very high	69 Å²	69	60.7 Å²	60.7	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-44.2	174.7	-70.3	-20.8	0	0	0	112.1	R462 E463 V464 K469 R470	R462-N466 PolarHBondContact O-N 2.78Å; R462-N466 PolarHBondContact O-ND2 2.9Å; E463-N466 PolarHBondContact O-N 2.89Å; V464-N466 VanDerWaalsContact C-N 3.3Å; V464-N466 PolarHBondContact O-N 2.88Å; N466-K469 PolarHBondContact O-N 3.43Å; N466-R470 PolarHBondContact O-N 3.14Å; N466-R470 VanDerWaalsContact O-N 3.07Å
467	A	97.9	Very high	95.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-42.3	178.9	0	0	0	0	0	112	Y397 Y420 E463 V464 R470 A471	Y397-A467 HydrophobicContact CE1-CB 4.18Å; Y420-A467 WeakPolarHBondContact O-CB 3.37Å; E463-A467 WeakPolarHBondContact O-CB 3.44Å; E463-A467 PolarHBondContact O-N 2.78Å; V464-A467 PolarHBondContact O-N 3.03Å; V464-A467 VanDerWaalsContact O-N 3.15Å; A467-R470 PolarHBondContact O-N 3.32Å; A467-A471 VanDerWaalsContact O-CB 3.3Å; A467-A471 WeakPolarHBondContact O-CB 3.37Å; A467-A471 PolarHBondContact O-N 2.95Å
468	V	97.9	Very high	95.9	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-47.6	174.6	164.3	0	0	0	0	111.3	E409 Q422 V464 R470 A471 R472	E409-V468 HydrophobicContact CB-CG2 4.26Å; E409-V468 VanDerWaalsContact OE2-CG1 3.22Å; E409-V468 WeakPolarHBondContact OE2-CG1 3.28Å; Q422-V468 HydrophobicContact CB-CG2 4.33Å; Q422-V468 VanDerWaalsContact CD-CG2 3.48Å; Q422-V468 HydrophobicContact CG-CG2 3.59Å; V464-V468 HydrophobicContact CG1-CG2 4.13Å; V464-V468 WeakPolarHBondContact O-CB 3.3Å; V464-V468 VanDerWaalsContact O-CG2 3.25Å; V464-V468 WeakPolarHBondContact O-CG2 3.22Å; V464-V468 PolarHBondContact O-N 3.43Å; V468-R470 VanDerWaalsContact C-N 3.3Å; V468-R470 PolarHBondContact O-N 3.39Å; V468-A471 PolarHBondContact O-N 3.04Å; V468-R472 WeakPolarHBondContact O-CG 3.5Å; V468-R472 PolarHBondContact O-N 3.09Å
469	K	98.3	Very high	96.3	Very high	159 Å²	159	55.9 Å²	55.9	69%	0.691	27%	0.27	S	S	*	.	H	α-helix	trans	-58.6	-43.6	177.9	-176	179.7	178.8	-178.9	0	111.6	A465 N466 S473	A465-K469 WeakPolarHBondContact O-CB 3.13Å; A465-K469 PolarHBondContact O-N 3.05Å; N466-K469 PolarHBondContact O-N 3.43Å; K469-S473 WeakPolarHBondContact O-CB 3.23Å; K469-S473 PolarHBondContact O-N 2.95Å; K469-S473 VanDerWaalsContact O-N 3.1Å
470	R	98.4	Very high	96.7	Very high	110 Å²	110	57.4 Å²	57.4	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-44.5	175.6	-74.3	-169.3	-66.6	-134.4	-4.9	112.1	Y397 N466 A467 V468 R472 S473 I474	Y397-R470 HydrophobicContact CD1-CB 3.89Å; Y397-R470 HydrophobicContact CE1-CB 4.19Å; Y397-R470 VanDerWaalsContact CE1-NE 3.33Å; Y397-R470 HydrophobicContact CG-CB 4.1Å; Y397-R470 PolarHBondContact OH-NE 3.06Å; Y397-R470 PolarHBondContact OH-NH2 2.89Å; N466-R470 PolarHBondContact O-N 3.14Å; N466-R470 VanDerWaalsContact O-N 3.07Å; A467-R470 PolarHBondContact O-N 3.32Å; V468-R470 VanDerWaalsContact C-N 3.3Å; V468-R470 PolarHBondContact O-N 3.39Å; R470-R472 PolarHBondContact O-N 3.45Å; R470-S473 PolarHBondContact O-N 2.88Å; R470-I474 WeakPolarHBondContact O-CB 3.48Å; R470-I474 WeakPolarHBondContact O-CG1 3.36Å; R470-I474 PolarHBondContact O-N 3.44Å
471	A	98.4	Very high	96.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-44.7	179	0	0	0	0	0	112.1	V399 A467 V468 I474 A475	V399-A471 HydrophobicContact CG2-CB 4.3Å; A467-A471 VanDerWaalsContact O-CB 3.3Å; A467-A471 WeakPolarHBondContact O-CB 3.37Å; A467-A471 PolarHBondContact O-N 2.95Å; V468-A471 PolarHBondContact O-N 3.04Å; A471-I474 PolarHBondContact O-N 2.96Å; A471-A475 VanDerWaalsContact O-CB 3.31Å; A471-A475 WeakPolarHBondContact O-CB 3.29Å; A471-A475 PolarHBondContact O-N 2.76Å
472	R	98.2	Very high	96.9	Very high	114 Å²	114	56.2 Å²	56.2	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-49.8	175.6	-71.6	-178.4	-178	177.9	-0.5	112.3	V399 E409 V468 R470 I474 A475 D476	V399-R472 HydrophobicContact CG2-CG 4.37Å; E409-R472 VanDerWaalsContact CD-NH2 3.33Å; E409-R472 IonicContact OE1-CZ 2.61Å; E409-R472 VanDerWaalsContact OE1-CZ 3.32Å; E409-R472 IonicContact OE1-NE 2.81Å; E409-R472 PolarHBondContact OE1-NE 3.29Å; E409-R472 IonicContact OE1-NH2 3.59Å; E409-R472 PolarHBondContact OE1-NH2 3.41Å; E409-R472 IonicContact OE2-CZ 3.51Å; E409-R472 IonicContact OE2-NE 3.06Å; E409-R472 PolarHBondContact OE2-NE 3.01Å; E409-R472 IonicContact OE2-NH2 3.79Å; E409-R472 PolarHBondContact OE2-NH2 2.85Å; V468-R472 WeakPolarHBondContact O-CG 3.5Å; V468-R472 PolarHBondContact O-N 3.09Å; R470-R472 PolarHBondContact O-N 3.45Å; R472-I474 VanDerWaalsContact C-N 3.28Å; R472-I474 PolarHBondContact O-N 3.2Å; R472-A475 WeakPolarHBondContact O-CB 3.26Å; R472-A475 PolarHBondContact O-N 3.33Å; R472-A475 VanDerWaalsContact O-N 3.09Å; R472-D476 VanDerWaalsContact O-CG 3.23Å; R472-D476 PolarHBondContact O-N 2.92Å
473	S	98.4	Very high	96.8	Very high	61 Å²	61	54.9 Å²	54.9	43%	0.427	28%	0.277	S	S	.	.	H	α-helix	trans	-55.2	-44.8	177	-174	0	0	0	0	112.1	K469 R470 D476 D477	K469-S473 WeakPolarHBondContact O-CB 3.23Å; K469-S473 PolarHBondContact O-N 2.95Å; K469-S473 VanDerWaalsContact O-N 3.1Å; R470-S473 PolarHBondContact O-N 2.88Å; S473-D476 PolarHBondContact O-N 3.46Å; S473-D477 PolarHBondContact O-N 3.07Å
474	I	98.4	Very high	96.6	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.128	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-35.3	179.4	-77.9	165.3	0	0	0	111.8	L151 Q388 Y397 R470 A471 R472 A478	L151-I474 HydrophobicContact CD2-CG2 3.81Å; Q388-I474 HydrophobicContact CG-CG2 3.89Å; Y397-I474 HydrophobicContact CD2-CD1 3.99Å; Y397-I474 HydrophobicContact CG-CD1 4.17Å; Y397-I474 WeakPolarHBondContact O-CG2 3.34Å; R470-I474 WeakPolarHBondContact O-CB 3.48Å; R470-I474 WeakPolarHBondContact O-CG1 3.36Å; R470-I474 PolarHBondContact O-N 3.44Å; A471-I474 PolarHBondContact O-N 2.96Å; R472-I474 VanDerWaalsContact C-N 3.28Å; R472-I474 PolarHBondContact O-N 3.2Å; I474-A478 VanDerWaalsContact O-CB 3.32Å; I474-A478 WeakPolarHBondContact O-CB 3.3Å; I474-A478 PolarHBondContact O-N 2.83Å
475	A	98.2	Very high	96.3	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-43	173.8	0	0	0	0	0	111.3	A386 V399 A471 R472 D477 A478 F479	A386-A475 HydrophobicContact CB-CB 3.88Å; V399-A475 HydrophobicContact CB-CB 3.85Å; V399-A475 HydrophobicContact CG2-CB 3.65Å; A471-A475 VanDerWaalsContact O-CB 3.31Å; A471-A475 WeakPolarHBondContact O-CB 3.29Å; A471-A475 PolarHBondContact O-N 2.76Å; R472-A475 WeakPolarHBondContact O-CB 3.26Å; R472-A475 PolarHBondContact O-N 3.33Å; R472-A475 VanDerWaalsContact O-N 3.09Å; A475-D477 PolarHBondContact O-N 3.16Å; A475-A478 PolarHBondContact O-N 3.2Å; A475-F479 WeakPolarHBondContact O-CD2 3.45Å; A475-F479 PolarHBondContact O-N 2.96Å
476	D	98.2	Very high	95.8	Very high	106 Å²	106	61.1 Å²	61.1	57%	0.567	30%	0.296	S	S	*	.	H	α-helix	trans	-60	-45.5	175.5	-63.9	-25.8	0	0	0	110.9	R472 S473 A478 F479 L480	R472-D476 VanDerWaalsContact O-CG 3.23Å; R472-D476 PolarHBondContact O-N 2.92Å; S473-D476 PolarHBondContact O-N 3.46Å; D476-A478 VanDerWaalsContact C-N 3.35Å; D476-A478 PolarHBondContact O-N 2.99Å; D476-F479 PolarHBondContact O-N 3.11Å; D476-L480 WeakPolarHBondContact O-CB 3.44Å; D476-L480 PolarHBondContact O-N 2.84Å
477	D	98.2	Very high	95.2	Very high	77 Å²	77	64.4 Å²	64.4	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-41.8	174.9	-67	-26.5	0	0	0	111.5	L151 S473 A475 L480 L481	L151-D477 HydrophobicContact CD1-CB 3.93Å; S473-D477 PolarHBondContact O-N 3.07Å; A475-D477 PolarHBondContact O-N 3.16Å; D477-L480 PolarHBondContact O-N 2.81Å; D477-L481 VanDerWaalsContact O-CB 3.32Å; D477-L481 WeakPolarHBondContact O-CB 3.25Å; D477-L481 PolarHBondContact O-N 3.1Å
478	A	97.6	Very high	94.5	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-39.1	177.1	0	0	0	0	0	112.4	L151 V153 A386 I474 A475 D476 G482	L151-A478 HydrophobicContact CB-CB 4.33Å; V153-A478 HydrophobicContact CG2-CB 4.12Å; V153-A478 WeakPolarHBondContact CG2-O 3.4Å; A386-A478 HydrophobicContact CB-CB 4.41Å; I474-A478 VanDerWaalsContact O-CB 3.32Å; I474-A478 WeakPolarHBondContact O-CB 3.3Å; I474-A478 PolarHBondContact O-N 2.83Å; A475-A478 PolarHBondContact O-N 3.2Å; D476-A478 VanDerWaalsContact C-N 3.35Å; D476-A478 PolarHBondContact O-N 2.99Å; A478-G482 PolarHBondContact O-N 3.03Å
479	F	96.4	Very high	94.1	Very high	84 Å²	84	67.3 Å²	67.3	37%	0.368	33%	0.326	S	S	.	.	H	α-helix	trans	-66.8	-43.2	174.1	-82.6	-65.2	0	0	0	112.1	V153 T384 A386 A475 D476 L481 G482 N483	V153-F479 HydrophobicContact CG1-CD1 4.33Å; V153-F479 HydrophobicContact CG1-CE1 3.86Å; V153-F479 HydrophobicContact CG1-CZ 4.44Å; V153-F479 HydrophobicContact CG2-CD1 3.93Å; V153-F479 HydrophobicContact CG2-CE1 4.22Å; V153-F479 HydrophobicContact CG2-CG 4.3Å; T384-F479 HydrophobicContact CG2-CE1 4.47Å; T384-F479 HydrophobicContact CG2-CZ 4.27Å; A386-F479 HydrophobicContact CB-CD2 3.86Å; A386-F479 HydrophobicContact CB-CE1 4.47Å; A386-F479 HydrophobicContact CB-CE2 3.43Å; A386-F479 VanDerWaalsContact CB-CE2 3.43Å; A386-F479 HydrophobicContact CB-CZ 3.78Å; A475-F479 WeakPolarHBondContact O-CD2 3.45Å; A475-F479 PolarHBondContact O-N 2.96Å; D476-F479 PolarHBondContact O-N 3.11Å; F479-L481 VanDerWaalsContact C-N 3.31Å; F479-L481 PolarHBondContact O-N 2.85Å; F479-G482 PolarHBondContact O-N 3.18Å; F479-N483 WeakPolarHBondContact O-CB 3.46Å; F479-N483 VanDerWaalsContact O-CG 3.24Å; F479-N483 PolarHBondContact O-N 3.19Å; F479-N483 PolarHBondContact O-ND2 2.81Å
480	L	95.3	Very high	93.7	Very high	106 Å²	106	65.1 Å²	65.1	56%	0.555	32%	0.322	S	S	*	.	H	α-helix	trans	-58	-47.6	175.4	178.8	62.1	0	0	0	110.5	D476 D477 N483 M484	D476-L480 WeakPolarHBondContact O-CB 3.44Å; D476-L480 PolarHBondContact O-N 2.84Å; D477-L480 PolarHBondContact O-N 2.81Å; L480-N483 PolarHBondContact O-N 2.69Å; L480-M484 WeakPolarHBondContact O-CG 3.33Å; L480-M484 PolarHBondContact O-N 2.81Å
481	L	94.2	Very high	93.4	Very high	31 Å²	31	66.3 Å²	66.3	16%	0.162	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-43.9	178.3	-170.1	66.2	0	0	0	111.9	E142 L151 D477 F479 N483 M484 F485	E142-L481 HydrophobicContact CG-CD2 3.8Å; L151-L481 HydrophobicContact CB-CD2 3.91Å; D477-L481 VanDerWaalsContact O-CB 3.32Å; D477-L481 WeakPolarHBondContact O-CB 3.25Å; D477-L481 PolarHBondContact O-N 3.1Å; F479-L481 VanDerWaalsContact C-N 3.31Å; F479-L481 PolarHBondContact O-N 2.85Å; L481-N483 VanDerWaalsContact C-N 3.31Å; L481-N483 PolarHBondContact O-N 2.8Å; L481-M484 WeakPolarHBondContact O-CB 3.19Å; L481-M484 PolarHBondContact O-N 2.87Å; L481-F485 HydrophobicContact CD1-CE1 4.13Å; L481-F485 HydrophobicContact CD1-CE2 3.92Å; L481-F485 HydrophobicContact CD1-CZ 3.53Å; L481-F485 HydrophobicContact CD2-CE2 3.78Å; L481-F485 HydrophobicContact CD2-CZ 3.96Å; L481-F485 HydrophobicContact CG-CD2 4.14Å; L481-F485 HydrophobicContact CG-CE1 4.47Å; L481-F485 HydrophobicContact CG-CE2 3.38Å; L481-F485 HydrophobicContact CG-CZ 3.55Å; L481-F485 VanDerWaalsContact O-CD2 3.23Å; L481-F485 WeakPolarHBondContact O-CD2 3.4Å; L481-F485 WeakPolarHBondContact O-CG 3.17Å; L481-F485 PolarHBondContact O-N 3.16Å
482	G	92.1	Very high	93.2	Very high	5 Å²	5	66.5 Å²	66.5	5%	0.052	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-38.2	174.6	0	0	0	0	0	113.1	A478 F479 F485 K486	A478-G482 PolarHBondContact O-N 3.03Å; F479-G482 PolarHBondContact O-N 3.18Å; G482-F485 PolarHBondContact O-N 2.82Å; G482-K486 WeakPolarHBondContact O-CG 3.27Å; G482-K486 PolarHBondContact O-N 3.28Å
483	N	91.4	Very high	93	Very high	81 Å²	81	65 Å²	65	43%	0.433	33%	0.329	S	S	.	.	H	α-helix	trans	-69.5	-41.6	175.6	-71	-17.5	0	0	0	111.9	F479 L480 L481 F485 K486 E487	F479-N483 WeakPolarHBondContact O-CB 3.46Å; F479-N483 VanDerWaalsContact O-CG 3.24Å; F479-N483 PolarHBondContact O-N 3.19Å; F479-N483 PolarHBondContact O-ND2 2.81Å; L480-N483 PolarHBondContact O-N 2.69Å; L481-N483 VanDerWaalsContact C-N 3.31Å; L481-N483 PolarHBondContact O-N 2.8Å; N483-F485 VanDerWaalsContact C-N 3.25Å; N483-F485 PolarHBondContact O-N 2.98Å; N483-K486 WeakPolarHBondContact O-CB 3.22Å; N483-K486 PolarHBondContact O-N 3.24Å; N483-K486 VanDerWaalsContact O-N 3.14Å; N483-E487 PolarHBondContact O-N 2.93Å
484	M	90.9	Very high	92.9	Very high	98 Å²	98	67 Å²	67	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-58.5	-38.4	172.7	-71.1	177.6	61.4	0	0	111.9	L480 L481 E487 C488	L480-M484 WeakPolarHBondContact O-CG 3.33Å; L480-M484 PolarHBondContact O-N 2.81Å; L481-M484 WeakPolarHBondContact O-CB 3.19Å; L481-M484 PolarHBondContact O-N 2.87Å; M484-E487 PolarHBondContact O-N 3.42Å; M484-C488 PolarHBondContact O-N 2.94Å; M484-C488 PolarHBondContact O-SG 3.27Å
485	F	89.4	Confident	92.8	Very high	19 Å²	19	66.2 Å²	66.2	8%	0.083	33%	0.333	C	S	.	.	H	α-helix	trans	-69.8	-36.3	175.9	-63.1	-38	0	0	0	112.9	F128 L481 G482 N483 E487 C488 L489	F128-F485 HydrophobicContact CB-CD1 4.24Å; F128-F485 HydrophobicContact CB-CE1 3.52Å; F128-F485 HydrophobicContact CB-CE2 4.07Å; F128-F485 HydrophobicContact CB-CZ 3.43Å; F128-F485 VanDerWaalsContact CB-CZ 3.43Å; F128-F485 AromaticContact CD2-CD1 3.74Å; F128-F485 HydrophobicContact CD2-CD1 3.74Å; F128-F485 AromaticContact CD2-CE1 3.4Å; F128-F485 HydrophobicContact CD2-CE1 3.4Å; F128-F485 VanDerWaalsContact CD2-CE1 3.4Å; F128-F485 HydrophobicContact CD2-CZ 4.23Å; F128-F485 HydrophobicContact CE2-CE1 4.22Å; F128-F485 HydrophobicContact CG-CD1 4.36Å; F128-F485 AromaticContact CG-CE1 3.66Å; F128-F485 HydrophobicContact CG-CE1 3.66Å; F128-F485 HydrophobicContact CG-CZ 4.04Å; L481-F485 HydrophobicContact CD1-CE1 4.13Å; L481-F485 HydrophobicContact CD1-CE2 3.92Å; L481-F485 HydrophobicContact CD1-CZ 3.53Å; L481-F485 HydrophobicContact CD2-CE2 3.78Å; L481-F485 HydrophobicContact CD2-CZ 3.96Å; L481-F485 HydrophobicContact CG-CD2 4.14Å; L481-F485 HydrophobicContact CG-CE1 4.47Å; L481-F485 HydrophobicContact CG-CE2 3.38Å; L481-F485 HydrophobicContact CG-CZ 3.55Å; L481-F485 VanDerWaalsContact O-CD2 3.23Å; L481-F485 WeakPolarHBondContact O-CD2 3.4Å; L481-F485 WeakPolarHBondContact O-CG 3.17Å; L481-F485 PolarHBondContact O-N 3.16Å; G482-F485 PolarHBondContact O-N 2.82Å; N483-F485 VanDerWaalsContact C-N 3.25Å; N483-F485 PolarHBondContact O-N 2.98Å; F485-E487 VanDerWaalsContact C-N 3.29Å; F485-E487 PolarHBondContact O-N 2.93Å; F485-C488 CarbonylContact O-C 2.98Å; F485-C488 WeakPolarHBondContact O-CA 3.23Å; F485-C488 WeakPolarHBondContact O-CB 3.24Å; F485-C488 PolarHBondContact O-N 2.96Å; F485-C488 VanDerWaalsContact O-N 3.09Å; F485-L489 PolarHBondContact O-N 3.41Å
486	K	86.1	Confident	92.7	Very high	123 Å²	123	66.2 Å²	66.2	54%	0.535	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-37.1	171.2	-72.5	175	-178.4	176.1	0	112	G482 N483 C488 L489	G482-K486 WeakPolarHBondContact O-CG 3.27Å; G482-K486 PolarHBondContact O-N 3.28Å; N483-K486 WeakPolarHBondContact O-CB 3.22Å; N483-K486 PolarHBondContact O-N 3.24Å; N483-K486 VanDerWaalsContact O-N 3.14Å; K486-C488 VanDerWaalsContact C-N 3.32Å; K486-L489 VanDerWaalsContact O-CB 3.27Å; K486-L489 WeakPolarHBondContact O-CB 3.34Å; K486-L489 PolarHBondContact O-N 3.49Å
487	E	84.4	Confident	92.6	Very high	138 Å²	138	65.6 Å²	65.6	65%	0.645	33%	0.326	S	S	*	.	H	α-helix	trans	-67	-35.8	172.6	-67.9	175.6	-178.5	0	0	112	N483 M484 F485 L489 N490	N483-E487 PolarHBondContact O-N 2.93Å; M484-E487 PolarHBondContact O-N 3.42Å; F485-E487 VanDerWaalsContact C-N 3.29Å; F485-E487 PolarHBondContact O-N 2.93Å; E487-L489 PolarHBondContact O-N 2.77Å; E487-N490 PolarHBondContact O-N 3.5Å
488	C	84.9	Confident	92.6	Very high	35 Å²	35	65.8 Å²	65.8	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-20.3	174	-65	0	0	0	0	113	M484 F485 K486 N490 K491 V492	M484-C488 PolarHBondContact O-N 2.94Å; M484-C488 PolarHBondContact O-SG 3.27Å; F485-C488 CarbonylContact O-C 2.98Å; F485-C488 WeakPolarHBondContact O-CA 3.23Å; F485-C488 WeakPolarHBondContact O-CB 3.24Å; F485-C488 PolarHBondContact O-N 2.96Å; F485-C488 VanDerWaalsContact O-N 3.09Å; K486-C488 VanDerWaalsContact C-N 3.32Å; C488-N490 PolarHBondContact O-N 2.96Å; C488-K491 WeakPolarHBondContact O-CA 3.46Å; C488-K491 WeakPolarHBondContact O-CB 3.47Å; C488-K491 PolarHBondContact O-N 3.07Å; C488-V492 PolarHBondContact O-N 3.33Å; C488-V492 VanDerWaalsContact O-N 3.11Å
489	L	89.1	Confident	92.6	Very high	38 Å²	38	65.8 Å²	65.8	20%	0.199	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-29.8	173.5	-69	179.1	0	0	0	112.5	E118 V130 F485 K486 E487 K491 V492 E493	E118-L489 HydrophobicContact CB-CD2 3.47Å; E118-L489 VanDerWaalsContact CB-CD2 3.47Å; E118-L489 HydrophobicContact CG-CD2 4.42Å; E118-L489 WeakPolarHBondContact OE2-CD2 3.49Å; V130-L489 HydrophobicContact CG2-CD1 4.16Å; V130-L489 HydrophobicContact CG2-CD2 4.32Å; V130-L489 HydrophobicContact CG2-CG 4.42Å; F485-L489 PolarHBondContact O-N 3.41Å; K486-L489 VanDerWaalsContact O-CB 3.27Å; K486-L489 WeakPolarHBondContact O-CB 3.34Å; K486-L489 PolarHBondContact O-N 3.49Å; E487-L489 PolarHBondContact O-N 2.77Å; L489-K491 VanDerWaalsContact C-N 3.27Å; L489-K491 PolarHBondContact O-N 3.05Å; L489-V492 WeakPolarHBondContact O-CB 3.49Å; L489-V492 PolarHBondContact O-N 3.15Å; L489-E493 WeakPolarHBondContact O-CB 3.48Å; L489-E493 PolarHBondContact O-N 2.86Å
490	N	89.9	Confident	92.6	Very high	112 Å²	112	65.6 Å²	65.6	60%	0.599	33%	0.325	S	S	*	.	H	α-helix	trans	-63.2	-35.4	173.9	-67.6	-29.9	0	0	0	112	E487 C488 N494	E487-N490 PolarHBondContact O-N 3.5Å; C488-N490 PolarHBondContact O-N 2.96Å; N490-N494 WeakPolarHBondContact O-CB 3.48Å; N490-N494 PolarHBondContact O-N 2.9Å; N490-N494 VanDerWaalsContact O-N 3.08Å; N490-N494 PolarHBondContact O-ND2 3.31Å; N490-N494 VanDerWaalsContact O-ND2 3.16Å
491	K	91.6	Very high	92.7	Very high	136 Å²	136	66.9 Å²	66.9	59%	0.591	33%	0.326	S	S	*	.	H	α-helix	trans	-70.8	-40.3	174.7	-61.6	178.3	-178.3	171.2	0	111	C488 L489 N494 A495	C488-K491 WeakPolarHBondContact O-CA 3.46Å; C488-K491 WeakPolarHBondContact O-CB 3.47Å; C488-K491 PolarHBondContact O-N 3.07Å; L489-K491 VanDerWaalsContact C-N 3.27Å; L489-K491 PolarHBondContact O-N 3.05Å; K491-N494 PolarHBondContact O-N 3.44Å; K491-A495 WeakPolarHBondContact O-CB 3.34Å; K491-A495 PolarHBondContact O-N 3.48Å
492	V	94.6	Very high	92.8	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-48.2	175.5	176.5	0	0	0	0	110.1	G106 I107 E118 C488 L489 N494 A495 V496	G106-V492 WeakPolarHBondContact O-CG1 3.28Å; I107-V492 HydrophobicContact CD1-CG1 4.33Å; I107-V492 HydrophobicContact CG1-CG1 3.66Å; E118-V492 HydrophobicContact CB-CG1 4.29Å; C488-V492 PolarHBondContact O-N 3.33Å; C488-V492 VanDerWaalsContact O-N 3.11Å; L489-V492 WeakPolarHBondContact O-CB 3.49Å; L489-V492 PolarHBondContact O-N 3.15Å; V492-N494 PolarHBondContact O-N 3.46Å; V492-A495 WeakPolarHBondContact O-CB 3.24Å; V492-A495 PolarHBondContact O-N 2.94Å; V492-A495 VanDerWaalsContact O-N 3.15Å; V492-V496 HydrophobicContact CG1-CG2 4.42Å; V492-V496 VanDerWaalsContact O-CG2 3.28Å; V492-V496 WeakPolarHBondContact O-CG2 3.42Å; V492-V496 PolarHBondContact O-N 2.83Å
493	E	94.4	Very high	93.1	Very high	82 Å²	82	65.7 Å²	65.7	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-46.4	179.1	-174.9	56.2	-148.3	0	0	111.2	L489 A495 V496 Q497	L489-E493 WeakPolarHBondContact O-CB 3.48Å; L489-E493 PolarHBondContact O-N 2.86Å; E493-A495 VanDerWaalsContact C-N 3.32Å; E493-A495 PolarHBondContact O-N 3.39Å; E493-V496 WeakPolarHBondContact O-CB 3.45Å; E493-V496 PolarHBondContact O-N 2.83Å; E493-V496 VanDerWaalsContact O-N 3.11Å; E493-Q497 WeakPolarHBondContact O-CG 3.48Å; E493-Q497 PolarHBondContact O-N 2.94Å; E493-Q497 PolarHBondContact OE1-NE2 3.41Å
494	N	95.3	Very high	93.2	Very high	104 Å²	104	66.4 Å²	66.4	56%	0.556	32%	0.321	S	S	*	.	H	α-helix	trans	-58.6	-42.4	174.3	-73	-26.5	0	0	0	112.3	N490 K491 V492 V496 Q497 L498	N490-N494 WeakPolarHBondContact O-CB 3.48Å; N490-N494 PolarHBondContact O-N 2.9Å; N490-N494 VanDerWaalsContact O-N 3.08Å; N490-N494 PolarHBondContact O-ND2 3.31Å; N490-N494 VanDerWaalsContact O-ND2 3.16Å; K491-N494 PolarHBondContact O-N 3.44Å; V492-N494 PolarHBondContact O-N 3.46Å; N494-V496 VanDerWaalsContact C-N 3.31Å; N494-V496 PolarHBondContact O-N 2.78Å; N494-Q497 PolarHBondContact O-N 2.88Å; N494-L498 WeakPolarHBondContact O-CB 3.39Å; N494-L498 WeakPolarHBondContact O-CG 3.41Å; N494-L498 PolarHBondContact O-N 3.32Å
495	A	96.2	Very high	93.3	Very high	8 Å²	8	65.2 Å²	65.2	7%	0.066	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-36.4	176.4	0	0	0	0	0	112	Y84 K491 V492 E493 S499	Y84-A495 HydrophobicContact CD1-CB 4.47Å; Y84-A495 HydrophobicContact CE1-CB 4.06Å; K491-A495 WeakPolarHBondContact O-CB 3.34Å; K491-A495 PolarHBondContact O-N 3.48Å; V492-A495 WeakPolarHBondContact O-CB 3.24Å; V492-A495 PolarHBondContact O-N 2.94Å; V492-A495 VanDerWaalsContact O-N 3.15Å; E493-A495 VanDerWaalsContact C-N 3.32Å; E493-A495 PolarHBondContact O-N 3.39Å; A495-S499 VanDerWaalsContact O-CB 3.32Å; A495-S499 WeakPolarHBondContact O-CB 2.97Å; A495-S499 PolarHBondContact O-N 3.03Å; A495-S499 PolarHBondContact O-OG 2.77Å
496	V	96.3	Very high	93.6	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-45.4	175.5	172.4	0	0	0	0	110.9	M95 I107 V492 E493 N494 L498 S499 K500	M95-V496 HydrophobicContact CB-CG1 4.42Å; M95-V496 HydrophobicContact CB-CG2 4.41Å; M95-V496 HydrophobicContact CE-CG1 4.49Å; M95-V496 HydrophobicContact SD-CG1 4.32Å; I107-V496 HydrophobicContact CB-CG2 4.14Å; I107-V496 HydrophobicContact CD1-CG2 3.63Å; I107-V496 HydrophobicContact CG1-CG2 3.57Å; V492-V496 HydrophobicContact CG1-CG2 4.42Å; V492-V496 VanDerWaalsContact O-CG2 3.28Å; V492-V496 WeakPolarHBondContact O-CG2 3.42Å; V492-V496 PolarHBondContact O-N 2.83Å; E493-V496 WeakPolarHBondContact O-CB 3.45Å; E493-V496 PolarHBondContact O-N 2.83Å; E493-V496 VanDerWaalsContact O-N 3.11Å; N494-V496 VanDerWaalsContact C-N 3.31Å; N494-V496 PolarHBondContact O-N 2.78Å; V496-L498 VanDerWaalsContact C-N 3.35Å; V496-L498 PolarHBondContact O-N 3.36Å; V496-S499 WeakPolarHBondContact CA-OG 3.42Å; V496-S499 PolarHBondContact O-N 2.87Å; V496-S499 VanDerWaalsContact O-N 3.12Å; V496-S499 PolarHBondContact O-OG 3.28Å; V496-K500 HydrophobicContact CG1-CD 4.39Å; V496-K500 WeakPolarHBondContact O-CG 3.42Å; V496-K500 PolarHBondContact O-N 3.32Å
497	Q	97	Very high	93.8	Very high	93 Å²	93	63.5 Å²	63.5	44%	0.435	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-43	177.1	-65.1	-58.8	-29.4	0	0	111.8	E493 N494 S499 K500 K501	E493-Q497 WeakPolarHBondContact O-CG 3.48Å; E493-Q497 PolarHBondContact O-N 2.94Å; E493-Q497 PolarHBondContact OE1-NE2 3.41Å; N494-Q497 PolarHBondContact O-N 2.88Å; Q497-S499 VanDerWaalsContact C-N 3.32Å; Q497-S499 PolarHBondContact O-N 2.88Å; Q497-K500 PolarHBondContact O-N 2.79Å; Q497-K501 PolarHBondContact O-N 3.41Å; Q497-K501 VanDerWaalsContact O-N 3.1Å
498	L	97.7	Very high	94.1	Very high	81 Å²	81	60.3 Å²	60.3	42%	0.424	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-37.8	173	-70.2	174.4	0	0	0	112.1	Y84 N494 V496 K501 A502	Y84-L498 HydrophobicContact CD1-CB 3.81Å; Y84-L498 HydrophobicContact CD2-CB 4.18Å; Y84-L498 HydrophobicContact CE1-CB 4.04Å; Y84-L498 HydrophobicContact CE1-CD1 3.92Å; Y84-L498 HydrophobicContact CE2-CB 4.39Å; Y84-L498 HydrophobicContact CE2-CD1 3.93Å; Y84-L498 HydrophobicContact CG-CB 3.88Å; N494-L498 WeakPolarHBondContact O-CB 3.39Å; N494-L498 WeakPolarHBondContact O-CG 3.41Å; N494-L498 PolarHBondContact O-N 3.32Å; V496-L498 VanDerWaalsContact C-N 3.35Å; V496-L498 PolarHBondContact O-N 3.36Å; L498-K501 PolarHBondContact O-N 3.06Å; L498-A502 WeakPolarHBondContact O-CB 3.49Å; L498-A502 PolarHBondContact O-N 2.85Å
499	S	97.7	Very high	94.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-37.6	176.4	75.6	0	0	0	0	113.6	G85 A495 V496 Q497 A502 A503	G85-S499 WeakPolarHBondContact O-CB 3.48Å; A495-S499 VanDerWaalsContact O-CB 3.32Å; A495-S499 WeakPolarHBondContact O-CB 2.97Å; A495-S499 PolarHBondContact O-N 3.03Å; A495-S499 PolarHBondContact O-OG 2.77Å; V496-S499 WeakPolarHBondContact CA-OG 3.42Å; V496-S499 PolarHBondContact O-N 2.87Å; V496-S499 VanDerWaalsContact O-N 3.12Å; V496-S499 PolarHBondContact O-OG 3.28Å; Q497-S499 VanDerWaalsContact C-N 3.32Å; Q497-S499 PolarHBondContact O-N 2.88Å; S499-A502 PolarHBondContact O-N 3.22Å; S499-A503 WeakPolarHBondContact O-CB 3.41Å; S499-A503 PolarHBondContact O-N 3.26Å
500	K	96.6	Very high	94.5	Very high	81 Å²	81	59.3 Å²	59.3	35%	0.352	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-46.2	173.9	-72.4	175.3	178.7	174.8	0	111.1	I86 V496 Q497 A502 A503 E504	I86-K500 HydrophobicContact CD1-CG 4.21Å; V496-K500 HydrophobicContact CG1-CD 4.39Å; V496-K500 WeakPolarHBondContact O-CG 3.42Å; V496-K500 PolarHBondContact O-N 3.32Å; Q497-K500 PolarHBondContact O-N 2.79Å; K500-A502 PolarHBondContact O-N 3.17Å; K500-A503 PolarHBondContact O-N 3.41Å; K500-E504 WeakPolarHBondContact O-CG 3.46Å; K500-E504 PolarHBondContact O-N 3.33Å
501	K	96.9	Very high	94.4	Very high	133 Å²	133	58.9 Å²	58.9	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-62.5	-40.6	175.3	-173.8	175.4	-179.7	176.6	0	112.4	Q497 L498 E504 L505	Q497-K501 PolarHBondContact O-N 3.41Å; Q497-K501 VanDerWaalsContact O-N 3.1Å; L498-K501 PolarHBondContact O-N 3.06Å; K501-E504 PolarHBondContact O-N 3.46Å; K501-L505 WeakPolarHBondContact O-CG 3.35Å; K501-L505 PolarHBondContact O-N 2.93Å; K501-L505 VanDerWaalsContact O-N 3.09Å
502	A	97.3	Very high	94.2	Very high	9 Å²	9	53.3 Å²	53.3	7%	0.074	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-39.2	175.9	0	0	0	0	0	111.9	E75 Y84 L498 S499 K500 L505 A506	E75-A502 HydrophobicContact CG-CB 4.39Å; Y84-A502 WeakPolarHBondContact O-CB 3.25Å; L498-A502 WeakPolarHBondContact O-CB 3.49Å; L498-A502 PolarHBondContact O-N 2.85Å; S499-A502 PolarHBondContact O-N 3.22Å; K500-A502 PolarHBondContact O-N 3.17Å; A502-L505 PolarHBondContact O-N 3.46Å; A502-A506 VanDerWaalsContact O-CB 3.29Å; A502-A506 WeakPolarHBondContact O-CB 3.34Å; A502-A506 PolarHBondContact O-N 2.9Å
503	A	96.7	Very high	93.9	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-67.6	-38.8	174.9	0	0	0	0	0	112.5	E73 I86 S499 K500 A506 R507	E73-A503 HydrophobicContact CB-CB 3.81Å; I86-A503 HydrophobicContact CB-CB 4.28Å; I86-A503 HydrophobicContact CD1-CB 3.7Å; I86-A503 HydrophobicContact CG1-CB 3.82Å; S499-A503 WeakPolarHBondContact O-CB 3.41Å; S499-A503 PolarHBondContact O-N 3.26Å; K500-A503 PolarHBondContact O-N 3.41Å; A503-A506 PolarHBondContact O-N 2.81Å; A503-R507 WeakPolarHBondContact O-CB 3.28Å; A503-R507 WeakPolarHBondContact O-CG 3.47Å; A503-R507 PolarHBondContact O-N 3.25Å
504	E	94.3	Very high	93.6	Very high	97 Å²	97	50.7 Å²	50.7	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-57.1	-51.8	171.5	-76.6	167.4	-172.1	0	0	111.4	K500 K501 A506 R507 D508	K500-E504 WeakPolarHBondContact O-CG 3.46Å; K500-E504 PolarHBondContact O-N 3.33Å; K501-E504 PolarHBondContact O-N 3.46Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 3.37Å; E504-R507 WeakPolarHBondContact O-CB 3.35Å; E504-R507 PolarHBondContact O-N 3.44Å; E504-D508 PolarHBondContact O-N 2.9Å
505	L	93.9	Very high	93.1	Very high	73 Å²	73	50.3 Å²	50.3	38%	0.382	24%	0.238	S	C	.	.	H	α-helix	trans	-61.5	-42.3	176.8	-69.4	174.6	0	0	0	112.1	K501 A502 R507 D508 Y509	K501-L505 WeakPolarHBondContact O-CG 3.35Å; K501-L505 PolarHBondContact O-N 2.93Å; K501-L505 VanDerWaalsContact O-N 3.09Å; A502-L505 PolarHBondContact O-N 3.46Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.15Å; L505-D508 PolarHBondContact O-N 3.46Å; L505-Y509 HydrophobicContact CB-CD2 4.45Å; L505-Y509 HydrophobicContact CB-CE2 4.09Å; L505-Y509 WeakPolarHBondContact O-CD2 3.25Å; L505-Y509 PolarHBondContact O-N 3.07Å
506	A	95	Very high	92.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-40.8	177	0	0	0	0	0	112	V61 A502 A503 E504 S510	V61-A506 HydrophobicContact CG2-CB 4.34Å; A502-A506 VanDerWaalsContact O-CB 3.29Å; A502-A506 WeakPolarHBondContact O-CB 3.34Å; A502-A506 PolarHBondContact O-N 2.9Å; A503-A506 PolarHBondContact O-N 2.81Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-A506 PolarHBondContact O-N 3.37Å; A506-S510 WeakPolarHBondContact O-CB 3.23Å; A506-S510 PolarHBondContact O-N 3.41Å
507	R	91.1	Very high	92.2	Very high	105 Å²	105	50 Å²	50	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-44.8	173.9	-78.7	-172.2	-79.5	110.9	-6.2	112	V61 E73 A503 E504 L505 Y509 S510 L511	V61-R507 HydrophobicContact CG2-CG 4.39Å; E73-R507 WeakPolarHBondContact OE2-CD 3.4Å; E73-R507 WeakPolarHBondContact OE2-CG 3.16Å; E73-R507 IonicContact OE2-NE 3.33Å; A503-R507 WeakPolarHBondContact O-CB 3.28Å; A503-R507 WeakPolarHBondContact O-CG 3.47Å; A503-R507 PolarHBondContact O-N 3.25Å; E504-R507 WeakPolarHBondContact O-CB 3.35Å; E504-R507 PolarHBondContact O-N 3.44Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.15Å; R507-Y509 PolarHBondContact O-N 3.14Å; R507-S510 WeakPolarHBondContact O-CB 3.43Å; R507-S510 PolarHBondContact O-N 3.2Å; R507-L511 WeakPolarHBondContact O-CG 3.44Å; R507-L511 PolarHBondContact O-N 3.05Å
508	D	89.8	Confident	91.6	Very high	72 Å²	72	52.3 Å²	52.3	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-60.6	-46.1	177.4	-69.3	-16	0	0	0	111	E504 L505 S510 L511 E512	E504-D508 PolarHBondContact O-N 2.9Å; L505-D508 PolarHBondContact O-N 3.46Å; D508-S510 VanDerWaalsContact C-N 3.33Å; D508-S510 PolarHBondContact O-N 3.14Å; D508-L511 PolarHBondContact O-N 3.12Å; D508-E512 WeakPolarHBondContact O-CB 3.35Å; D508-E512 VanDerWaalsContact O-CG 3.28Å; D508-E512 WeakPolarHBondContact O-CG 3.27Å; D508-E512 PolarHBondContact O-N 2.78Å
509	Y	92.2	Very high	90.8	Very high	42 Å²	42	52.5 Å²	52.5	17%	0.165	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-39.5	174.3	-67.3	-52.9	0	0	0	112.5	L36 L51 L505 R507 T513	L36-Y509 HydrophobicContact CD2-CD1 3.86Å; L36-Y509 HydrophobicContact CD2-CG 4.45Å; L51-Y509 HydrophobicContact CB-CD2 4.35Å; L51-Y509 HydrophobicContact CB-CG 4.34Å; L51-Y509 HydrophobicContact CD1-CE1 4.48Å; L51-Y509 HydrophobicContact CD2-CE2 4.42Å; L505-Y509 HydrophobicContact CB-CD2 4.45Å; L505-Y509 HydrophobicContact CB-CE2 4.09Å; L505-Y509 WeakPolarHBondContact O-CD2 3.25Å; L505-Y509 PolarHBondContact O-N 3.07Å; R507-Y509 PolarHBondContact O-N 3.14Å; Y509-T513 VanDerWaalsContact O-CB 3.31Å; Y509-T513 WeakPolarHBondContact O-CB 3.48Å; Y509-T513 PolarHBondContact O-N 3.34Å; Y509-T513 PolarHBondContact O-OG1 3.25Å
510	S	90.9	Very high	90.2	Very high	10 Å²	10	54.4 Å²	54.4	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-50.5	176	177.5	0	0	0	0	111.4	T49 A506 R507 D508 E512 T513 R514	T49-S510 WeakPolarHBondContact OG1-CB 3.32Å; T49-S510 PolarHBondContact OG1-OG 3.04Å; A506-S510 WeakPolarHBondContact O-CB 3.23Å; A506-S510 PolarHBondContact O-N 3.41Å; R507-S510 WeakPolarHBondContact O-CB 3.43Å; R507-S510 PolarHBondContact O-N 3.2Å; D508-S510 VanDerWaalsContact C-N 3.33Å; D508-S510 PolarHBondContact O-N 3.14Å; S510-E512 PolarHBondContact O-N 2.91Å; S510-T513 WeakPolarHBondContact O-CB 3.32Å; S510-T513 PolarHBondContact O-N 3.09Å; S510-R514 VanDerWaalsContact O-CG 3.29Å; S510-R514 WeakPolarHBondContact O-CG 3.45Å; S510-R514 PolarHBondContact O-N 3.38Å
511	L	88	Confident	89.7	Confident	102 Å²	102	54.1 Å²	54.1	53%	0.534	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-44.1	178.6	-70.3	174.9	0	0	0	112.1	R507 D508 T513 R514 E515	R507-L511 WeakPolarHBondContact O-CG 3.44Å; R507-L511 PolarHBondContact O-N 3.05Å; D508-L511 PolarHBondContact O-N 3.12Å; L511-T513 VanDerWaalsContact C-N 3.34Å; L511-T513 PolarHBondContact O-N 2.98Å; L511-R514 PolarHBondContact O-N 2.96Å; L511-E515 PolarHBondContact O-N 2.89Å
512	E	85.6	Confident	89	Confident	19 Å²	19	52.3 Å²	52.3	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-41.5	174.6	-73	172.6	-155.1	0	0	112.4	L36 D508 S510 R514 E515 L516 R619	L36-E512 HydrophobicContact CD1-CB 3.49Å; L36-E512 VanDerWaalsContact CD1-CB 3.49Å; D508-E512 WeakPolarHBondContact O-CB 3.35Å; D508-E512 VanDerWaalsContact O-CG 3.28Å; D508-E512 WeakPolarHBondContact O-CG 3.27Å; D508-E512 PolarHBondContact O-N 2.78Å; S510-E512 PolarHBondContact O-N 2.91Å; E512-R514 VanDerWaalsContact C-N 3.34Å; E512-E515 PolarHBondContact O-N 2.81Å; E512-L516 WeakPolarHBondContact O-CB 3.45Å; E512-L516 PolarHBondContact O-N 3.05Å; E512-R619 VanDerWaalsContact CD-NE 3.27Å; E512-R619 IonicContact OE1-CZ 2.93Å; E512-R619 VanDerWaalsContact OE1-CZ 3.29Å; E512-R619 IonicContact OE1-NE 3.71Å; E512-R619 PolarHBondContact OE1-NE 3.3Å; E512-R619 IonicContact OE1-NH2 2.74Å; E512-R619 PolarHBondContact OE1-NH2 3.01Å; E512-R619 IonicContact OE2-CZ 3.23Å; E512-R619 IonicContact OE2-NE 3.29Å; E512-R619 PolarHBondContact OE2-NE 2.93Å; E512-R619 IonicContact OE2-NH2 3.01Å; E512-R619 PolarHBondContact OE2-NH2 3.08Å
513	T	89.4	Confident	88.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.4	-58.3	0	0	0	0	110.5	L38 Y509 S510 L511 E515 L516 V517	L38-T513 HydrophobicContact CB-CG2 3.83Å; Y509-T513 VanDerWaalsContact O-CB 3.31Å; Y509-T513 WeakPolarHBondContact O-CB 3.48Å; Y509-T513 PolarHBondContact O-N 3.34Å; Y509-T513 PolarHBondContact O-OG1 3.25Å; S510-T513 WeakPolarHBondContact O-CB 3.32Å; S510-T513 PolarHBondContact O-N 3.09Å; L511-T513 VanDerWaalsContact C-N 3.34Å; L511-T513 PolarHBondContact O-N 2.98Å; T513-E515 VanDerWaalsContact C-N 3.34Å; T513-E515 PolarHBondContact O-N 2.8Å; T513-L516 WeakPolarHBondContact O-CB 3.5Å; T513-L516 PolarHBondContact O-N 2.85Å; T513-V517 HydrophobicContact CG2-CG2 4.36Å; T513-V517 VanDerWaalsContact O-CG2 3.22Å; T513-V517 WeakPolarHBondContact O-CG2 3.43Å; T513-V517 PolarHBondContact O-N 2.99Å
514	R	87.9	Confident	87.6	Confident	32 Å²	32	61.6 Å²	61.6	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-37.9	178.9	-71.6	-172.8	171.4	-161.6	-5.2	112.5	E47 T49 S510 L511 E512 K518 Q526 G528 I529	E47-R514 IonicContact OE1-CZ 3.73Å; E47-R514 IonicContact OE1-NE 2.73Å; E47-R514 IonicContact OE1-NH2 2.85Å; E47-R514 PolarHBondContact OE1-NH2 3.17Å; T49-R514 HydrophobicContact CG2-CG 4.49Å; S510-R514 VanDerWaalsContact O-CG 3.29Å; S510-R514 WeakPolarHBondContact O-CG 3.45Å; S510-R514 PolarHBondContact O-N 3.38Å; L511-R514 PolarHBondContact O-N 2.96Å; E512-R514 VanDerWaalsContact C-N 3.34Å; R514-K518 WeakPolarHBondContact O-CB 3.33Å; R514-K518 PolarHBondContact O-N 3.28Å; R514-Q526 PolarHBondContact O-NE2 3.03Å; R514-G528 VanDerWaalsContact NH2-CA 3.31Å; R514-G528 PolarHBondContact NH2-O 3.14Å; R514-I529 VanDerWaalsContact NH1-CG1 3.34Å
515	E	84.5	Confident	86.9	Confident	96 Å²	96	64.7 Å²	64.7	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-46	172.3	-76.4	-176.7	-153.1	0	0	112.2	L511 E512 T513 V517 K518 E519 R622	L511-E515 PolarHBondContact O-N 2.89Å; E512-E515 PolarHBondContact O-N 2.81Å; T513-E515 VanDerWaalsContact C-N 3.34Å; T513-E515 PolarHBondContact O-N 2.8Å; E515-V517 VanDerWaalsContact C-N 3.31Å; E515-V517 PolarHBondContact O-N 3.34Å; E515-K518 PolarHBondContact O-N 3.02Å; E515-E519 PolarHBondContact O-N 3.46Å; E515-R622 IonicContact OE1-CZ 3.32Å; E515-R622 IonicContact OE1-NE 2.88Å; E515-R622 IonicContact OE1-NH2 2.87Å; E515-R622 PolarHBondContact OE1-NH2 3.38Å; E515-R622 VanDerWaalsContact OE1-NH2 3.1Å; E515-R622 IonicContact OE2-CZ 2.91Å; E515-R622 VanDerWaalsContact OE2-CZ 3.25Å; E515-R622 IonicContact OE2-NE 3.79Å; E515-R622 PolarHBondContact OE2-NE 3.14Å; E515-R622 IonicContact OE2-NH2 3.02Å; E515-R622 PolarHBondContact OE2-NH2 2.89Å
516	L	85.5	Confident	86.2	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-46	176.4	176.6	67.9	0	0	0	111.3	E27 L36 E512 T513 E519 M520 R614	E27-L516 HydrophobicContact CG-CD2 4.46Å; L36-L516 HydrophobicContact CB-CD2 4.21Å; E512-L516 WeakPolarHBondContact O-CB 3.45Å; E512-L516 PolarHBondContact O-N 3.05Å; T513-L516 WeakPolarHBondContact O-CB 3.5Å; T513-L516 PolarHBondContact O-N 2.85Å; L516-E519 PolarHBondContact O-N 2.96Å; L516-M520 HydrophobicContact CD1-CG 4.28Å; L516-M520 HydrophobicContact CD1-SD 3.73Å; L516-M520 HydrophobicContact CD2-SD 4.41Å; L516-M520 HydrophobicContact CG-SD 3.77Å; L516-M520 WeakPolarHBondContact O-CB 3.49Å; L516-M520 VanDerWaalsContact O-CG 3.27Å; L516-M520 WeakPolarHBondContact O-CG 3.25Å; L516-M520 PolarHBondContact O-N 3.46Å; L516-R614 HydrophobicContact CD1-CG 4.24Å
517	V	87.2	Confident	85.2	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-44	178.1	171.7	0	0	0	0	111	I25 L38 T513 E515 E519 M520 Y521 F524 Q526	I25-V517 HydrophobicContact CB-CG2 4.06Å; I25-V517 HydrophobicContact CD1-CG1 3.87Å; I25-V517 HydrophobicContact CG2-CB 4.44Å; I25-V517 HydrophobicContact CG2-CG1 4.33Å; I25-V517 HydrophobicContact CG2-CG2 3.79Å; L38-V517 HydrophobicContact CB-CG2 3.91Å; L38-V517 HydrophobicContact CD1-CG2 4.25Å; T513-V517 HydrophobicContact CG2-CG2 4.36Å; T513-V517 VanDerWaalsContact O-CG2 3.22Å; T513-V517 WeakPolarHBondContact O-CG2 3.43Å; T513-V517 PolarHBondContact O-N 2.99Å; E515-V517 VanDerWaalsContact C-N 3.31Å; E515-V517 PolarHBondContact O-N 3.34Å; V517-E519 VanDerWaalsContact C-N 3.34Å; V517-E519 PolarHBondContact O-N 3.4Å; V517-M520 PolarHBondContact O-N 3.29Å; V517-Y521 PolarHBondContact O-N 2.88Å; V517-F524 HydrophobicContact CG1-CD1 3.52Å; V517-F524 HydrophobicContact CG1-CE1 3.95Å; V517-Q526 HydrophobicContact CG1-CG 4.34Å
518	K	84.6	Confident	84.2	Confident	141 Å²	141	58.9 Å²	58.9	61%	0.613	29%	0.29	S	S	*	.	H	α-helix	trans	-63.9	-37.3	178	-173.3	177	-179.5	178.6	0	112.4	R514 E515 Y521 P522	R514-K518 WeakPolarHBondContact O-CB 3.33Å; R514-K518 PolarHBondContact O-N 3.28Å; E515-K518 PolarHBondContact O-N 3.02Å; K518-Y521 CarbonylContact O-C 3.58Å; K518-P522 WeakPolarHBondContact O-CA 3.48Å
519	E	82.6	Confident	83.3	Confident	84 Å²	84	58.6 Å²	58.6	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-68.1	-43.6	175.3	-176.4	-163.7	148.3	0	0	111.8	E515 L516 V517 R614 Y618	E515-E519 PolarHBondContact O-N 3.46Å; L516-E519 PolarHBondContact O-N 2.96Å; V517-E519 VanDerWaalsContact C-N 3.34Å; V517-E519 PolarHBondContact O-N 3.4Å; E519-R614 IonicContact OE1-CZ 2.76Å; E519-R614 IonicContact OE1-NE 2.91Å; E519-R614 IonicContact OE1-NH2 3.82Å; E519-R614 PolarHBondContact OE1-NH2 2.84Å; E519-Y618 PolarHBondContact OE1-OH 2.87Å; E519-Y618 VanDerWaalsContact OE2-CE2 3.22Å; E519-Y618 WeakPolarHBondContact OE2-CE2 3.3Å; E519-Y618 PolarHBondContact OE2-OH 3.01Å
520	M	83.8	Confident	82	Confident	40 Å²	40	62.2 Å²	62.2	20%	0.197	31%	0.305	C	S	.	.	H	α-helix	trans	-74	-35.5	-177.6	-70.5	174.7	61	0	0	112.9	A13 L516 V517	A13-M520 HydrophobicContact CB-CE 3.61Å; A13-M520 HydrophobicContact CB-SD 3.84Å; L516-M520 HydrophobicContact CD1-CG 4.28Å; L516-M520 HydrophobicContact CD1-SD 3.73Å; L516-M520 HydrophobicContact CD2-SD 4.41Å; L516-M520 HydrophobicContact CG-SD 3.77Å; L516-M520 WeakPolarHBondContact O-CB 3.49Å; L516-M520 VanDerWaalsContact O-CG 3.27Å; L516-M520 WeakPolarHBondContact O-CG 3.25Å; L516-M520 PolarHBondContact O-N 3.46Å; V517-M520 PolarHBondContact O-N 3.29Å
521	Y	86	Confident	80.8	Confident	75 Å²	75	65 Å²	65	29%	0.294	31%	0.314	S	S	.	.			trans	-140.3	79.1	-176.4	-61.6	-77.7	0	0	0	109.7	R15 I25 V517 K518 D523 F524	R15-Y521 HydrophobicContact CB-CE1 4.44Å; R15-Y521 HydrophobicContact CB-CE2 3.86Å; R15-Y521 VanDerWaalsContact CB-OH 3.25Å; R15-Y521 WeakPolarHBondContact CB-OH 3.39Å; I25-Y521 HydrophobicContact CD1-CD2 4.17Å; I25-Y521 HydrophobicContact CG2-CD2 3.85Å; I25-Y521 HydrophobicContact CG2-CE2 3.88Å; V517-Y521 PolarHBondContact O-N 2.88Å; K518-Y521 CarbonylContact O-C 3.58Å; Y521-D523 PolarHBondContact O-N 3.3Å; Y521-F524 WeakPolarHBondContact O-CB 3.3Å; Y521-F524 PolarHBondContact O-N 2.86Å
522	P	83.2	Confident	79.7	Confident	95 Å²	95	63.9 Å²	63.9	62%	0.617	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.8	-177.7	24	-34	0	0	0	113.4	K518 F524	K518-P522 WeakPolarHBondContact O-CA 3.48Å; P522-F524 VanDerWaalsContact C-N 3.28Å; P522-F524 PolarHBondContact O-N 2.85Å
523	D	81.6	Confident	78.8	Confident	159 Å²	159	68.8 Å²	68.8	85%	0.85	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-7.8	177.6	-56.1	-30.3	0	0	0	113.1	Y521 E525	Y521-D523 PolarHBondContact O-N 3.3Å; D523-E525 PolarHBondContact O-N 2.81Å
524	F	82	Confident	77.4	Confident	46 Å²	46	72 Å²	72	20%	0.202	35%	0.348	C	S	.	.			trans	-81.1	110.3	-179.4	177.6	-104.4	0	0	0	110.9	L23 I25 L38 V517 Y521 P522 Q526	L23-F524 HydrophobicContact CD2-CD2 4.13Å; L23-F524 HydrophobicContact CD2-CE2 3.44Å; L23-F524 VanDerWaalsContact CD2-CE2 3.44Å; L23-F524 HydrophobicContact CD2-CZ 3.86Å; I25-F524 HydrophobicContact CD1-CD1 3.77Å; I25-F524 HydrophobicContact CD1-CD2 4.22Å; I25-F524 HydrophobicContact CD1-CE1 3.78Å; I25-F524 HydrophobicContact CD1-CE2 4.25Å; I25-F524 HydrophobicContact CD1-CG 3.99Å; I25-F524 HydrophobicContact CD1-CZ 4.02Å; L38-F524 HydrophobicContact CD2-CE1 4.22Å; L38-F524 HydrophobicContact CD2-CZ 4.39Å; V517-F524 HydrophobicContact CG1-CD1 3.52Å; V517-F524 HydrophobicContact CG1-CE1 3.95Å; Y521-F524 WeakPolarHBondContact O-CB 3.3Å; Y521-F524 PolarHBondContact O-N 2.86Å; P522-F524 VanDerWaalsContact C-N 3.28Å; P522-F524 PolarHBondContact O-N 2.85Å; F524-Q526 HydrophobicContact CD1-CG 4.02Å; F524-Q526 HydrophobicContact CE1-CG 4.1Å; F524-Q526 PolarHBondContact O-N 2.95Å
525	E	79.5	Confident	76	Confident	163 Å²	163	72.2 Å²	72.2	76%	0.762	35%	0.351	S	S	*	.			trans	-69.5	116.9	170.6	-68.7	-173	175.5	0	0	110.6	D523 P527	D523-E525 PolarHBondContact O-N 2.81Å; E525-P527 WeakPolarHBondContact O-CD 3.16Å
526	Q	79.3	Confident	75.1	Confident	18 Å²	18	71 Å²	71	8%	0.084	35%	0.35	C	S	.	.			trans	-78.7	111.2	179.6	-60	180	24.8	0	0	109.9	R514 V517 F524 G528 I529	R514-Q526 PolarHBondContact O-NE2 3.03Å; V517-Q526 HydrophobicContact CG1-CG 4.34Å; F524-Q526 HydrophobicContact CD1-CG 4.02Å; F524-Q526 HydrophobicContact CE1-CG 4.1Å; F524-Q526 PolarHBondContact O-N 2.95Å; Q526-G528 PolarHBondContact O-N 2.8Å; Q526-G528 VanDerWaalsContact O-N 3.17Å; Q526-I529 HydrophobicContact CB-CD1 3.9Å; Q526-I529 HydrophobicContact CB-CG1 4.03Å; Q526-I529 HydrophobicContact CG-CD1 4.37Å; Q526-I529 PolarHBondContact O-N 2.65Å; Q526-I529 VanDerWaalsContact O-N 3.09Å
527	P	73.7	Confident	74	Confident	38 Å²	38	79.1 Å²	79.1	25%	0.247	38%	0.38	C	S	.	.	H	α-helix	trans	-58.4	-35.6	-173.4	-25.7	36.5	0	0	0	113.3	T40 E47 E525 I529 K530 Y531	T40-P527 HydrophobicContact CG2-CG 3.94Å; E47-P527 WeakPolarHBondContact OE2-CD 3.25Å; E525-P527 WeakPolarHBondContact O-CD 3.16Å; P527-I529 VanDerWaalsContact C-N 3.3Å; P527-I529 PolarHBondContact O-N 2.91Å; P527-K530 WeakPolarHBondContact O-CB 3.39Å; P527-K530 PolarHBondContact O-N 3.31Å; P527-K530 VanDerWaalsContact O-N 3.16Å; P527-Y531 HydrophobicContact CB-CE2 4Å; P527-Y531 WeakPolarHBondContact O-CD2 3.29Å; P527-Y531 PolarHBondContact O-N 3.45Å
528	G	70.7	Confident	72.4	Confident	0 Å²	0	83 Å²	83	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-71	-18.5	-179.1	0	0	0	0	0	115.1	E47 R514 Q526 L532	E47-G528 VanDerWaalsContact OE2-CA 3.31Å; E47-G528 WeakPolarHBondContact OE2-CA 3.45Å; E47-G528 PolarHBondContact OE2-N 3.39Å; R514-G528 VanDerWaalsContact NH2-CA 3.31Å; R514-G528 PolarHBondContact NH2-O 3.14Å; Q526-G528 PolarHBondContact O-N 2.8Å; Q526-G528 VanDerWaalsContact O-N 3.17Å; G528-L532 PolarHBondContact O-N 3.42Å
529	I	70.4	Confident	71	Confident	66 Å²	66	79.8 Å²	79.8	34%	0.338	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-46.2	168.2	-65.2	177.1	0	0	0	108.6	R514 Q526 P527 Y531 L532 E533	R514-I529 VanDerWaalsContact NH1-CG1 3.34Å; Q526-I529 HydrophobicContact CB-CD1 3.9Å; Q526-I529 HydrophobicContact CB-CG1 4.03Å; Q526-I529 HydrophobicContact CG-CD1 4.37Å; Q526-I529 PolarHBondContact O-N 2.65Å; Q526-I529 VanDerWaalsContact O-N 3.09Å; P527-I529 VanDerWaalsContact C-N 3.3Å; P527-I529 PolarHBondContact O-N 2.91Å; I529-Y531 VanDerWaalsContact C-N 3.31Å; I529-Y531 PolarHBondContact O-N 3.28Å; I529-L532 WeakPolarHBondContact O-CA 3.13Å; I529-L532 WeakPolarHBondContact O-CB 3.48Å; I529-L532 PolarHBondContact O-N 3.27Å; I529-E533 HydrophobicContact CG2-CG 4.31Å; I529-E533 WeakPolarHBondContact CG2-OE1 3.48Å; I529-E533 WeakPolarHBondContact O-CG 3.47Å; I529-E533 PolarHBondContact O-N 3.1Å
530	K	66.6	Low	69.7	Low	118 Å²	118	78.2 Å²	78.2	51%	0.513	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-39.7	175.7	-172.9	177.4	-178.5	173.1	0	112.2	P527 L532 E533 D534	P527-K530 WeakPolarHBondContact O-CB 3.39Å; P527-K530 PolarHBondContact O-N 3.31Å; P527-K530 VanDerWaalsContact O-N 3.16Å; K530-L532 VanDerWaalsContact C-N 3.29Å; K530-L532 PolarHBondContact O-N 2.79Å; K530-E533 PolarHBondContact O-N 2.88Å; K530-D534 VanDerWaalsContact O-CB 3.23Å; K530-D534 WeakPolarHBondContact O-CB 3.29Å; K530-D534 VanDerWaalsContact O-CG 3.28Å; K530-D534 PolarHBondContact O-N 3.49Å
531	Y	64.4	Low	68.4	Low	68 Å²	68	81.2 Å²	81.2	27%	0.267	40%	0.399	S	S	.	.	H	α-helix	trans	-61.4	-38.3	173.5	-59.9	-31.7	0	0	0	112.5	L63 P65 P527 I529 M535	L63-Y531 HydrophobicContact CB-CD2 4.23Å; L63-Y531 HydrophobicContact CD1-CD2 4.48Å; P65-Y531 HydrophobicContact CB-CE1 4.14Å; P65-Y531 HydrophobicContact CB-CE2 4.31Å; P527-Y531 HydrophobicContact CB-CE2 4Å; P527-Y531 WeakPolarHBondContact O-CD2 3.29Å; P527-Y531 PolarHBondContact O-N 3.45Å; I529-Y531 VanDerWaalsContact C-N 3.31Å; I529-Y531 PolarHBondContact O-N 3.28Å; Y531-M535 VanDerWaalsContact O-CB 3.24Å; Y531-M535 WeakPolarHBondContact O-CB 3.34Å; Y531-M535 PolarHBondContact O-N 3.34Å
532	L	65	Low	66.8	Low	79 Å²	79	83.1 Å²	83.1	41%	0.414	42%	0.419	S	S	.	.	H	α-helix	trans	-72.2	-41.7	178.1	-166	69.6	0	0	0	111.4	G528 I529 K530 M535 V536	G528-L532 PolarHBondContact O-N 3.42Å; I529-L532 WeakPolarHBondContact O-CA 3.13Å; I529-L532 WeakPolarHBondContact O-CB 3.48Å; I529-L532 PolarHBondContact O-N 3.27Å; K530-L532 VanDerWaalsContact C-N 3.29Å; K530-L532 PolarHBondContact O-N 2.79Å; L532-M535 HydrophobicContact CD1-CE 3.56Å; L532-M535 WeakPolarHBondContact O-CB 3.47Å; L532-M535 PolarHBondContact O-N 3.23Å; L532-V536 WeakPolarHBondContact O-CG2 2.97Å; L532-V536 PolarHBondContact O-N 3.38Å
533	E	67.3	Low	65.3	Low	122 Å²	122	82.7 Å²	82.7	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-62.2	-46.4	173.5	-71.8	174.9	178.6	0	0	111.9	I529 K530 M535 V536 R537	I529-E533 HydrophobicContact CG2-CG 4.31Å; I529-E533 WeakPolarHBondContact CG2-OE1 3.48Å; I529-E533 WeakPolarHBondContact O-CG 3.47Å; I529-E533 PolarHBondContact O-N 3.1Å; K530-E533 PolarHBondContact O-N 2.88Å; E533-M535 VanDerWaalsContact C-N 3.3Å; E533-M535 PolarHBondContact O-N 3.27Å; E533-V536 PolarHBondContact O-N 2.94Å; E533-R537 VanDerWaalsContact O-CB 3.28Å; E533-R537 WeakPolarHBondContact O-CB 3.41Å; E533-R537 PolarHBondContact O-N 2.68Å
534	D	59.4	Low	63.2	Low	67 Å²	67	86.1 Å²	86.1	36%	0.358	41%	0.408	S	S	.	.	H	α-helix	trans	-62.5	-38.5	175.4	-77.1	-25.1	0	0	0	110.8	K530 R537 L538	K530-D534 VanDerWaalsContact O-CB 3.23Å; K530-D534 WeakPolarHBondContact O-CB 3.29Å; K530-D534 VanDerWaalsContact O-CG 3.28Å; K530-D534 PolarHBondContact O-N 3.49Å; D534-R537 PolarHBondContact O-N 2.8Å; D534-L538 VanDerWaalsContact O-CB 3.28Å; D534-L538 WeakPolarHBondContact O-CB 3.35Å; D534-L538 WeakPolarHBondContact O-CG 3.32Å; D534-L538 PolarHBondContact O-N 3.18Å
535	M	59.4	Low	61.6	Low	37 Å²	37	87.4 Å²	87.4	18%	0.182	44%	0.435	C	S	.	.	H	α-helix	trans	-63.5	-48.3	173.5	-176.2	-172.5	82.2	0	0	111.6	G69 M71 Y531 L532 E533 R537 L538 M539	G69-M535 VanDerWaalsContact CA-SD 3.6Å; M71-M535 HydrophobicContact CE-CE 4.16Å; M71-M535 HydrophobicContact CE-SD 3.92Å; Y531-M535 VanDerWaalsContact O-CB 3.24Å; Y531-M535 WeakPolarHBondContact O-CB 3.34Å; Y531-M535 PolarHBondContact O-N 3.34Å; L532-M535 HydrophobicContact CD1-CE 3.56Å; L532-M535 WeakPolarHBondContact O-CB 3.47Å; L532-M535 PolarHBondContact O-N 3.23Å; E533-M535 VanDerWaalsContact C-N 3.3Å; E533-M535 PolarHBondContact O-N 3.27Å; M535-R537 VanDerWaalsContact C-N 3.28Å; M535-R537 PolarHBondContact O-N 2.93Å; M535-L538 PolarHBondContact O-N 3.47Å; M535-M539 HydrophobicContact CE-CE 4.36Å; M535-M539 HydrophobicContact CG-CE 4.47Å; M535-M539 VanDerWaalsContact O-CB 3.24Å; M535-M539 WeakPolarHBondContact O-CB 3.46Å; M535-M539 PolarHBondContact O-N 2.99Å
536	V	64.8	Low	60.4	Low	69 Å²	69	84.7 Å²	84.7	42%	0.418	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-42.5	175.7	170.6	0	0	0	0	110.1	L532 E533 M539 N540	L532-V536 WeakPolarHBondContact O-CG2 2.97Å; L532-V536 PolarHBondContact O-N 3.38Å; E533-V536 PolarHBondContact O-N 2.94Å; V536-M539 PolarHBondContact O-N 2.83Å; V536-N540 WeakPolarHBondContact O-CB 3.28Å; V536-N540 PolarHBondContact O-N 3.32Å; V536-N540 PolarHBondContact O-ND2 2.89Å; V536-N540 PolarHBondContact O-OD1 2.98Å
537	R	63.4	Low	59.2	Low	175 Å²	175	91.5 Å²	91.5	66%	0.66	46%	0.457	S	S	*	.	H	α-helix	trans	-62.1	-44.6	176.5	-165.3	-178.9	-156.2	-136.5	4	112.1	E533 D534 M535 N540 I541	E533-R537 VanDerWaalsContact O-CB 3.28Å; E533-R537 WeakPolarHBondContact O-CB 3.41Å; E533-R537 PolarHBondContact O-N 2.68Å; D534-R537 PolarHBondContact O-N 2.8Å; M535-R537 VanDerWaalsContact C-N 3.28Å; M535-R537 PolarHBondContact O-N 2.93Å; R537-N540 PolarHBondContact O-N 3.09Å; R537-I541 HydrophobicContact CG-CD1 4.47Å; R537-I541 WeakPolarHBondContact O-CD1 3.39Å; R537-I541 VanDerWaalsContact O-CG1 3.25Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 2.83Å; R537-I541 VanDerWaalsContact O-N 3.17Å
538	L	53.8	Low	58.3	Low	84 Å²	84	92.8 Å²	92.8	44%	0.44	47%	0.471	S	S	.	.	H	α-helix	trans	-68.1	-41.1	177.5	-75.8	167.5	0	0	0	111.8	P68 D534 M535 N540 I541 T542	P68-L538 HydrophobicContact CB-CD1 4.22Å; D534-L538 VanDerWaalsContact O-CB 3.28Å; D534-L538 WeakPolarHBondContact O-CB 3.35Å; D534-L538 WeakPolarHBondContact O-CG 3.32Å; D534-L538 PolarHBondContact O-N 3.18Å; M535-L538 PolarHBondContact O-N 3.47Å; L538-N540 VanDerWaalsContact C-N 3.31Å; L538-N540 PolarHBondContact O-N 3.03Å; L538-I541 WeakPolarHBondContact O-CB 3.15Å; L538-I541 PolarHBondContact O-N 3.26Å; L538-T542 PolarHBondContact O-N 3.15Å; L538-T542 PolarHBondContact O-OG1 3.21Å
539	M	53.9	Low	57.2	Low	72 Å²	72	96.2 Å²	96.2	36%	0.355	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-38.5	176.2	-164	-176.4	-68.4	0	0	111.1	M535 V536 I541 T542 K543	M535-M539 HydrophobicContact CE-CE 4.36Å; M535-M539 HydrophobicContact CG-CE 4.47Å; M535-M539 VanDerWaalsContact O-CB 3.24Å; M535-M539 WeakPolarHBondContact O-CB 3.46Å; M535-M539 PolarHBondContact O-N 2.99Å; V536-M539 PolarHBondContact O-N 2.83Å; M539-I541 VanDerWaalsContact C-N 3.28Å; M539-I541 PolarHBondContact O-N 3.25Å; M539-T542 PolarHBondContact O-N 3.04Å; M539-T542 PolarHBondContact O-OG1 3Å; M539-K543 WeakPolarHBondContact O-CB 3.44Å; M539-K543 PolarHBondContact O-N 3.38Å
540	N	55.6	Low	56.6	Low	52 Å²	52	97.8 Å²	97.8	28%	0.278	50%	0.495	S	S	.	.	H	α-helix	trans	-64.3	-31	172.3	-67.4	-17.6	0	0	0	112.6	V536 R537 L538 F549	V536-N540 WeakPolarHBondContact O-CB 3.28Å; V536-N540 PolarHBondContact O-N 3.32Å; V536-N540 PolarHBondContact O-ND2 2.89Å; V536-N540 PolarHBondContact O-OD1 2.98Å; R537-N540 PolarHBondContact O-N 3.09Å; L538-N540 VanDerWaalsContact C-N 3.31Å; L538-N540 PolarHBondContact O-N 3.03Å; N540-F549 WeakPolarHBondContact OD1-CE1 3.47Å; N540-F549 WeakPolarHBondContact OD1-CZ 3.4Å
541	I	56.2	Low	56.8	Low	102 Å²	102	96.9 Å²	96.9	52%	0.523	50%	0.499	S	S	.	.	H	α-helix	trans	-77.6	-40.3	177.6	-66.9	161.6	0	0	0	111	R537 L538 M539	R537-I541 HydrophobicContact CG-CD1 4.47Å; R537-I541 WeakPolarHBondContact O-CD1 3.39Å; R537-I541 VanDerWaalsContact O-CG1 3.25Å; R537-I541 WeakPolarHBondContact O-CG1 3.36Å; R537-I541 PolarHBondContact O-N 2.83Å; R537-I541 VanDerWaalsContact O-N 3.17Å; L538-I541 WeakPolarHBondContact O-CB 3.15Å; L538-I541 PolarHBondContact O-N 3.26Å; M539-I541 VanDerWaalsContact C-N 3.28Å; M539-I541 PolarHBondContact O-N 3.25Å
542	T	53.4	Low	56.8	Low	116 Å²	116	96.1 Å²	96.1	71%	0.712	51%	0.507	S	S	*	.	H	α-helix	trans	-77.7	-28.6	-178.9	56.4	0	0	0	0	113.3	L538 M539 R544	L538-T542 PolarHBondContact O-N 3.15Å; L538-T542 PolarHBondContact O-OG1 3.21Å; M539-T542 PolarHBondContact O-N 3.04Å; M539-T542 PolarHBondContact O-OG1 3Å; T542-R544 VanDerWaalsContact C-N 3.33Å; T542-R544 PolarHBondContact O-N 2.8Å
543	K	50.9	Low	56.9	Low	86 Å²	86	94.8 Å²	94.8	37%	0.374	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	20.8	173.6	-71.8	-169.6	171.2	-173.5	0	114	D112 M539 G545	D112-K543 IonicContact OD1-NZ 3Å; D112-K543 IonicContact OD2-NZ 3.08Å; D112-K543 PolarHBondContact OD2-NZ 2.78Å; M539-K543 WeakPolarHBondContact O-CB 3.44Å; M539-K543 PolarHBondContact O-N 3.38Å; K543-G545 PolarHBondContact O-N 3.39Å
544	R	36.6	Very low	57	Low	230 Å²	230	93.6 Å²	93.6	87%	0.868	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	106	171.4	-115	-176.7	176.8	177.3	-0.3	109.9	T542	T542-R544 VanDerWaalsContact C-N 3.33Å; T542-R544 PolarHBondContact O-N 2.8Å
545	G	49	Very low	57.4	Low	74 Å²	74	93.4 Å²	93.4	76%	0.763	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	147	-11.2	172.2	0	0	0	0	0	116.3	K543	K543-G545 PolarHBondContact O-N 3.39Å
546	N	54.9	Low	57.5	Low	106 Å²	106	93.9 Å²	93.9	57%	0.567	51%	0.508	S	S	*	.			trans	-103.6	102.7	-179.6	-153.9	-9.9	0	0	0	111.7	A548 F549	N546-A548 PolarHBondContact O-N 2.97Å; N546-F549 WeakPolarHBondContact O-CB 3.29Å; N546-F549 PolarHBondContact O-N 2.86Å
547	Q	53.7	Low	57.8	Low	161 Å²	161	95.8 Å²	95.8	75%	0.752	51%	0.511	S	S	*	.	H	α-helix	trans	-55.2	-27.1	-177.2	-70.1	-179.6	-20.5	0	0	113.8	F549 D550 T551	Q547-F549 VanDerWaalsContact C-N 3.3Å; Q547-F549 PolarHBondContact O-N 3.22Å; Q547-D550 PolarHBondContact O-N 3.11Å; Q547-T551 PolarHBondContact O-N 3.04Å; Q547-T551 VanDerWaalsContact O-N 3.14Å; Q547-T551 PolarHBondContact O-OG1 3.43Å
548	A	55	Low	58.5	Low	65 Å²	65	91.7 Å²	91.7	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-35.4	176.3	0	0	0	0	0	112.5	N546 A552	N546-A548 PolarHBondContact O-N 2.97Å; A548-A552 WeakPolarHBondContact O-CB 3.35Å; A548-A552 PolarHBondContact O-N 3.04Å
549	F	47.9	Very low	59.5	Low	71 Å²	71	91.7 Å²	91.7	31%	0.311	51%	0.506	S	S	.	.	H	α-helix	trans	-72.7	-42	178.7	-175.9	-93.8	0	0	0	111.6	N540 N546 Q547 T551 A552 L553	N540-F549 WeakPolarHBondContact OD1-CE1 3.47Å; N540-F549 WeakPolarHBondContact OD1-CZ 3.4Å; N546-F549 WeakPolarHBondContact O-CB 3.29Å; N546-F549 PolarHBondContact O-N 2.86Å; Q547-F549 VanDerWaalsContact C-N 3.3Å; Q547-F549 PolarHBondContact O-N 3.22Å; F549-T551 VanDerWaalsContact C-N 3.26Å; F549-T551 PolarHBondContact O-N 3.35Å; F549-A552 PolarHBondContact O-N 2.94Å; F549-L553 HydrophobicContact CE1-CB 4.45Å; F549-L553 HydrophobicContact CE1-CD2 4.24Å; F549-L553 VanDerWaalsContact O-CB 3.3Å; F549-L553 WeakPolarHBondContact O-CB 3.27Å; F549-L553 PolarHBondContact O-N 3.22Å
550	D	58.5	Low	60	Low	99 Å²	99	93.6 Å²	93.6	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-37.9	176.2	-69.7	-35.8	0	0	0	111.4	Q547 Q554	Q547-D550 PolarHBondContact O-N 3.11Å; D550-Q554 VanDerWaalsContact O-CB 3.28Å; D550-Q554 WeakPolarHBondContact O-CB 3.32Å; D550-Q554 PolarHBondContact O-N 3.09Å
551	T	69.8	Low	60.9	Low	99 Å²	99	93.6 Å²	93.6	61%	0.607	52%	0.524	S	S	*	.	H	α-helix	trans	-68.3	-42.6	177	-45.1	0	0	0	0	111.5	Q547 F549 Q554 S555	Q547-T551 PolarHBondContact O-N 3.04Å; Q547-T551 VanDerWaalsContact O-N 3.14Å; Q547-T551 PolarHBondContact O-OG1 3.43Å; F549-T551 VanDerWaalsContact C-N 3.26Å; F549-T551 PolarHBondContact O-N 3.35Å; T551-Q554 PolarHBondContact O-N 2.81Å; T551-S555 WeakPolarHBondContact O-CB 3.33Å; T551-S555 PolarHBondContact O-N 2.79Å
552	A	64.1	Low	61.5	Low	53 Å²	53	91.4 Å²	91.4	44%	0.438	52%	0.518	S	S	.	.	H	α-helix	trans	-66.8	-42.4	176.4	0	0	0	0	0	112	A548 F549 S555 A556	A548-A552 WeakPolarHBondContact O-CB 3.35Å; A548-A552 PolarHBondContact O-N 3.04Å; F549-A552 PolarHBondContact O-N 2.94Å; A552-S555 WeakPolarHBondContact CA-OG 3.47Å; A552-S555 PolarHBondContact O-N 3.19Å; A552-S555 PolarHBondContact O-OG 3.3Å; A552-A556 WeakPolarHBondContact O-CB 3.47Å; A552-A556 PolarHBondContact O-N 3.33Å
553	L	68.3	Low	62.1	Low	51 Å²	51	89.3 Å²	89.3	27%	0.267	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-40.5	176.4	-176.3	66.7	0	0	0	111.5	F549 A556 K557	F549-L553 HydrophobicContact CE1-CB 4.45Å; F549-L553 HydrophobicContact CE1-CD2 4.24Å; F549-L553 VanDerWaalsContact O-CB 3.3Å; F549-L553 WeakPolarHBondContact O-CB 3.27Å; F549-L553 PolarHBondContact O-N 3.22Å; L553-A556 PolarHBondContact O-N 2.66Å; L553-K557 WeakPolarHBondContact O-CG 2.96Å; L553-K557 PolarHBondContact O-N 2.79Å
554	Q	68.1	Low	62.7	Low	96 Å²	96	91.3 Å²	91.3	45%	0.449	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-43.8	174.3	-168.5	61.9	30.7	0	0	110.8	D550 T551 A556 K557 D558	D550-Q554 VanDerWaalsContact O-CB 3.28Å; D550-Q554 WeakPolarHBondContact O-CB 3.32Å; D550-Q554 PolarHBondContact O-N 3.09Å; T551-Q554 PolarHBondContact O-N 2.81Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 2.84Å; Q554-K557 WeakPolarHBondContact O-CB 3.09Å; Q554-K557 PolarHBondContact O-N 2.83Å; Q554-D558 PolarHBondContact NE2-OD1 3.37Å; Q554-D558 VanDerWaalsContact NE2-OD1 3.09Å; Q554-D558 WeakPolarHBondContact O-CB 3.43Å; Q554-D558 PolarHBondContact O-N 3.09Å
555	S	68.1	Low	64	Low	63 Å²	63	82.6 Å²	82.6	44%	0.441	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-38.1	175.6	74.7	0	0	0	0	112.8	T551 A552 D558 V559	T551-S555 WeakPolarHBondContact O-CB 3.33Å; T551-S555 PolarHBondContact O-N 2.79Å; A552-S555 WeakPolarHBondContact CA-OG 3.47Å; A552-S555 PolarHBondContact O-N 3.19Å; A552-S555 PolarHBondContact O-OG 3.3Å; S555-D558 PolarHBondContact O-N 3.19Å; S555-V559 VanDerWaalsContact O-CG2 3.25Å; S555-V559 WeakPolarHBondContact O-CG2 3.2Å; S555-V559 PolarHBondContact O-N 3.11Å
556	A	62	Low	64.4	Low	47 Å²	47	83.8 Å²	83.8	39%	0.388	48%	0.481	S	S	.	.	H	α-helix	trans	-67.9	-39.5	176.2	0	0	0	0	0	111.7	A552 L553 Q554 V559 L560	A552-A556 WeakPolarHBondContact O-CB 3.47Å; A552-A556 PolarHBondContact O-N 3.33Å; L553-A556 PolarHBondContact O-N 2.66Å; Q554-A556 VanDerWaalsContact C-N 3.31Å; Q554-A556 PolarHBondContact O-N 2.84Å; A556-V559 PolarHBondContact O-N 2.98Å; A556-L560 WeakPolarHBondContact O-CB 3.31Å; A556-L560 VanDerWaalsContact O-CG 3.3Å; A556-L560 WeakPolarHBondContact O-CG 3.24Å; A556-L560 PolarHBondContact O-N 3.34Å
557	K	71.4	Confident	64.2	Low	109 Å²	109	83.9 Å²	83.9	47%	0.474	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-42.2	172.5	-75	175.4	179.7	177.5	0	111.9	L553 Q554 V559 L560 A561	L553-K557 WeakPolarHBondContact O-CG 2.96Å; L553-K557 PolarHBondContact O-N 2.79Å; Q554-K557 WeakPolarHBondContact O-CB 3.09Å; Q554-K557 PolarHBondContact O-N 2.83Å; K557-V559 VanDerWaalsContact C-N 3.33Å; K557-L560 PolarHBondContact O-N 3.16Å; K557-A561 VanDerWaalsContact O-CB 3.3Å; K557-A561 WeakPolarHBondContact O-CB 3.5Å; K557-A561 PolarHBondContact O-N 2.77Å
558	D	77	Confident	64	Low	90 Å²	90	80.9 Å²	80.9	48%	0.481	47%	0.469	S	S	.	.	H	α-helix	trans	-66.3	-37.4	178.8	-63.6	-16.5	0	0	0	110.9	Q554 S555 S562	Q554-D558 PolarHBondContact NE2-OD1 3.37Å; Q554-D558 VanDerWaalsContact NE2-OD1 3.09Å; Q554-D558 WeakPolarHBondContact O-CB 3.43Å; Q554-D558 PolarHBondContact O-N 3.09Å; S555-D558 PolarHBondContact O-N 3.19Å; D558-S562 WeakPolarHBondContact O-CB 3.41Å; D558-S562 PolarHBondContact O-N 3.28Å
559	V	74.5	Confident	63.7	Low	84 Å²	84	84.2 Å²	84.2	51%	0.509	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-47.9	171.5	170.9	0	0	0	0	110.8	S555 A556 K557 A561 S562 V563	S555-V559 VanDerWaalsContact O-CG2 3.25Å; S555-V559 WeakPolarHBondContact O-CG2 3.2Å; S555-V559 PolarHBondContact O-N 3.11Å; A556-V559 PolarHBondContact O-N 2.98Å; K557-V559 VanDerWaalsContact C-N 3.33Å; V559-A561 VanDerWaalsContact C-N 3.34Å; V559-A561 PolarHBondContact O-N 3.41Å; V559-S562 WeakPolarHBondContact CA-OG 3.36Å; V559-S562 PolarHBondContact O-N 3.37Å; V559-S562 PolarHBondContact O-OG 2.83Å; V559-V563 HydrophobicContact CG1-CG2 4.49Å; V559-V563 VanDerWaalsContact O-CG2 3.3Å; V559-V563 WeakPolarHBondContact O-CG2 3.5Å; V559-V563 PolarHBondContact O-N 3.08Å
560	L	66	Low	63.5	Low	111 Å²	111	86 Å²	86	58%	0.581	48%	0.483	S	S	*	.	H	α-helix	trans	-62.3	-41.5	178	-72.8	170.3	0	0	0	112	A556 K557 S562 V563 E564	A556-L560 WeakPolarHBondContact O-CB 3.31Å; A556-L560 VanDerWaalsContact O-CG 3.3Å; A556-L560 WeakPolarHBondContact O-CG 3.24Å; A556-L560 PolarHBondContact O-N 3.34Å; K557-L560 PolarHBondContact O-N 3.16Å; L560-S562 VanDerWaalsContact C-N 3.33Å; L560-S562 PolarHBondContact O-N 3.38Å; L560-V563 PolarHBondContact O-N 2.93Å; L560-E564 PolarHBondContact O-N 3.37Å
561	A	72.8	Confident	62.8	Low	53 Å²	53	87.4 Å²	87.4	44%	0.438	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-36.7	174.8	0	0	0	0	0	111.9	K557 V559 V563 E564 A565	K557-A561 VanDerWaalsContact O-CB 3.3Å; K557-A561 WeakPolarHBondContact O-CB 3.5Å; K557-A561 PolarHBondContact O-N 2.77Å; V559-A561 VanDerWaalsContact C-N 3.34Å; V559-A561 PolarHBondContact O-N 3.41Å; A561-V563 VanDerWaalsContact C-N 3.34Å; A561-E564 PolarHBondContact O-N 2.84Å; A561-A565 VanDerWaalsContact O-CB 3.31Å; A561-A565 WeakPolarHBondContact O-CB 3.31Å; A561-A565 PolarHBondContact O-N 3.03Å
562	S	69.9	Low	61.3	Low	56 Å²	56	88.6 Å²	88.6	39%	0.392	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-36.5	173.4	77.3	0	0	0	0	112.1	D558 V559 L560 N566	D558-S562 WeakPolarHBondContact O-CB 3.41Å; D558-S562 PolarHBondContact O-N 3.28Å; V559-S562 WeakPolarHBondContact CA-OG 3.36Å; V559-S562 PolarHBondContact O-N 3.37Å; V559-S562 PolarHBondContact O-OG 2.83Å; L560-S562 VanDerWaalsContact C-N 3.33Å; L560-S562 PolarHBondContact O-N 3.38Å; S562-N566 WeakPolarHBondContact O-CB 3.26Å; S562-N566 PolarHBondContact O-N 3.36Å; S562-N566 PolarHBondContact O-ND2 3.41Å; S562-N566 PolarHBondContact O-OD1 3.19Å
563	V	65.6	Low	60.1	Low	72 Å²	72	92 Å²	92	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-69.5	-42.4	175.4	172.7	0	0	0	0	110.6	V559 L560 A561 N566 L567	V559-V563 HydrophobicContact CG1-CG2 4.49Å; V559-V563 VanDerWaalsContact O-CG2 3.3Å; V559-V563 WeakPolarHBondContact O-CG2 3.5Å; V559-V563 PolarHBondContact O-N 3.08Å; L560-V563 PolarHBondContact O-N 2.93Å; A561-V563 VanDerWaalsContact C-N 3.34Å; V563-N566 PolarHBondContact O-N 2.93Å; V563-L567 HydrophobicContact CG1-CD1 4.25Å; V563-L567 VanDerWaalsContact O-CG 3.28Å; V563-L567 WeakPolarHBondContact O-CG 3.04Å; V563-L567 PolarHBondContact O-N 3.16Å
564	E	64.7	Low	58.4	Low	127 Å²	127	96.1 Å²	96.1	59%	0.593	51%	0.51	S	S	*	.	H	α-helix	trans	-64.6	-40.5	174	-82.7	-179.3	162	0	0	112.5	L560 A561 N566 L567 I568	L560-E564 PolarHBondContact O-N 3.37Å; A561-E564 PolarHBondContact O-N 2.84Å; E564-N566 VanDerWaalsContact C-N 3.35Å; E564-N566 PolarHBondContact O-N 3.45Å; E564-L567 WeakPolarHBondContact O-CB 3.33Å; E564-L567 PolarHBondContact O-N 2.8Å; E564-L567 VanDerWaalsContact O-N 3.14Å; E564-I568 WeakPolarHBondContact O-CG1 3.49Å; E564-I568 PolarHBondContact O-N 3.46Å
565	A	63.3	Low	56.7	Low	47 Å²	47	99 Å²	99	39%	0.388	52%	0.523	S	S	.	.	H	α-helix	trans	-62.7	-41.7	174.9	0	0	0	0	0	111.9	A561 L567 I568 E569	A561-A565 VanDerWaalsContact O-CB 3.31Å; A561-A565 WeakPolarHBondContact O-CB 3.31Å; A561-A565 PolarHBondContact O-N 3.03Å; A565-L567 VanDerWaalsContact C-N 3.25Å; A565-L567 PolarHBondContact O-N 3.34Å; A565-I568 PolarHBondContact O-N 3.46Å; A565-I568 VanDerWaalsContact O-N 3.14Å; A565-E569 PolarHBondContact O-N 2.92Å
566	N	57	Low	55	Low	99 Å²	99	103.9 Å²	103.9	53%	0.529	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-27.3	174.8	-68	-15.5	0	0	0	112.6	S562 V563 E564 H570	S562-N566 WeakPolarHBondContact O-CB 3.26Å; S562-N566 PolarHBondContact O-N 3.36Å; S562-N566 PolarHBondContact O-ND2 3.41Å; S562-N566 PolarHBondContact O-OD1 3.19Å; V563-N566 PolarHBondContact O-N 2.93Å; E564-N566 VanDerWaalsContact C-N 3.35Å; E564-N566 PolarHBondContact O-N 3.45Å; N566-H570 PolarHBondContact O-N 3.37Å
567	L	49.8	Very low	53.4	Low	109 Å²	109	109.2 Å²	109.2	57%	0.571	56%	0.556	S	S	*	*	H	α-helix	trans	-73.1	-34.6	172.9	-72.4	164.9	0	0	0	111.6	V563 E564 A565 H570 E571	V563-L567 HydrophobicContact CG1-CD1 4.25Å; V563-L567 VanDerWaalsContact O-CG 3.28Å; V563-L567 WeakPolarHBondContact O-CG 3.04Å; V563-L567 PolarHBondContact O-N 3.16Å; E564-L567 WeakPolarHBondContact O-CB 3.33Å; E564-L567 PolarHBondContact O-N 2.8Å; E564-L567 VanDerWaalsContact O-N 3.14Å; A565-L567 VanDerWaalsContact C-N 3.25Å; A565-L567 PolarHBondContact O-N 3.34Å; L567-H570 WeakPolarHBondContact O-CB 3.25Å; L567-H570 PolarHBondContact O-N 3.4Å; L567-E571 PolarHBondContact O-N 3.34Å
568	I	50.7	Low	51.4	Low	97 Å²	97	112.7 Å²	112.7	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-73.9	-35.5	178.4	-65	164	0	0	0	111.6	E564 A565 H570 E571 H572	E564-I568 WeakPolarHBondContact O-CG1 3.49Å; E564-I568 PolarHBondContact O-N 3.46Å; A565-I568 PolarHBondContact O-N 3.46Å; A565-I568 VanDerWaalsContact O-N 3.14Å; I568-H570 PolarHBondContact O-N 3.2Å; I568-E571 PolarHBondContact O-N 3Å; I568-E571 VanDerWaalsContact O-N 3.17Å; I568-H572 PolarHBondContact O-N 3.02Å
569	E	49	Very low	49	Very low	136 Å²	136	116.5 Å²	116.5	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-64.4	-30.9	172.1	-73	-172.5	170.1	0	0	111.8	A565 E571 H572 E573	A565-E569 PolarHBondContact O-N 2.92Å; E569-E571 VanDerWaalsContact C-N 3.3Å; E569-E571 PolarHBondContact O-N 3.27Å; E569-H572 PolarHBondContact O-N 3.33Å; E569-E573 PolarHBondContact O-N 3.19Å
570	H	43.2	Very low	46.8	Very low	108 Å²	108	119.8 Å²	119.8	50%	0.5	60%	0.603	S	S	.	*	H	α-helix	trans	-71.4	-18.4	174.8	-110.9	-59.9	0	0	0	114.6	N566 L567 I568 Q574	N566-H570 PolarHBondContact O-N 3.37Å; L567-H570 WeakPolarHBondContact O-CB 3.25Å; L567-H570 PolarHBondContact O-N 3.4Å; I568-H570 PolarHBondContact O-N 3.2Å; H570-Q574 WeakPolarHBondContact O-CG 3.47Å; H570-Q574 PolarHBondContact O-NE2 2.86Å
571	E	43.6	Very low	44.8	Very low	129 Å²	129	122.8 Å²	122.8	60%	0.603	62%	0.615	S	S	*	*	H	α-helix	trans	-83.7	-28	172.9	-69.7	-169	161.4	0	0	112.2	L567 I568 E569	L567-E571 PolarHBondContact O-N 3.34Å; I568-E571 PolarHBondContact O-N 3Å; I568-E571 VanDerWaalsContact O-N 3.17Å; E569-E571 VanDerWaalsContact C-N 3.3Å; E569-E571 PolarHBondContact O-N 3.27Å
572	H	38.6	Very low	42.3	Very low	123 Å²	123	127.1 Å²	127.1	57%	0.569	63%	0.63	S	S	*	*	H	α-helix	trans	-78.3	-27.3	179.2	-86.7	-64.8	0	0	0	114	I568 E569	I568-H572 PolarHBondContact O-N 3.02Å; E569-H572 PolarHBondContact O-N 3.33Å
573	E	37.6	Very low	40.1	Very low	126 Å²	126	130.7 Å²	130.7	59%	0.589	65%	0.645	S	S	*	*	H	α-helix	trans	-80.1	-23.1	174.5	-66.7	-170	160.2	0	0	113.2	E569 Q575	E569-E573 PolarHBondContact O-N 3.19Å; E573-Q575 VanDerWaalsContact C-N 3.31Å; E573-Q575 PolarHBondContact O-N 2.7Å
574	Q	33	Very low	38.2	Very low	136 Å²	136	134.2 Å²	134.2	64%	0.636	66%	0.656	S	S	*	*	H	α-helix	trans	-74.1	-20	177.9	-76.2	177.1	58	0	0	113.5	H570	H570-Q574 WeakPolarHBondContact O-CG 3.47Å; H570-Q574 PolarHBondContact O-NE2 2.86Å
575	Q	32	Very low	36.3	Very low	158 Å²	158	136.4 Å²	136.4	74%	0.738	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-6.6	178.4	-66.4	-177	21.9	0	0	114.2	E573	E573-Q575 VanDerWaalsContact C-N 3.31Å; E573-Q575 PolarHBondContact O-N 2.7Å
576	Q	33	Very low	34.3	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	68%	0.681	S	S	*	*	S	Bend	trans	-113.3	4.2	-177.7	-70	-173.4	37.8	0	0	115
577	Q	29.1	Very low	32.7	Very low	159 Å²	159	144.7 Å²	144.7	74%	0.743	70%	0.696	S	S	*	*			trans	-116.1	12.4	178.1	-67.4	-175.3	14.3	0	0	114.9	Q579	Q577-Q579 PolarHBondContact O-N 3.1Å
578	E	29.1	Very low	31.6	Very low	181 Å²	181	144.3 Å²	144.3	85%	0.846	70%	0.695	S	S	*	*	S	Bend	trans	-80	11.5	169.7	-75.8	-167.6	155.9	0	0	114.3
579	Q	27.3	Very low	30.5	Very low	170 Å²	170	148 Å²	148	79%	0.794	71%	0.708	S	S	*	*	S	Bend	trans	-128.2	84.4	169.7	-70.3	-176.9	6.6	0	0	109.8	Q577	Q577-Q579 PolarHBondContact O-N 3.1Å
580	N	27	Very low	29.3	Very low	153 Å²	153	148.9 Å²	148.9	82%	0.818	72%	0.717	S	S	*	*			trans	172.1	109.8	136	-83	-33.1	0	0	0	111.5
581	Q	24	Very low	28.4	Very low	175 Å²	175	154.2 Å²	154.2	82%	0.818	73%	0.734	S	S	*	*			trans	19.2	122.7	147.9	-67.5	175.5	-5.6	0	0	120.8
582	D	21.3	Very low	27.6	Very low	144 Å²	144	153.6 Å²	153.6	77%	0.77	74%	0.744	S	S	*	*				27.1	106.3	124	-57.5	-31.1	0	0	0	117.9
583	D	23.9	Very low	27.2	Very low	131 Å²	131	151.6 Å²	151.6	70%	0.701	74%	0.744	S	S	*	*				161.9	132.3	105.3	-97.7	-35.9	0	0	0	113.4
584	H	25.6	Very low	26.7	Very low	146 Å²	146	153.6 Å²	153.6	68%	0.676	76%	0.757	S	S	*	*			trans	82	107.4	141.8	-66.2	2.9	0	0	0	122.4
585	Q	24.2	Very low	26.4	Very low	173 Å²	173	154.6 Å²	154.6	81%	0.808	77%	0.767	S	S	*	*				76.5	97.7	123.5	-68.3	170.9	22.4	0	0	120.2
586	Q	22.2	Very low	26.4	Very low	146 Å²	146	155 Å²	155	68%	0.682	77%	0.774	S	S	*	*			trans	-69.3	140.3	156	-76.6	159.1	-12.7	0	0	112.2
587	M	23.1	Very low	26.1	Very low	173 Å²	173	153.4 Å²	153.4	85%	0.852	77%	0.77	S	S	*	*			trans	-129.6	99.7	158.5	-76.6	-73.1	-78.7	0	0	107.3
588	D	26.8	Very low	26.1	Very low	102 Å²	102	152.6 Å²	152.6	55%	0.545	77%	0.77	S	S	.	*	P	Polyproline II helix	trans	-88.4	132.5	178.3	-73.5	-32.8	0	0	0	111.2
589	F	26.7	Very low	26	Very low	174 Å²	174	151.4 Å²	151.4	76%	0.763	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-97.8	124.9	175.5	-94.5	-91.3	0	0	0	110.8	H631	F589-H631 PolarHBondContact O-CE1 3.48Å; F589-H631 PolarHBondContact O-NE2 3.27Å
590	N	23.6	Very low	26	Very low	155 Å²	155	152.2 Å²	152.2	83%	0.829	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-70.6	139.4	176.6	-81	-32.5	0	0	0	113.4
591	Y	25.5	Very low	26	Very low	219 Å²	219	149.3 Å²	149.3	86%	0.859	76%	0.76	S	S	*	*			trans	-125.9	137.5	156.7	-108.9	-86.5	0	0	0	111.7
592	S	26.9	Very low	26.2	Very low	117 Å²	117	147.2 Å²	147.2	82%	0.818	75%	0.753	S	S	*	*			trans	-72	133.8	-179.5	164.9	0	0	0	0	112.7
593	S	29.7	Very low	26.3	Very low	80 Å²	80	147.5 Å²	147.5	56%	0.559	76%	0.755	S	S	*	*			trans	-149	110.1	158	68	0	0	0	0	110.6
594	L	27.7	Very low	26.4	Very low	168 Å²	168	149.4 Å²	149.4	88%	0.88	76%	0.759	S	S	*	*			trans	48.5	81	160.6	-93.2	66.6	0	0	0	116.6	L596	L594-L596 PolarHBondContact O-N 2.78Å; L594-L596 VanDerWaalsContact O-N 3.12Å
595	D	26.4	Very low	26.5	Very low	157 Å²	157	149.5 Å²	149.5	84%	0.84	77%	0.765	S	S	*	*			trans	-63.4	105.5	153.9	-88	-35.6	0	0	0	108.8	D597	D595-D597 PolarHBondContact O-N 2.84Å
596	L	31.4	Very low	26.5	Very low	168 Å²	168	148.9 Å²	148.9	88%	0.88	77%	0.767	S	S	*	*			trans	-72.8	101.3	157.4	-159.6	76.8	0	0	0	105.5	L594 L598	L594-L596 PolarHBondContact O-N 2.78Å; L594-L596 VanDerWaalsContact O-N 3.12Å; L596-L598 VanDerWaalsContact C-N 3.34Å; L596-L598 PolarHBondContact O-N 2.94Å
597	D	25.6	Very low	26.9	Very low	130 Å²	130	149.6 Å²	149.6	70%	0.695	78%	0.775	S	S	*	*			trans	-49.6	88.7	-177.7	-87.8	-36.4	0	0	0	112.6	D595	D595-D597 PolarHBondContact O-N 2.84Å
598	L	30.5	Very low	27.2	Very low	142 Å²	142	146.3 Å²	146.3	74%	0.743	77%	0.769	S	S	*	*			trans	-94	34.8	162	-160.3	70.7	0	0	0	110.3	L596	L596-L598 VanDerWaalsContact C-N 3.34Å; L596-L598 PolarHBondContact O-N 2.94Å
599	H	27.3	Very low	27.7	Very low	157 Å²	157	146.7 Å²	146.7	73%	0.727	78%	0.78	S	S	*	*			trans	-111.4	1.9	176.3	-103.8	-62.4	0	0	0	114.9
600	Q	26.3	Very low	28.4	Very low	186 Å²	186	145.6 Å²	145.6	87%	0.869	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	10.4	174.3	-74.2	-168.5	4.4	0	0	115.5
601	S	27	Very low	29.3	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	32.7	171.7	58.1	0	0	0	0	113.6
602	I	27.9	Very low	30.6	Very low	131 Å²	131	133.4 Å²	133.4	67%	0.672	73%	0.732	S	S	*	*			trans	-134.9	68	164.8	-50.1	177.4	0	0	0	108.6
603	N	24.6	Very low	31.9	Very low	151 Å²	151	129 Å²	129	81%	0.807	70%	0.702	S	S	*	*	S	Bend	trans	-146.3	119.9	154.3	-106.2	-23.3	0	0	0	107.9
604	H	26.4	Very low	33.2	Very low	170 Å²	170	129.7 Å²	129.7	79%	0.787	69%	0.692	S	S	*	*	S	Bend	trans	77.5	78.6	178.7	-59.1	-62.5	0	0	0	118
605	N	26.3	Very low	34.3	Very low	149 Å²	149	121.8 Å²	121.8	80%	0.797	65%	0.651	S	S	*	*				172.3	125.4	99.8	-91.5	-19.5	0	0	0	109.5
606	N	25.7	Very low	35.6	Very low	159 Å²	159	115.2 Å²	115.2	85%	0.85	62%	0.62	S	S	*	*			trans	-55.4	139	174.8	-67.7	-28.3	0	0	0	110.6
607	N	30.3	Very low	36.8	Very low	161 Å²	161	108.6 Å²	108.6	86%	0.861	59%	0.588	S	S	*	*			trans	94.2	66.6	172	-52.7	-14.8	0	0	0	117.2
608	S	29.3	Very low	37.9	Very low	105 Å²	105	105.7 Å²	105.7	73%	0.734	57%	0.568	S	S	*	*			trans	-162.4	86.2	136.1	50.6	0	0	0	0	110.1	I610	S608-I610 PolarHBondContact O-N 3.08Å
609	S	37.5	Very low	38.9	Very low	110 Å²	110	103 Å²	103	77%	0.769	55%	0.548	S	S	*	.			trans	-70.5	95.6	167.4	54.7	0	0	0	0	108.5	P611	S609-P611 WeakPolarHBondContact O-CD 3.37Å
610	I	40.8	Very low	40.1	Very low	151 Å²	151	100 Å²	100	77%	0.774	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-67.8	118.7	168.9	-59.5	168	0	0	0	106.4	S608 L612	S608-I610 PolarHBondContact O-N 3.08Å; I610-L612 PolarHBondContact O-N 3.18Å
611	P	43.3	Very low	41.4	Very low	45 Å²	45	97.7 Å²	97.7	29%	0.292	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-61.2	132	179.7	22.7	-31.1	0	0	0	110.5	T9 L11 S609	T9-P611 VanDerWaalsContact O-CB 3.29Å; T9-P611 WeakPolarHBondContact O-CB 3.34Å; L11-P611 HydrophobicContact CD2-CB 4.07Å; L11-P611 HydrophobicContact CD2-CG 3.79Å; S609-P611 WeakPolarHBondContact O-CD 3.37Å
612	L	51.2	Low	42.5	Very low	73 Å²	73	97 Å²	97	38%	0.382	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-74.8	133.6	179	-143.3	79.9	0	0	0	108.9	A8 C10 L11 I610 L620	A8-L612 HydrophobicContact CB-CB 3.87Å; A8-L612 HydrophobicContact CB-CD2 4.09Å; C10-L612 WeakPolarHBondContact CA-O 3.43Å; L11-L612 PolarHBondContact N-O 3.23Å; I610-L612 PolarHBondContact O-N 3.18Å; L612-L620 HydrophobicContact CD2-CD1 4.09Å
613	S	55.2	Low	43.6	Very low	25 Å²	25	96.7 Å²	96.7	18%	0.175	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-57.1	142.9	172	165.7	0	0	0	0	111.2	E27 A615 G616 S617	E27-S613 VanDerWaalsContact OE1-CA 3.32Å; E27-S613 WeakPolarHBondContact OE1-CA 3.49Å; E27-S613 WeakPolarHBondContact OE1-CB 3.35Å; E27-S613 PolarHBondContact OE1-OG 3.47Å; E27-S613 WeakPolarHBondContact OE2-CB 3.34Å; E27-S613 PolarHBondContact OE2-OG 3.11Å; S613-A615 PolarHBondContact O-N 3.15Å; S613-A615 WeakPolarHBondContact OG-CB 3.5Å; S613-A615 PolarHBondContact OG-N 2.88Å; S613-A615 VanDerWaalsContact OG-N 3.16Å; S613-G616 WeakPolarHBondContact O-CA 3.34Å; S613-G616 PolarHBondContact O-N 2.86Å; S613-S617 PolarHBondContact O-N 3.03Å; S613-S617 VanDerWaalsContact O-N 3.11Å
614	R	55.7	Low	44.6	Very low	93 Å²	93	95.5 Å²	95.5	35%	0.351	49%	0.492	S	S	.	.	H	α-helix	trans	-54.2	-36.6	170.8	-176.7	174.1	174.8	136.4	-1.4	110.1	C10 E27 L516 E519 S617 Y618	C10-R614 HydrophobicContact CB-CB 4.32Å; E27-R614 WeakPolarHBondContact OE1-CB 3.23Å; E27-R614 PolarHBondContact OE1-N 2.92Å; L516-R614 HydrophobicContact CD1-CG 4.24Å; E519-R614 IonicContact OE1-CZ 2.76Å; E519-R614 IonicContact OE1-NE 2.91Å; E519-R614 IonicContact OE1-NH2 3.82Å; E519-R614 PolarHBondContact OE1-NH2 2.84Å; R614-S617 WeakPolarHBondContact O-CB 3.36Å; R614-S617 PolarHBondContact O-N 3.46Å; R614-Y618 HydrophobicContact CG-CE2 4.15Å; R614-Y618 WeakPolarHBondContact O-CD2 3.32Å; R614-Y618 PolarHBondContact O-N 2.89Å
615	A	50.9	Low	45.7	Very low	3 Å²	3	93.8 Å²	93.8	3%	0.025	48%	0.482	C	S	.	.	H	α-helix	trans	-72.1	-33.4	172.9	0	0	0	0	0	114	L36 S613 S617 Y618 R619	L36-A615 HydrophobicContact CB-CB 4.45Å; L36-A615 HydrophobicContact CD1-CB 3.14Å; L36-A615 HydrophobicContact CG-CB 3.76Å; S613-A615 PolarHBondContact O-N 3.15Å; S613-A615 WeakPolarHBondContact OG-CB 3.5Å; S613-A615 PolarHBondContact OG-N 2.88Å; S613-A615 VanDerWaalsContact OG-N 3.16Å; A615-S617 VanDerWaalsContact C-N 3.25Å; A615-S617 PolarHBondContact O-N 2.96Å; A615-Y618 CarbonylContact O-C 3.59Å; A615-Y618 WeakPolarHBondContact O-CA 3.38Å; A615-Y618 VanDerWaalsContact O-CB 3.31Å; A615-Y618 WeakPolarHBondContact O-CB 3.28Å; A615-Y618 PolarHBondContact O-N 3.37Å; A615-R619 PolarHBondContact O-N 3.47Å
616	G	54.8	Low	46.5	Very low	18 Å²	18	93.6 Å²	93.6	19%	0.186	48%	0.476	C	S	.	.	H	α-helix	trans	-59.8	-35.9	170.9	0	0	0	0	0	112.8	S613 Y618 R619 L620	S613-G616 WeakPolarHBondContact O-CA 3.34Å; S613-G616 PolarHBondContact O-N 2.86Å; G616-Y618 VanDerWaalsContact C-N 3.33Å; G616-R619 WeakPolarHBondContact O-CB 3.4Å; G616-R619 PolarHBondContact O-N 3.47Å; G616-L620 PolarHBondContact O-N 3.08Å
617	S	56.2	Low	47.3	Very low	30 Å²	30	90.8 Å²	90.8	21%	0.21	46%	0.457	C	S	.	.	H	α-helix	trans	-66.7	-33.8	170.8	-59.3	0	0	0	0	112.2	S613 R614 A615 K621	S613-S617 PolarHBondContact O-N 3.03Å; S613-S617 VanDerWaalsContact O-N 3.11Å; R614-S617 WeakPolarHBondContact O-CB 3.36Å; R614-S617 PolarHBondContact O-N 3.46Å; A615-S617 VanDerWaalsContact C-N 3.25Å; A615-S617 PolarHBondContact O-N 2.96Å; S617-K621 WeakPolarHBondContact O-CB 3.29Å; S617-K621 WeakPolarHBondContact O-CG 3.34Å; S617-K621 PolarHBondContact O-N 2.86Å
618	Y	49.8	Very low	47.6	Very low	69 Å²	69	86 Å²	86	27%	0.271	44%	0.437	S	S	.	.	H	α-helix	trans	-69.1	-37.1	171.2	-76.7	-68.6	0	0	0	113.2	E519 R614 A615 G616 L620 K621 R622	E519-Y618 PolarHBondContact OE1-OH 2.87Å; E519-Y618 VanDerWaalsContact OE2-CE2 3.22Å; E519-Y618 WeakPolarHBondContact OE2-CE2 3.3Å; E519-Y618 PolarHBondContact OE2-OH 3.01Å; R614-Y618 HydrophobicContact CG-CE2 4.15Å; R614-Y618 WeakPolarHBondContact O-CD2 3.32Å; R614-Y618 PolarHBondContact O-N 2.89Å; A615-Y618 CarbonylContact O-C 3.59Å; A615-Y618 WeakPolarHBondContact O-CA 3.38Å; A615-Y618 VanDerWaalsContact O-CB 3.31Å; A615-Y618 WeakPolarHBondContact O-CB 3.28Å; A615-Y618 PolarHBondContact O-N 3.37Å; G616-Y618 VanDerWaalsContact C-N 3.33Å; Y618-L620 VanDerWaalsContact C-N 3.33Å; Y618-L620 PolarHBondContact O-N 2.8Å; Y618-K621 CarbonylContact O-C 3.49Å; Y618-K621 PolarHBondContact O-N 2.87Å; Y618-R622 WeakPolarHBondContact O-CB 3.45Å; Y618-R622 PolarHBondContact O-N 3.16Å
619	R	51.3	Low	47.8	Very low	86 Å²	86	86 Å²	86	33%	0.325	43%	0.429	S	S	.	.	H	α-helix	trans	-56.1	-48.9	171.1	-78.9	-177.2	173	175.1	-3.9	111.4	E512 A615 G616 R622 H623	E512-R619 VanDerWaalsContact CD-NE 3.27Å; E512-R619 IonicContact OE1-CZ 2.93Å; E512-R619 VanDerWaalsContact OE1-CZ 3.29Å; E512-R619 IonicContact OE1-NE 3.71Å; E512-R619 PolarHBondContact OE1-NE 3.3Å; E512-R619 IonicContact OE1-NH2 2.74Å; E512-R619 PolarHBondContact OE1-NH2 3.01Å; E512-R619 IonicContact OE2-CZ 3.23Å; E512-R619 IonicContact OE2-NE 3.29Å; E512-R619 PolarHBondContact OE2-NE 2.93Å; E512-R619 IonicContact OE2-NH2 3.01Å; E512-R619 PolarHBondContact OE2-NH2 3.08Å; A615-R619 PolarHBondContact O-N 3.47Å; G616-R619 WeakPolarHBondContact O-CB 3.4Å; G616-R619 PolarHBondContact O-N 3.47Å; R619-R622 PolarHBondContact O-N 3.48Å; R619-H623 WeakPolarHBondContact O-CB 3.44Å; R619-H623 PolarHBondContact O-N 3.28Å
620	L	51.9	Low	47.6	Very low	94 Å²	94	89.6 Å²	89.6	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-62.2	-45.5	175.9	-73.3	163.8	0	0	0	111.3	L612 G616 Y618 H623 H624	L612-L620 HydrophobicContact CD2-CD1 4.09Å; G616-L620 PolarHBondContact O-N 3.08Å; Y618-L620 VanDerWaalsContact C-N 3.33Å; Y618-L620 PolarHBondContact O-N 2.8Å; L620-H623 PolarHBondContact O-N 3.36Å; L620-H624 VanDerWaalsContact O-CB 3.3Å; L620-H624 WeakPolarHBondContact O-CB 3.29Å; L620-H624 PolarHBondContact O-CD2 2.9Å; L620-H624 VanDerWaalsContact O-CG 3.25Å; L620-H624 PolarHBondContact O-N 2.88Å
621	K	53.9	Low	47.3	Very low	136 Å²	136	86.5 Å²	86.5	59%	0.591	41%	0.413	S	S	*	.	H	α-helix	trans	-64.8	-39.6	176.9	-78.2	-179.3	-179.7	178.1	0	113.6	S617 Y618 H624 K625	S617-K621 WeakPolarHBondContact O-CB 3.29Å; S617-K621 WeakPolarHBondContact O-CG 3.34Å; S617-K621 PolarHBondContact O-N 2.86Å; Y618-K621 CarbonylContact O-C 3.49Å; Y618-K621 PolarHBondContact O-N 2.87Å; K621-H624 CarbonylContact O-C 3.58Å; K621-H624 PolarHBondContact O-N 3.45Å; K621-K625 WeakPolarHBondContact O-CB 3.37Å; K621-K625 PolarHBondContact O-N 3.23Å
622	R	50.4	Low	46.7	Very low	79 Å²	79	91.2 Å²	91.2	30%	0.298	43%	0.428	S	S	.	.	H	α-helix	trans	-69.1	-45.1	175.6	-78.4	-157.7	-141.4	137.1	9	110.9	E515 Y618 R619 H624 K625 H626	E515-R622 IonicContact OE1-CZ 3.32Å; E515-R622 IonicContact OE1-NE 2.88Å; E515-R622 IonicContact OE1-NH2 2.87Å; E515-R622 PolarHBondContact OE1-NH2 3.38Å; E515-R622 VanDerWaalsContact OE1-NH2 3.1Å; E515-R622 IonicContact OE2-CZ 2.91Å; E515-R622 VanDerWaalsContact OE2-CZ 3.25Å; E515-R622 IonicContact OE2-NE 3.79Å; E515-R622 PolarHBondContact OE2-NE 3.14Å; E515-R622 IonicContact OE2-NH2 3.02Å; E515-R622 PolarHBondContact OE2-NH2 2.89Å; Y618-R622 WeakPolarHBondContact O-CB 3.45Å; Y618-R622 PolarHBondContact O-N 3.16Å; R619-R622 PolarHBondContact O-N 3.48Å; R622-H624 VanDerWaalsContact C-N 3.27Å; R622-H624 PolarHBondContact O-N 2.73Å; R622-K625 PolarHBondContact O-N 2.79Å; R622-H626 PolarHBondContact O-CD2 3.17Å; R622-H626 VanDerWaalsContact O-CD2 3.25Å; R622-H626 PolarHBondContact O-N 2.87Å
623	H	49.6	Very low	45.7	Very low	124 Å²	124	96.3 Å²	96.3	57%	0.574	45%	0.45	S	S	*	.	H	α-helix	trans	-56.2	-47.2	171.9	-101.8	-87.9	0	0	0	110.1	R619 L620 K625 H626 H627	R619-H623 WeakPolarHBondContact O-CB 3.44Å; R619-H623 PolarHBondContact O-N 3.28Å; L620-H623 PolarHBondContact O-N 3.36Å; H623-K625 VanDerWaalsContact C-N 3.33Å; H623-K625 PolarHBondContact O-N 2.64Å; H623-H626 PolarHBondContact O-N 3.12Å; H623-H627 AromaticContact ND1-NE2 3.98Å; H623-H627 WeakPolarHBondContact O-CB 3.42Å; H623-H627 PolarHBondContact O-CD2 3.46Å; H623-H627 PolarHBondContact O-N 3.46Å
624	H	46.3	Very low	44.4	Very low	125 Å²	125	98.3 Å²	98.3	58%	0.579	47%	0.474	S	S	*	.	H	α-helix	trans	-62	-35.8	174.3	-74.6	-48	0	0	0	113.2	L620 K621 R622 H627 S628	L620-H624 VanDerWaalsContact O-CB 3.3Å; L620-H624 WeakPolarHBondContact O-CB 3.29Å; L620-H624 PolarHBondContact O-CD2 2.9Å; L620-H624 VanDerWaalsContact O-CG 3.25Å; L620-H624 PolarHBondContact O-N 2.88Å; K621-H624 CarbonylContact O-C 3.58Å; K621-H624 PolarHBondContact O-N 3.45Å; R622-H624 VanDerWaalsContact C-N 3.27Å; R622-H624 PolarHBondContact O-N 2.73Å; H624-H627 CarbonylContact O-C 3.57Å; H624-H627 PolarHBondContact O-N 2.92Å; H624-S628 WeakPolarHBondContact O-CA 3.49Å; H624-S628 WeakPolarHBondContact O-CB 3.37Å; H624-S628 PolarHBondContact O-N 3.33Å; H624-S628 PolarHBondContact O-OG 3.31Å
625	K	50	Low	43	Very low	134 Å²	134	101.4 Å²	101.4	58%	0.583	50%	0.497	S	S	*	.	H	α-helix	trans	-72	-39.5	178.5	-166.5	175.8	-179	-178.6	0	112.6	K621 R622 H623 H627 S628 N629	K621-K625 WeakPolarHBondContact O-CB 3.37Å; K621-K625 PolarHBondContact O-N 3.23Å; R622-K625 PolarHBondContact O-N 2.79Å; H623-K625 VanDerWaalsContact C-N 3.33Å; H623-K625 PolarHBondContact O-N 2.64Å; K625-H627 VanDerWaalsContact C-N 3.32Å; K625-S628 WeakPolarHBondContact CA-OG 3.48Å; K625-S628 PolarHBondContact O-N 3.34Å; K625-S628 PolarHBondContact O-OG 2.83Å; K625-N629 VanDerWaalsContact O-CB 3.32Å; K625-N629 WeakPolarHBondContact O-CB 3.41Å; K625-N629 PolarHBondContact O-N 2.69Å
626	H	42.4	Very low	41.9	Very low	145 Å²	145	108.7 Å²	108.7	67%	0.671	54%	0.536	S	S	*	.	H	α-helix	trans	-69.6	-30.8	173.1	-76.2	-69.6	0	0	0	112.1	R622 H623	R622-H626 PolarHBondContact O-CD2 3.17Å; R622-H626 VanDerWaalsContact O-CD2 3.25Å; R622-H626 PolarHBondContact O-N 2.87Å; H623-H626 PolarHBondContact O-N 3.12Å
627	H	41.9	Very low	40.5	Very low	100 Å²	100	119.7 Å²	119.7	46%	0.463	57%	0.572	S	S	.	*	H	α-helix	trans	-79.2	-32.2	170.8	-75.7	-68.7	0	0	0	113	H623 H624 K625	H623-H627 AromaticContact ND1-NE2 3.98Å; H623-H627 WeakPolarHBondContact O-CB 3.42Å; H623-H627 PolarHBondContact O-CD2 3.46Å; H623-H627 PolarHBondContact O-N 3.46Å; H624-H627 CarbonylContact O-C 3.57Å; H624-H627 PolarHBondContact O-N 2.92Å; K625-H627 VanDerWaalsContact C-N 3.32Å
628	S	37.8	Very low	39	Very low	61 Å²	61	125.4 Å²	125.4	43%	0.427	60%	0.599	S	S	.	*	H	α-helix	trans	-79.5	-28.6	-179.4	73	0	0	0	0	113.1	H624 K625 K630 H631	H624-S628 WeakPolarHBondContact O-CA 3.49Å; H624-S628 WeakPolarHBondContact O-CB 3.37Å; H624-S628 PolarHBondContact O-N 3.33Å; H624-S628 PolarHBondContact O-OG 3.31Å; K625-S628 WeakPolarHBondContact CA-OG 3.48Å; K625-S628 PolarHBondContact O-N 3.34Å; K625-S628 PolarHBondContact O-OG 2.83Å; S628-K630 PolarHBondContact O-N 3.19Å; S628-H631 PolarHBondContact O-N 3.09Å; S628-H631 VanDerWaalsContact O-N 3.15Å
629	N	33.7	Very low	37.8	Very low	106 Å²	106	131.2 Å²	131.2	57%	0.567	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-0.8	178.1	-82.7	9.9	0	0	0	113.9	K625	K625-N629 VanDerWaalsContact O-CB 3.32Å; K625-N629 WeakPolarHBondContact O-CB 3.41Å; K625-N629 PolarHBondContact O-N 2.69Å
630	K	31.9	Very low	36.5	Very low	184 Å²	184	132.5 Å²	132.5	80%	0.8	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-3.8	165.9	-84.7	-175.4	174.8	178.9	0	114.2	S628	S628-K630 PolarHBondContact O-N 3.19Å
631	H	34.9	Very low	35.2	Very low	87 Å²	87	134.2 Å²	134.2	40%	0.403	67%	0.665	S	S	.	*	S	Bend	trans	-116.3	17.5	177.8	-74.1	-66.1	0	0	0	114.6	F589 S628	F589-H631 PolarHBondContact O-CE1 3.48Å; F589-H631 PolarHBondContact O-NE2 3.27Å; S628-H631 PolarHBondContact O-N 3.09Å; S628-H631 VanDerWaalsContact O-N 3.15Å
632	K	30.9	Very low	33.8	Very low	144 Å²	144	135.2 Å²	135.2	63%	0.626	67%	0.671	S	S	*	*			trans	-126	73.5	171.8	-73.9	-171.8	177.1	-176.1	0	111.4
633	H	30.5	Very low	32.4	Very low	180 Å²	180	140.1 Å²	140.1	83%	0.833	70%	0.7	S	S	*	*			trans	-158.7	98.8	136.8	-96.9	-63.8	0	0	0	106.9	N635	H633-N635 PolarHBondContact O-N 3.22Å
634	G	27.1	Very low	31.3	Very low	66 Å²	66	142.2 Å²	142.2	68%	0.68	71%	0.707	S	S	*	*			trans	-60.3	131.1	156.5	0	0	0	0	0	108.2	D636	G634-D636 PolarHBondContact O-N 3.13Å
635	N	27.8	Very low	30.2	Very low	158 Å²	158	143.9 Å²	143.9	85%	0.845	72%	0.72	S	S	*	*	S	Bend	trans	40.1	72.7	154.8	-64.7	-17.3	0	0	0	116.8	H633	H633-N635 PolarHBondContact O-N 3.22Å
636	D	26.9	Very low	28.9	Very low	157 Å²	157	144 Å²	144	84%	0.84	73%	0.726	S	S	*	*			trans	-134.5	125.8	133	-95.9	-33.7	0	0	0	110.6	G634 I638	G634-D636 PolarHBondContact O-N 3.13Å; D636-I638 PolarHBondContact O-N 3.18Å
637	R	25.4	Very low	28	Very low	248 Å²	248	145.9 Å²	145.9	94%	0.936	74%	0.735	S	S	*	*			trans	-68.2	96.4	-175.8	-74	170.6	166.4	172.7	-3.9	109.6
638	I	24.6	Very low	27	Very low	150 Å²	150	151.2 Å²	151.2	77%	0.769	75%	0.753	S	S	*	*			trans	-127.8	110.8	159.4	-56	-179.6	0	0	0	108	D636 S640	D636-I638 PolarHBondContact O-N 3.18Å; I638-S640 PolarHBondContact O-N 2.88Å
639	Q	23.9	Very low	26.4	Very low	192 Å²	192	154.1 Å²	154.1	90%	0.897	77%	0.773	S	S	*	*			trans	-60.5	95.7	173.4	-79.2	171.4	-19.9	0	0	109.5	V641	Q639-V641 PolarHBondContact O-N 2.85Å
640	S	24	Very low	25.8	Very low	112 Å²	112	156 Å²	156	78%	0.783	79%	0.789	S	S	*	*			trans	-80.4	108.8	167	57.1	0	0	0	0	109.1	I638 E642	I638-S640 PolarHBondContact O-N 2.88Å; S640-E642 PolarHBondContact O-N 3.45Å
641	V	25.3	Very low	25.5	Very low	131 Å²	131	150.6 Å²	150.6	79%	0.794	79%	0.785	S	S	*	*			trans	-54.1	120.7	176.1	174.9	0	0	0	0	110.6	Q639 M643	Q639-V641 PolarHBondContact O-N 2.85Å; V641-M643 PolarHBondContact O-N 3.45Å
642	E	24	Very low	25.1	Very low	156 Å²	156	152.5 Å²	152.5	73%	0.729	80%	0.803	S	S	*	*			trans	-66.4	114.4	170.4	-168	178	-155.1	0	0	108.8	S640 K644	S640-E642 PolarHBondContact O-N 3.45Å; E642-K644 VanDerWaalsContact C-N 3.34Å; E642-K644 PolarHBondContact O-N 2.9Å
643	M	21.1	Very low	24.9	Very low	183 Å²	183	153.3 Å²	153.3	90%	0.901	81%	0.814	S	S	*	*			trans	-67.9	91	173.8	-67.9	-173.8	-169.3	0	0	109.2	V641	V641-M643 PolarHBondContact O-N 3.45Å
644	K	26.1	Very low	24.8	Very low	168 Å²	168	152.3 Å²	152.3	73%	0.73	81%	0.814	S	S	*	*			trans	-75	129.8	163.4	-84.7	-179.7	177.4	174.7	0	109.3	E642 I646	E642-K644 VanDerWaalsContact C-N 3.34Å; E642-K644 PolarHBondContact O-N 2.9Å; K644-I646 PolarHBondContact O-N 2.66Å
645	N	24.2	Very low	24.8	Very low	159 Å²	159	156 Å²	156	85%	0.85	82%	0.818	S	S	*	*			trans	-38.8	116.6	176.7	-64.6	-26.3	0	0	0	111.9	E647	N645-E647 PolarHBondContact O-N 3.29Å; N645-E647 VanDerWaalsContact O-N 3.13Å
646	I	23.5	Very low	24.9	Very low	137 Å²	137	158.1 Å²	158.1	70%	0.703	82%	0.82	S	S	*	*			trans	-78.4	95	175.1	-60.5	170.9	0	0	0	106.9	K644	K644-I646 PolarHBondContact O-N 2.66Å
647	E	22.3	Very low	24.7	Very low	184 Å²	184	156.2 Å²	156.2	86%	0.86	82%	0.819	S	S	*	*			trans	-71.9	118.5	161	-89.9	-179.2	153.6	0	0	108.8	N645 S649	N645-E647 PolarHBondContact O-N 3.29Å; N645-E647 VanDerWaalsContact O-N 3.13Å; E647-S649 PolarHBondContact O-N 3.22Å; E647-S649 VanDerWaalsContact O-N 3.16Å
648	Y	22	Very low	24.7	Very low	212 Å²	212	152.3 Å²	152.3	83%	0.831	82%	0.816	S	S	*	*			trans	-72.6	102.3	173.7	-65.2	-86.3	0	0	0	109.4
649	S	23.5	Very low	24.6	Very low	122 Å²	122	151.6 Å²	151.6	85%	0.853	82%	0.819	S	S	*	*			trans	-108.6	116.5	160.6	-118.3	0	0	0	0	109.5	E647 G651	E647-S649 PolarHBondContact O-N 3.22Å; E647-S649 VanDerWaalsContact O-N 3.16Å; S649-G651 PolarHBondContact O-N 2.78Å
650	T	22.5	Very low	24.6	Very low	146 Å²	146	150.7 Å²	150.7	90%	0.896	82%	0.819	S	S	*	*			trans	-65	117.2	179.1	49.9	0	0	0	0	110.6
651	G	25.7	Very low	24.5	Very low	71 Å²	71	154.2 Å²	154.2	73%	0.732	82%	0.823	S	S	*	*			trans	-164.1	107.8	175.1	0	0	0	0	0	111.2	S649	S649-G651 PolarHBondContact O-N 2.78Å
652	T	26.3	Very low	24.4	Very low	127 Å²	127	155.4 Å²	155.4	78%	0.779	82%	0.824	S	S	*	*			trans	-57.1	124.5	171.4	47.8	0	0	0	0	111.3
653	D	27	Very low	24.2	Very low	160 Å²	160	153.9 Å²	153.9	86%	0.856	83%	0.827	S	S	*	*				167.8	137.8	122.9	-82	-21.7	0	0	0	112.6
654	L	27	Very low	24.3	Very low	159 Å²	159	153.7 Å²	153.7	83%	0.832	82%	0.824	S	S	*	*			trans	-72.9	143.3	-173	-70	153.3	0	0	0	112.9
655	N	28.7	Very low	24.1	Very low	144 Å²	144	154.3 Å²	154.3	77%	0.77	83%	0.834	S	S	*	*			trans	71.2	95.5	155.3	-61.8	-23.4	0	0	0	119.4
656	K	29.7	Very low	24	Very low	203 Å²	203	153.6 Å²	153.6	88%	0.883	83%	0.831	S	S	*	*				-178.6	133.7	121.5	-98.5	163	-173.6	179.8	0	112.8
657	S	22.8	Very low	24	Very low	116 Å²	116	153.7 Å²	153.7	81%	0.811	83%	0.831	S	S	*	*			trans	-67.4	132	170.6	47.9	0	0	0	0	112.4
658	L	23.9	Very low	23.9	Very low	167 Å²	167	152 Å²	152	87%	0.874	83%	0.828	S	S	*	*			trans	-135.8	137.2	168.6	-121.7	96.2	0	0	0	112.2
659	T	23.6	Very low	23.9	Very low	135 Å²	135	146.6 Å²	146.6	83%	0.828	82%	0.821	S	S	*	*			trans	-96.9	150.5	-175	-5	0	0	0	0	111.3
660	L	24	Very low	23.9	Very low	173 Å²	173	145.2 Å²	145.2	91%	0.906	81%	0.811	S	S	*	*			trans	-145.3	147.6	167	-136.2	103.2	0	0	0	113.4
661	Q	20.4	Very low	24	Very low	186 Å²	186	147.2 Å²	147.2	87%	0.869	81%	0.808	S	S	*	*			trans	-113.9	143.5	-159.5	-165.6	179.2	10.3	0	0	111.4
662	I	23.8	Very low	23.8	Very low	156 Å²	156	147.4 Å²	147.4	80%	0.8	80%	0.798	S	S	*	*			trans	-118	132.1	-175.7	-58.4	172.5	0	0	0	111
663	P	21.1	Very low	23.7	Very low	124 Å²	124	149.8 Å²	149.8	81%	0.805	80%	0.8	S	S	*	*			trans	-94.2	155.9	176.3	6.8	13.2	0	0	0	115
664	Q	21.8	Very low	23.4	Very low	178 Å²	178	153.8 Å²	153.8	83%	0.832	80%	0.803	S	S	*	*			trans	-94.4	149.4	-174.7	-68	-81.7	-22.8	0	0	113.3
665	L	21.5	Very low	23.2	Very low	181 Å²	181	154.4 Å²	154.4	95%	0.948	81%	0.806	S	S	*	*			trans	-154.2	154	154	-92.1	176.2	0	0	0	111.9
666	N	22.1	Very low	23	Very low	145 Å²	145	154.3 Å²	154.3	78%	0.775	81%	0.805	S	S	*	*			trans	-128.8	170.8	-149.5	-158.1	15	0	0	0	111.4
667	I	23.9	Very low	22.7	Very low	139 Å²	139	150.6 Å²	150.6	71%	0.713	80%	0.795	S	S	*	*			trans	114.5	109.2	153.6	-57.1	158.1	0	0	0	119.6
668	D	21.8	Very low	22.6	Very low	149 Å²	149	151.4 Å²	151.4	80%	0.797	79%	0.79	S	S	*	*				54.8	164.7	123.4	-50.5	-19.2	0	0	0	126.9
669	S	22	Very low	22.7	Very low	97 Å²	97	150.3 Å²	150.3	68%	0.678	79%	0.785	S	S	*	*			trans	-108.3	170.8	-146.7	51.3	0	0	0	0	117.2
670	S	22.4	Very low	22.7	Very low	93 Å²	93	150 Å²	150	65%	0.65	78%	0.784	S	S	*	*			trans	87.7	117.1	156.9	75.8	0	0	0	0	119.3
671	F	24.8	Very low	22.5	Very low	188 Å²	188	150.7 Å²	150.7	83%	0.825	78%	0.784	S	S	*	*				-178.7	130.6	123.3	-116.3	-92.5	0	0	0	112.5
672	S	21.9	Very low	22.8	Very low	75 Å²	75	147.9 Å²	147.9	52%	0.524	78%	0.779	S	S	.	*			trans	-119.5	141.8	165.8	-56.5	0	0	0	0	107.7
673	Q	23.4	Very low	22.7	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	77%	0.774	S	S	*	*			trans	166.9	122.8	137.5	-94.9	172.4	0.5	0	0	114.5
674	R	20.4	Very low	22.6	Very low	245 Å²	245	145.3 Å²	145.3	93%	0.925	77%	0.769	S	S	*	*			trans	34.4	126	137.3	-68.8	-176.7	179.5	-177	-0.1	121
675	I	24.4	Very low	22.6	Very low	171 Å²	171	142.6 Å²	142.6	88%	0.877	77%	0.765	S	S	*	*			trans	-117.4	130.7	159.4	-66	175.3	0	0	0	109.3
676	N	24.4	Very low	22.7	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	76%	0.756	S	S	*	*			trans	-145.2	132.3	165.2	-135.5	9.9	0	0	0	109
677	N	22.3	Very low	22.8	Very low	125 Å²	125	138.8 Å²	138.8	67%	0.668	76%	0.755	S	S	*	*			trans	63.2	121.2	154.8	-64.6	-14.4	0	0	0	123.4
678	N	21.8	Very low	22.8	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	76%	0.76	S	S	*	*				59.7	125.9	127.6	-61.5	-9.8	0	0	0	122.7
679	N	24.2	Very low	22.9	Very low	144 Å²	144	140.5 Å²	140.5	77%	0.77	76%	0.759	S	S	*	*			trans	91.2	129.4	142.9	-67.8	-8.9	0	0	0	121.5
680	T	24.9	Very low	23	Very low	129 Å²	129	144 Å²	144	79%	0.791	77%	0.77	S	S	*	*			trans	75.8	110.4	146	50.8	0	0	0	0	122
681	M	20.4	Very low	23	Very low	186 Å²	186	145.2 Å²	145.2	92%	0.916	78%	0.778	S	S	*	*			trans	47.7	143.6	135.6	-71.4	-145.9	142.3	0	0	123.7
682	V	25.2	Very low	22.9	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	78%	0.779	S	S	*	*			trans	115.3	96.3	153.9	-174.1	0	0	0	0	116.1
683	T	21.5	Very low	22.9	Very low	113 Å²	113	148.6 Å²	148.6	69%	0.693	79%	0.793	S	S	*	*				57.9	118.4	120.7	-28.7	0	0	0	0	122.2
684	T	20.5	Very low	22.9	Very low	113 Å²	113	145.7 Å²	145.7	69%	0.693	79%	0.786	S	S	*	*			trans	74.2	118.3	141.5	51.8	0	0	0	0	123.5
685	T	20.9	Very low	23.1	Very low	121 Å²	121	138.8 Å²	138.8	74%	0.742	77%	0.773	S	S	*	*			trans	77.8	135.3	135.8	56.8	0	0	0	0	120.8
686	T	24.3	Very low	23	Very low	124 Å²	124	137.7 Å²	137.7	76%	0.761	77%	0.77	S	S	*	*			trans	90.5	113.9	165	66.6	0	0	0	0	118.2
687	T	23.7	Very low	22.9	Very low	122 Å²	122	138.9 Å²	138.9	75%	0.748	78%	0.775	S	S	*	*			trans	67.4	112.2	143.3	57.4	0	0	0	0	119.9
688	L	23.7	Very low	22.9	Very low	156 Å²	156	139.1 Å²	139.1	82%	0.817	78%	0.776	S	S	*	*			trans	92.1	126.7	139.8	-70.1	157.9	0	0	0	118.6
689	E	23.6	Very low	22.9	Very low	169 Å²	169	142.6 Å²	142.6	79%	0.79	78%	0.781	S	S	*	*			trans	89.1	74.2	152.7	-53.2	-114.7	141.8	0	0	117.5	S691	E689-S691 PolarHBondContact O-N 3.18Å
690	N	24.4	Very low	22.7	Very low	171 Å²	171	140.2 Å²	140.2	91%	0.914	78%	0.775	S	S	*	*				-2.1	89	128.8	-67.7	-17.8	0	0	0	115.7
691	S	22.5	Very low	22.5	Very low	117 Å²	117	141 Å²	141	82%	0.818	77%	0.773	S	S	*	*			trans	-78.1	139.5	145.2	-76.4	0	0	0	0	110	E689	E689-S691 PolarHBondContact O-N 3.18Å
692	L	21.7	Very low	22.6	Very low	160 Å²	160	138.1 Å²	138.1	84%	0.838	76%	0.762	S	S	*	*			trans	-38.9	132.4	170.1	-71.6	130.3	0	0	0	113.9	V694	L692-V694 HydrophobicContact CD2-CG2 4.39Å
693	H	22.5	Very low	22.3	Very low	175 Å²	175	142.5 Å²	142.5	81%	0.81	76%	0.764	S	S	*	*			trans	-141.5	97.6	140.8	-145.2	-27.1	0	0	0	108.7	P695	H693-P695 VanDerWaalsContact O-CD 3.3Å; H693-P695 WeakPolarHBondContact O-CD 3.37Å
694	V	24	Very low	22.6	Very low	115 Å²	115	144.1 Å²	144.1	70%	0.697	77%	0.767	S	S	*	*			trans	-70.8	118.3	164.2	179.9	0	0	0	0	106.2	L692 N696	L692-V694 HydrophobicContact CD2-CG2 4.39Å; V694-N696 PolarHBondContact O-N 2.85Å
695	P	24.2	Very low	22.6	Very low	100 Å²	100	145 Å²	145	65%	0.649	77%	0.768	S	S	*	*			trans	-77	124.9	178.6	-10.7	27.8	0	0	0	109.8	H693 L697	H693-P695 VanDerWaalsContact O-CD 3.3Å; H693-P695 WeakPolarHBondContact O-CD 3.37Å; P695-L697 PolarHBondContact O-N 3.44Å
696	N	21.3	Very low	23.1	Very low	149 Å²	149	146.7 Å²	146.7	80%	0.797	77%	0.772	S	S	*	*			trans	-53.9	114.8	156	-95.2	-28.7	0	0	0	109	V694	V694-N696 PolarHBondContact O-N 2.85Å
697	L	24.2	Very low	22.9	Very low	167 Å²	167	147.5 Å²	147.5	87%	0.874	77%	0.772	S	S	*	*			trans	-113.1	91.8	156	-111.7	86.9	0	0	0	109.3	P695	P695-L697 PolarHBondContact O-N 3.44Å
698	N	21.3	Very low	23	Very low	130 Å²	130	149.7 Å²	149.7	70%	0.695	78%	0.778	S	S	*	*			trans	-64.1	139.8	159.1	-87	-30.9	0	0	0	110.3
699	Y	22.7	Very low	22.9	Very low	207 Å²	207	147.3 Å²	147.3	81%	0.812	78%	0.775	S	S	*	*			trans	40.7	114.4	139	-81.4	-100.2	0	0	0	119.5
700	S	19.5	Very low	23.1	Very low	94 Å²	94	144.6 Å²	144.6	66%	0.657	77%	0.774	S	S	*	*				73	142.8	123	-45.1	0	0	0	0	120.1
701	I	20.4	Very low	22.8	Very low	145 Å²	145	145.3 Å²	145.3	74%	0.744	77%	0.772	S	S	*	*			trans	112.4	120.7	148.5	-62.8	168.6	0	0	0	115.8
702	N	22.1	Very low	22.8	Very low	126 Å²	126	145.1 Å²	145.1	67%	0.674	77%	0.769	S	S	*	*			trans	83.1	111.1	153.5	-70	-16.6	0	0	0	118.8
703	R	18.8	Very low	22.8	Very low	219 Å²	219	144.8 Å²	144.8	83%	0.826	77%	0.768	S	S	*	*				73.1	121.1	90.8	-74.1	-170.7	-173.4	-167.9	1.2	112
704	I	27.5	Very low	22.8	Very low	147 Å²	147	141.1 Å²	141.1	75%	0.754	76%	0.763	S	S	*	*				170.5	110.6	120.1	-81.5	152.2	0	0	0	107.3
705	D	21.4	Very low	22.7	Very low	131 Å²	131	142.4 Å²	142.4	70%	0.701	76%	0.764	S	S	*	*			trans	21.8	128.8	133.2	-43.8	-36.4	0	0	0	118.9
706	N	31.1	Very low	22.6	Very low	156 Å²	156	145 Å²	145	83%	0.834	77%	0.772	S	S	*	*				-175.8	134	109.1	-91.8	-22.5	0	0	0	113.1
707	D	20.7	Very low	22.7	Very low	142 Å²	142	141.3 Å²	141.3	76%	0.759	77%	0.77	S	S	*	*			trans	-52.7	152.4	166.1	-60.8	-56.6	0	0	0	113.9
708	L	26	Very low	22.7	Very low	168 Å²	168	142.3 Å²	142.3	88%	0.88	77%	0.77	S	S	*	*				170.4	133.2	111.5	-91.4	159.4	0	0	0	112.6
709	S	20.8	Very low	22.7	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	77%	0.772	S	S	*	*			trans	-81.9	143	163.7	51.3	0	0	0	0	112.7
710	S	27.5	Very low	22.7	Very low	112 Å²	112	143 Å²	143	78%	0.783	78%	0.778	S	S	*	*			trans	173.6	114.6	146.8	56.3	0	0	0	0	108.3
711	E	19.7	Very low	22.8	Very low	185 Å²	185	144.4 Å²	144.4	86%	0.864	78%	0.782	S	S	*	*				60.3	132.3	87	-82.7	-169.5	170.3	0	0	116.9
712	C	22.4	Very low	22.9	Very low	113 Å²	113	143.6 Å²	143.6	76%	0.764	78%	0.784	S	S	*	*			trans	94.2	105.2	159.2	-61.4	0	0	0	0	120.9
713	D	20	Very low	22.9	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	80%	0.798	S	S	*	*				47.1	135.8	112.4	-75.6	-13.1	0	0	0	123.7
714	S	22.8	Very low	23.1	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	79%	0.794	S	S	*	*			trans	106.3	110.9	141.9	-59.4	0	0	0	0	121.2
715	I	22.2	Very low	23	Very low	141 Å²	141	142.6 Å²	142.6	72%	0.723	80%	0.795	S	S	*	*				66.5	125.2	118.2	-62.6	172.9	0	0	0	121.3
716	D	22	Very low	23.2	Very low	154 Å²	154	142.1 Å²	142.1	82%	0.824	80%	0.802	S	S	*	*			trans	63.9	132	149.7	-60.8	-16.6	0	0	0	124.2
717	G	22.9	Very low	23	Very low	73 Å²	73	143.4 Å²	143.4	75%	0.753	80%	0.803	S	S	*	*				109.2	116.4	124.5	0	0	0	0	0	119.6
718	E	24.1	Very low	23.2	Very low	188 Å²	188	143 Å²	143	88%	0.879	81%	0.805	S	S	*	*			trans	80.9	107.2	143.4	-64.5	-171.6	166.2	0	0	122.2
719	S	21.9	Very low	23.2	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	79%	0.788	S	S	*	*			trans	32.8	103	131.4	60	0	0	0	0	120.3
720	R	23.3	Very low	23.3	Very low	245 Å²	245	140.6 Å²	140.6	93%	0.925	79%	0.791	S	S	*	*				-163.4	137	127.4	-131.9	169.5	177.8	161.9	-2.1	112.5
721	T	21.6	Very low	23.3	Very low	124 Å²	124	144.3 Å²	144.3	76%	0.761	79%	0.789	S	S	*	*			trans	-54.1	124.8	167.4	50.2	0	0	0	0	112.6
722	T	23	Very low	23.7	Very low	128 Å²	128	143 Å²	143	79%	0.785	79%	0.786	S	S	*	*				178.1	116.4	126.9	43.2	0	0	0	0	109.7	S724	T722-S724 PolarHBondContact O-N 2.77Å
723	R	21.6	Very low	23.9	Very low	255 Å²	255	144.7 Å²	144.7	96%	0.962	79%	0.786	S	S	*	*			trans	12	106.3	139.6	-157.5	-179.8	-166	-170.5	3.5	116.4
724	S	22.3	Very low	24	Very low	106 Å²	106	144.4 Å²	144.4	74%	0.741	78%	0.784	S	S	*	*			trans	-143.6	130.1	145.8	66.7	0	0	0	0	112.3	T722	T722-S724 PolarHBondContact O-N 2.77Å
725	S	25.2	Very low	24.1	Very low	111 Å²	111	144.9 Å²	144.9	78%	0.776	79%	0.785	S	S	*	*			trans	24	95.2	150.7	61.3	0	0	0	0	119.2
726	S	26.3	Very low	24.4	Very low	120 Å²	120	144.3 Å²	144.3	84%	0.839	79%	0.788	S	S	*	*			trans	-66.9	147.3	143.7	52	0	0	0	0	110.1
727	E	26.4	Very low	24.7	Very low	184 Å²	184	147 Å²	147	86%	0.86	79%	0.793	S	S	*	*			trans	-55.3	146.1	-165.4	-66.2	162.2	150.1	0	0	115.5	S729	E727-S729 PolarHBondContact O-N 3.1Å
728	V	24.6	Very low	25.1	Very low	132 Å²	132	151 Å²	151	80%	0.8	80%	0.797	S	S	*	*			trans	-67.1	90.3	-179.2	180	0	0	0	0	109.8
729	S	26.6	Very low	25.4	Very low	76 Å²	76	149.3 Å²	149.3	53%	0.531	79%	0.792	S	S	.	*			trans	-80.6	109.6	157.5	56	0	0	0	0	108.4	E727 Y731	E727-S729 PolarHBondContact O-N 3.1Å; S729-Y731 VanDerWaalsContact C-N 3.28Å; S729-Y731 VanDerWaalsContact CB-CE2 3.47Å; S729-Y731 PolarHBondContact O-N 2.87Å; S729-Y731 VanDerWaalsContact OG-CD2 3.27Å; S729-Y731 WeakPolarHBondContact OG-CD2 3.34Å; S729-Y731 WeakPolarHBondContact OG-CE2 3.39Å
730	N	24.3	Very low	25.5	Very low	148 Å²	148	152 Å²	152	79%	0.791	80%	0.798	S	S	*	*			trans	-64.5	85.3	170.9	-73.7	-28.4	0	0	0	109.9
731	Y	27.1	Very low	25.7	Very low	190 Å²	190	150 Å²	150	75%	0.745	80%	0.795	S	S	*	*			trans	-88.7	120.4	165.6	-73.4	-73.5	0	0	0	109.5	S729 I733	S729-Y731 VanDerWaalsContact C-N 3.28Å; S729-Y731 VanDerWaalsContact CB-CE2 3.47Å; S729-Y731 PolarHBondContact O-N 2.87Å; S729-Y731 VanDerWaalsContact OG-CD2 3.27Å; S729-Y731 WeakPolarHBondContact OG-CD2 3.34Å; S729-Y731 WeakPolarHBondContact OG-CE2 3.39Å; Y731-I733 PolarHBondContact O-N 2.97Å; Y731-I733 VanDerWaalsContact O-N 3.15Å
732	I	27.1	Very low	26.1	Very low	158 Å²	158	149.6 Å²	149.6	81%	0.81	80%	0.795	S	S	*	*			trans	-71.1	101	166.8	-62.8	170.1	0	0	0	106.4	L734	I732-L734 PolarHBondContact O-N 2.96Å
733	I	26.4	Very low	26.2	Very low	149 Å²	149	149.9 Å²	149.9	76%	0.764	79%	0.788	S	S	*	*			trans	-75.3	104.7	172.4	-61.9	173.5	0	0	0	107.2	Y731 P735	Y731-I733 PolarHBondContact O-N 2.97Å; Y731-I733 VanDerWaalsContact O-N 3.15Å; I733-P735 WeakPolarHBondContact O-CD 3.3Å
734	L	22.6	Very low	26.5	Very low	146 Å²	146	142.4 Å²	142.4	76%	0.764	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.6	120.9	164.4	-76.8	150.2	0	0	0	108.1	I732 T736	I732-L734 PolarHBondContact O-N 2.96Å; L734-T736 PolarHBondContact O-N 2.82Å
735	P	25.7	Very low	26.8	Very low	109 Å²	109	145.8 Å²	145.8	71%	0.708	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.4	129.6	174.9	-16.7	29	0	0	0	109.6	I733 F737	I733-P735 WeakPolarHBondContact O-CD 3.3Å; P735-F737 PolarHBondContact O-N 3.39Å
736	T	27.9	Very low	27.1	Very low	130 Å²	130	145.8 Å²	145.8	80%	0.798	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-65.4	121.9	173.7	43.8	0	0	0	0	109.4	L734 N738	L734-T736 PolarHBondContact O-N 2.82Å; T736-N738 VanDerWaalsContact C-N 3.26Å; T736-N738 PolarHBondContact O-N 2.98Å
737	F	28.3	Very low	27.2	Very low	209 Å²	209	148.2 Å²	148.2	92%	0.917	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	82.4	174	-81.9	-93.1	0	0	0	110.1	P735	P735-F737 PolarHBondContact O-N 3.39Å
738	N	31.7	Very low	27.7	Very low	158 Å²	158	145.9 Å²	145.9	85%	0.845	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.8	12	159	-98.5	-17.8	0	0	0	114.3	T736	T736-N738 VanDerWaalsContact C-N 3.26Å; T736-N738 PolarHBondContact O-N 2.98Å
739	I	29.9	Very low	28.5	Very low	153 Å²	153	144.5 Å²	144.5	79%	0.785	76%	0.764	S	S	*	*	S	Bend	trans	-120.9	104.8	169.1	-56.7	173.8	0	0	0	106.8
740	L	24.1	Very low	29	Very low	161 Å²	161	145.3 Å²	145.3	84%	0.843	77%	0.767	S	S	*	*			trans	147	84.1	155.8	-76.5	174.7	0	0	0	109.1	P742	L740-P742 WeakPolarHBondContact O-CD 3.34Å
741	K	27.5	Very low	29.6	Very low	202 Å²	202	143.5 Å²	143.5	88%	0.878	76%	0.757	S	S	*	*			trans	-78.2	124.2	153.7	-77.3	-179	175.8	179	0	107.7
742	P	29.1	Very low	30.8	Very low	116 Å²	116	141 Å²	141	75%	0.753	76%	0.757	S	S	*	*			trans	-104.9	114.5	160.6	8.6	12.7	0	0	0	109.3	L740 S744	L740-P742 WeakPolarHBondContact O-CD 3.34Å; P742-S744 PolarHBondContact O-N 3.48Å
743	Q	24.7	Very low	31.5	Very low	134 Å²	134	140.7 Å²	140.7	63%	0.626	75%	0.75	S	S	*	*			trans	-61.9	107.2	163.1	-69.1	-81.4	-2.6	0	0	110
744	S	28.6	Very low	32.2	Very low	98 Å²	98	136 Å²	136	69%	0.685	73%	0.726	S	S	*	*			trans	-156.4	111.2	145.3	49.5	0	0	0	0	109.4	P742	P742-S744 PolarHBondContact O-N 3.48Å
745	E	29.1	Very low	33	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	72%	0.723	S	S	*	*			trans	-58.3	133.5	169.7	-73	178.1	145.5	0	0	109.7	L747	E745-L747 PolarHBondContact O-N 2.88Å
746	P	30.3	Very low	34.3	Very low	112 Å²	112	134.5 Å²	134.5	73%	0.727	72%	0.716	S	S	*	*			trans	-69.6	122.5	177.2	27.3	-31.4	0	0	0	109.6	T748	P746-T748 PolarHBondContact O-N 2.62Å
747	L	29.4	Very low	34.7	Very low	170 Å²	170	132.8 Å²	132.8	89%	0.89	70%	0.702	S	S	*	*			trans	-60.9	106.3	165.2	-92.1	108.4	0	0	0	108.8	E745 I749	E745-L747 PolarHBondContact O-N 2.88Å; L747-I749 PolarHBondContact O-N 2.82Å
748	T	36.5	Very low	35.8	Very low	136 Å²	136	128.2 Å²	128.2	83%	0.834	69%	0.691	S	S	*	*			trans	-70.1	103.1	174.4	9	0	0	0	0	109.5	P746	P746-T748 PolarHBondContact O-N 2.62Å
749	I	42.5	Very low	36.7	Very low	103 Å²	103	124.2 Å²	124.2	53%	0.528	68%	0.676	S	S	.	*			trans	-91.8	121.6	166.4	-58.8	174.5	0	0	0	107.3	L747 L751 K753	L747-I749 PolarHBondContact O-N 2.82Å; I749-L751 PolarHBondContact O-N 3.14Å; I749-K753 HydrophobicContact CG2-CB 4.03Å
750	P	36.7	Very low	37.6	Very low	92 Å²	92	119.9 Å²	119.9	60%	0.597	66%	0.657	S	S	*	*			trans	-58.7	135.2	-179.1	-17.8	25.9	0	0	0	111.6	N752 K753	P750-N752 PolarHBondContact O-N 2.76Å; P750-K753 PolarHBondContact O-N 2.79Å
751	L	37	Very low	38.4	Very low	110 Å²	110	116 Å²	116	58%	0.576	64%	0.635	S	S	*	*	H	α-helix	trans	-48.2	-32.6	-171.9	-163.6	71.1	0	0	0	114	I749 K753 L754 M755	I749-L751 PolarHBondContact O-N 3.14Å; L751-K753 VanDerWaalsContact C-N 3.27Å; L751-K753 PolarHBondContact O-N 2.84Å; L751-L754 HydrophobicContact CD1-CD2 4.44Å; L751-L754 WeakPolarHBondContact O-CB 3.28Å; L751-L754 PolarHBondContact O-N 3.35Å; L751-L754 VanDerWaalsContact O-N 3.11Å; L751-M755 HydrophobicContact CD1-CE 4.43Å; L751-M755 HydrophobicContact CG-CE 4.32Å; L751-M755 WeakPolarHBondContact O-CG 3.43Å; L751-M755 PolarHBondContact O-N 2.91Å
752	N	51.8	Low	39.4	Very low	139 Å²	139	110.5 Å²	110.5	74%	0.743	62%	0.615	S	S	*	*	H	α-helix	trans	-64.6	-31.1	-178.3	-51.4	10.1	0	0	0	112.3	P750 S756	P750-N752 PolarHBondContact O-N 2.76Å; N752-S756 PolarHBondContact O-OG 3.26Å; N752-S756 VanDerWaalsContact O-OG 3.08Å
753	K	41	Very low	40.2	Very low	150 Å²	150	111.3 Å²	111.3	65%	0.652	61%	0.613	S	S	*	*	H	α-helix	trans	-81.3	-26.5	176.1	-118.8	176	-178.8	177.1	0	112.2	I749 P750 L751 S756	I749-K753 HydrophobicContact CG2-CB 4.03Å; P750-K753 PolarHBondContact O-N 2.79Å; L751-K753 VanDerWaalsContact C-N 3.27Å; L751-K753 PolarHBondContact O-N 2.84Å; K753-S756 PolarHBondContact O-OG 3.42Å
754	L	41.4	Very low	40.9	Very low	52 Å²	52	113.5 Å²	113.5	27%	0.272	62%	0.617	S	S	.	*	H	α-helix	trans	-72.4	-35	175.1	-159.1	82.2	0	0	0	111.5	L751 M761	L751-L754 HydrophobicContact CD1-CD2 4.44Å; L751-L754 WeakPolarHBondContact O-CB 3.28Å; L751-L754 PolarHBondContact O-N 3.35Å; L751-L754 VanDerWaalsContact O-N 3.11Å; L754-M761 HydrophobicContact CD1-SD 3.85Å; L754-M761 HydrophobicContact CD2-CE 3.66Å; L754-M761 HydrophobicContact CD2-SD 3.69Å; L754-M761 HydrophobicContact CG-CE 4.11Å; L754-M761 HydrophobicContact CG-CG 4.34Å; L754-M761 HydrophobicContact CG-SD 3.66Å
755	M	40.5	Very low	41.5	Very low	142 Å²	142	114 Å²	114	70%	0.7	61%	0.607	S	S	*	*	H	α-helix	trans	-76.7	-20.8	-179.3	-67.6	-68.8	-172.7	0	0	114	L751	L751-M755 HydrophobicContact CD1-CE 4.43Å; L751-M755 HydrophobicContact CG-CE 4.32Å; L751-M755 WeakPolarHBondContact O-CG 3.43Å; L751-M755 PolarHBondContact O-N 2.91Å
756	S	52.2	Low	41.9	Very low	81 Å²	81	107.1 Å²	107.1	57%	0.566	58%	0.583	S	S	*	*	H	α-helix	trans	-96.4	-18.1	-174.1	47.1	0	0	0	0	114.9	N752 K753	N752-S756 PolarHBondContact O-OG 3.26Å; N752-S756 VanDerWaalsContact O-OG 3.08Å; K753-S756 PolarHBondContact O-OG 3.42Å
757	N	36.1	Very low	42.2	Very low	93 Å²	93	110.2 Å²	110.2	50%	0.497	59%	0.587	S	S	.	*			trans	-125.2	93.4	176.9	-86.2	-33	0	0	0	110.7	S759 V760	N757-S759 PolarHBondContact O-N 3.49Å; N757-S759 VanDerWaalsContact O-N 3.12Å; N757-V760 HydrophobicContact CB-CG2 4.07Å; N757-V760 PolarHBondContact O-N 3.47Å; N757-V760 VanDerWaalsContact O-N 3.12Å
758	T	51.2	Low	42.4	Very low	113 Å²	113	111.3 Å²	111.3	69%	0.693	58%	0.581	S	S	*	*	H	α-helix	trans	-58.5	-23.4	177.8	52.6	0	0	0	0	113.2	V760 M761 D762	T758-V760 VanDerWaalsContact C-N 3.28Å; T758-V760 PolarHBondContact O-N 3.09Å; T758-M761 PolarHBondContact O-N 3.42Å; T758-D762 PolarHBondContact O-N 2.9Å
759	S	52	Low	42	Very low	74 Å²	74	111 Å²	111	52%	0.517	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-27.5	177.5	68.3	0	0	0	0	113.6	N757 M761 D762 D763	N757-S759 PolarHBondContact O-N 3.49Å; N757-S759 VanDerWaalsContact O-N 3.12Å; S759-M761 VanDerWaalsContact C-N 3.34Å; S759-D762 PolarHBondContact O-N 3.27Å; S759-D763 PolarHBondContact O-N 2.87Å
760	V	48.1	Very low	41.5	Very low	63 Å²	63	113.5 Å²	113.5	38%	0.382	58%	0.581	S	S	.	*	H	α-helix	trans	-73.9	-30.6	178.9	-178.6	0	0	0	0	111	N757 T758 Y764	N757-V760 HydrophobicContact CB-CG2 4.07Å; N757-V760 PolarHBondContact O-N 3.47Å; N757-V760 VanDerWaalsContact O-N 3.12Å; T758-V760 VanDerWaalsContact C-N 3.28Å; T758-V760 PolarHBondContact O-N 3.09Å; V760-Y764 PolarHBondContact O-N 3.44Å
761	M	41.2	Very low	41	Very low	79 Å²	79	114.8 Å²	114.8	39%	0.389	59%	0.587	S	S	.	*	H	α-helix	trans	-70.6	-34.3	175.7	-71.2	-67.7	-115.5	0	0	112	L754 T758 S759 F765	L754-M761 HydrophobicContact CD1-SD 3.85Å; L754-M761 HydrophobicContact CD2-CE 3.66Å; L754-M761 HydrophobicContact CD2-SD 3.69Å; L754-M761 HydrophobicContact CG-CE 4.11Å; L754-M761 HydrophobicContact CG-CG 4.34Å; L754-M761 HydrophobicContact CG-SD 3.66Å; T758-M761 PolarHBondContact O-N 3.42Å; S759-M761 VanDerWaalsContact C-N 3.34Å; M761-F765 PolarHBondContact O-N 3.1Å; M761-F765 HydrophobicContact SD-CE2 4.47Å
762	D	48.4	Very low	40.6	Very low	87 Å²	87	115.2 Å²	115.2	47%	0.465	60%	0.597	S	S	.	*	H	α-helix	trans	-69.7	-35	176.9	-87.1	-45.2	0	0	0	112.8	T758 S759 G766 K769	T758-D762 PolarHBondContact O-N 2.9Å; S759-D762 PolarHBondContact O-N 3.27Å; D762-G766 VanDerWaalsContact O-CA 3.32Å; D762-G766 WeakPolarHBondContact O-CA 3.44Å; D762-G766 PolarHBondContact O-N 2.88Å; D762-K769 IonicContact OD1-NZ 2.87Å; D762-K769 PolarHBondContact OD1-NZ 3.19Å
763	D	45	Very low	39.4	Very low	132 Å²	132	118.1 Å²	118.1	71%	0.706	60%	0.603	S	S	*	*	H	α-helix	trans	-72.4	-37.6	176.6	-81.8	-13.4	0	0	0	112.4	S759 G766	S759-D763 PolarHBondContact O-N 2.87Å; D763-G766 PolarHBondContact O-N 3.39Å
764	Y	40.5	Very low	38.5	Very low	180 Å²	180	122.4 Å²	122.4	71%	0.706	62%	0.615	S	S	*	*	H	α-helix	trans	-69.6	-35.4	-177.1	-160.9	-97.7	0	0	0	113	V760	V760-Y764 PolarHBondContact O-N 3.44Å
765	F	40.1	Very low	37.7	Very low	110 Å²	110	127.5 Å²	127.5	48%	0.482	64%	0.642	S	S	.	*	H	α-helix	trans	-101.8	2.1	178.7	-66.5	-78.7	0	0	0	113.5	M761 H767 Y768	M761-F765 PolarHBondContact O-N 3.1Å; M761-F765 HydrophobicContact SD-CE2 4.47Å; F765-H767 PolarHBondContact O-N 3.46Å; F765-Y768 PolarHBondContact O-N 2.69Å; F765-Y768 VanDerWaalsContact O-N 3.12Å
766	G	39	Very low	37.1	Very low	31 Å²	31	126.8 Å²	126.8	32%	0.32	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-60.4	-29.9	-177.9	0	0	0	0	0	114	D762 D763 Y768 K769	D762-G766 VanDerWaalsContact O-CA 3.32Å; D762-G766 WeakPolarHBondContact O-CA 3.44Å; D762-G766 PolarHBondContact O-N 2.88Å; D763-G766 PolarHBondContact O-N 3.39Å; G766-Y768 VanDerWaalsContact C-N 3.32Å; G766-Y768 PolarHBondContact O-N 3.17Å; G766-K769 PolarHBondContact O-N 3.44Å
767	H	36	Very low	35.8	Very low	177 Å²	177	127.9 Å²	127.9	82%	0.819	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-76	-17.3	179	-62.7	-54.6	0	0	0	114.2	F765	F765-H767 PolarHBondContact O-N 3.46Å
768	Y	33.4	Very low	35.2	Very low	193 Å²	193	132.2 Å²	132.2	76%	0.757	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-95	-4.3	175.7	-65.2	-75.7	0	0	0	113.1	F765 G766 I770	F765-Y768 PolarHBondContact O-N 2.69Å; F765-Y768 VanDerWaalsContact O-N 3.12Å; G766-Y768 VanDerWaalsContact C-N 3.32Å; G766-Y768 PolarHBondContact O-N 3.17Å; Y768-I770 PolarHBondContact O-N 2.91Å
769	K	28.9	Very low	33.9	Very low	129 Å²	129	136.8 Å²	136.8	56%	0.561	68%	0.683	S	S	*	*			trans	-74.7	94	167.6	-71.6	-178.8	-174.9	167.2	0	108.1	D762 G766 T771	D762-K769 IonicContact OD1-NZ 2.87Å; D762-K769 PolarHBondContact OD1-NZ 3.19Å; G766-K769 PolarHBondContact O-N 3.44Å; K769-T771 PolarHBondContact O-N 3.47Å
770	I	30.1	Very low	32.5	Very low	157 Å²	157	139.9 Å²	139.9	81%	0.805	69%	0.694	S	S	*	*			trans	-55	106.3	161.1	-65	169	0	0	0	106.2	Y768 P772	Y768-I770 PolarHBondContact O-N 2.91Å; I770-P772 WeakPolarHBondContact O-CD 3.42Å
771	T	26.8	Very low	31.4	Very low	118 Å²	118	146 Å²	146	72%	0.724	72%	0.719	S	S	*	*			trans	-57.1	122.5	166	25.2	0	0	0	0	106.8	K769 K773	K769-T771 PolarHBondContact O-N 3.47Å; T771-K773 PolarHBondContact O-N 2.97Å
772	P	28	Very low	30.5	Very low	119 Å²	119	151.4 Å²	151.4	77%	0.773	74%	0.74	S	S	*	*			trans	-63.5	104.3	177.6	24.4	-30.8	0	0	0	107.5	I770 R774	I770-P772 WeakPolarHBondContact O-CD 3.42Å; P772-R774 PolarHBondContact O-N 3.26Å
773	K	27.1	Very low	29.2	Very low	201 Å²	201	157.9 Å²	157.9	87%	0.874	76%	0.758	S	S	*	*			trans	-60.7	109.5	163.7	-87.3	-176.9	176.3	176.6	0	106.4	T771 L775	T771-K773 PolarHBondContact O-N 2.97Å; K773-L775 PolarHBondContact O-N 3.22Å
774	R	23.2	Very low	28.2	Very low	240 Å²	240	160.4 Å²	160.4	91%	0.906	77%	0.765	S	S	*	*			trans	-33.8	113.1	173.5	-72.7	175.9	171.8	-176.9	-3.6	111.6	P772	P772-R774 PolarHBondContact O-N 3.26Å
775	L	24	Very low	27.5	Very low	159 Å²	159	157.2 Å²	157.2	83%	0.832	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-78.1	136.6	145.9	-127.3	74.9	0	0	0	106.7	K773 S777	K773-L775 PolarHBondContact O-N 3.22Å; L775-S777 PolarHBondContact O-N 3.44Å; L775-S777 VanDerWaalsContact O-N 3.12Å
776	P	27.9	Very low	26.5	Very low	126 Å²	126	160.6 Å²	160.6	82%	0.818	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-59.2	120	-180	-19.1	30.6	0	0	0	110.5	L778	P776-L778 PolarHBondContact O-N 2.89Å
777	S	24.4	Very low	25.8	Very low	104 Å²	104	167.1 Å²	167.1	73%	0.727	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-71.1	121	177.9	52.9	0	0	0	0	110.9	L775	L775-S777 PolarHBondContact O-N 3.44Å; L775-S777 VanDerWaalsContact O-N 3.12Å
778	L	24	Very low	25.1	Very low	184 Å²	184	169.4 Å²	169.4	96%	0.963	81%	0.812	S	S	*	*			trans	-101.8	81	153	-89.7	150.6	0	0	0	106.7	P776	P776-L778 PolarHBondContact O-N 2.89Å
779	Y	24.4	Very low	24.6	Very low	210 Å²	210	166.3 Å²	166.3	82%	0.824	81%	0.808	S	S	*	*			trans	-95.2	140.2	168.9	-132.1	-91.4	0	0	0	109.3
780	N	23.1	Very low	24.3	Very low	139 Å²	139	166.6 Å²	166.6	74%	0.743	82%	0.821	S	S	*	*			trans	-45.2	127.9	175.8	-68.1	-57.6	0	0	0	114.4
781	E	24.4	Very low	24	Very low	192 Å²	192	167 Å²	167	90%	0.897	82%	0.819	S	S	*	*			trans	-114.3	101	140.3	-84.1	-161.2	158	0	0	109.3
782	K	21.8	Very low	24	Very low	192 Å²	192	169.8 Å²	169.8	84%	0.835	83%	0.829	S	S	*	*			trans	-77.4	137	143.7	-85.7	179.9	173.7	175.5	0	106.9
783	R	21.7	Very low	23.7	Very low	223 Å²	223	172 Å²	172	84%	0.842	83%	0.829	S	S	*	*			trans	97.3	78.8	163.8	-56.6	179.9	173.3	173	-1.8	116.9
784	H	23.9	Very low	23.5	Very low	184 Å²	184	169.1 Å²	169.1	85%	0.852	82%	0.823	S	S	*	*	S	Bend		168	99.3	103.7	-99.6	-74.1	0	0	0	109.5
785	S	24.7	Very low	23.6	Very low	114 Å²	114	164 Å²	164	80%	0.797	82%	0.818	S	S	*	*			trans	171.1	77.1	144.6	37	0	0	0	0	108.7
786	M	19.2	Very low	23.6	Very low	181 Å²	181	164.1 Å²	164.1	89%	0.892	81%	0.814	S	S	*	*			trans	-60.5	141.2	137	-103.5	167.6	74.6	0	0	106.8
787	E	24.1	Very low	23.3	Very low	167 Å²	167	166 Å²	166	78%	0.78	81%	0.811	S	S	*	*			trans	92.8	120.8	174.2	-59	-178.2	162.5	0	0	117.4
788	R	22.1	Very low	23.4	Very low	225 Å²	225	168.4 Å²	168.4	85%	0.849	82%	0.816	S	S	*	*			trans	83	115.4	175.1	-76.5	-174.2	-89.4	-157	-8.7	115.2
789	L	23.9	Very low	23.3	Very low	128 Å²	128	166.7 Å²	166.7	67%	0.67	81%	0.806	S	S	*	*			cis	-153.1	117.7	15	-87.6	143.2	0	0	0	108.5	E791	L789-E791 VanDerWaalsContact C-N 3.3Å; L789-E791 PolarHBondContact O-N 2.87Å; L789-E791 VanDerWaalsContact O-N 3.16Å
790	T	22.6	Very low	23.4	Very low	136 Å²	136	162.1 Å²	162.1	83%	0.834	80%	0.8	S	S	*	*			trans	-53.7	101.6	133.9	42.5	0	0	0	0	107.9
791	E	23.8	Very low	23.4	Very low	164 Å²	164	161.5 Å²	161.5	77%	0.766	80%	0.801	S	S	*	*			trans	166.9	101.1	153.6	-97	165.8	-159.3	0	0	107	L789	L789-E791 VanDerWaalsContact C-N 3.3Å; L789-E791 PolarHBondContact O-N 2.87Å; L789-E791 VanDerWaalsContact O-N 3.16Å
792	L	25	Very low	23.3	Very low	177 Å²	177	159.9 Å²	159.9	93%	0.927	80%	0.796	S	S	*	*				-169.3	101.1	126.4	-94.4	169.5	0	0	0	108
793	H	23.2	Very low	23.7	Very low	167 Å²	167	155.8 Å²	155.8	77%	0.773	79%	0.789	S	S	*	*			trans	-51.7	146.3	162.2	-112.7	55.4	0	0	0	111.4
794	N	22.6	Very low	23.8	Very low	140 Å²	140	153.1 Å²	153.1	75%	0.749	79%	0.792	S	S	*	*			trans	60.4	125	151.2	-64.5	-18.9	0	0	0	118.2
795	V	25.9	Very low	23.9	Very low	132 Å²	132	156.4 Å²	156.4	80%	0.8	80%	0.796	S	S	*	*				-178.9	117.1	112.5	156.4	0	0	0	0	109.7
796	H	22.9	Very low	23.8	Very low	162 Å²	162	156.1 Å²	156.1	75%	0.75	80%	0.795	S	S	*	*			trans	53	119.5	144.7	-77.7	50.2	0	0	0	122.2
797	E	21.4	Very low	24.1	Very low	164 Å²	164	155.7 Å²	155.7	77%	0.766	79%	0.793	S	S	*	*				4.6	120.3	129.9	-64.8	-176.9	159.9	0	0	116.7
798	N	26.1	Very low	24.3	Very low	155 Å²	155	153.6 Å²	153.6	83%	0.829	79%	0.787	S	S	*	*			trans	-146.8	91.2	148.8	-92.7	-35.1	0	0	0	108.6	V800	N798-V800 PolarHBondContact O-N 3.03Å
799	I	22.8	Very low	24.3	Very low	148 Å²	148	154.5 Å²	154.5	76%	0.759	79%	0.79	S	S	*	*			trans	-74.9	107.4	161.9	-67.4	170.2	0	0	0	106.4	T801	I799-T801 WeakPolarHBondContact CG2-OG1 3.37Å
800	V	26.3	Very low	24.5	Very low	115 Å²	115	158.5 Å²	158.5	70%	0.697	80%	0.798	S	S	*	*			trans	-105.7	99.7	168.1	177.9	0	0	0	0	107.3	N798 M802	N798-V800 PolarHBondContact O-N 3.03Å; V800-M802 HydrophobicContact CG1-CG 4.36Å
801	T	23.2	Very low	24.8	Very low	125 Å²	125	159.5 Å²	159.5	77%	0.767	80%	0.798	S	S	*	*			trans	-102.8	117.8	168.7	-35.1	0	0	0	0	107.2	I799	I799-T801 WeakPolarHBondContact CG2-OG1 3.37Å
802	M	22.4	Very low	24.9	Very low	158 Å²	158	158.7 Å²	158.7	78%	0.778	80%	0.799	S	S	*	*			trans	-93.4	162.6	176.2	-84.8	-73	180	0	0	110.6	V800	V800-M802 HydrophobicContact CG1-CG 4.36Å
803	P	29.9	Very low	25.2	Very low	107 Å²	107	156.7 Å²	156.7	70%	0.695	79%	0.789	S	S	*	*				-104.8	146.4	-129.3	36.9	-34.2	0	0	0	114.9
804	N	24.5	Very low	25.5	Very low	167 Å²	167	157.3 Å²	157.3	89%	0.893	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-84.4	126.6	157.1	-85.8	-30.9	0	0	0	109.3
805	R	24.9	Very low	25.7	Very low	252 Å²	252	156.9 Å²	156.9	95%	0.951	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.6	125.6	169.5	-91.4	-178.9	172.5	178.8	-3.5	110.2
806	S	23.7	Very low	25.7	Very low	109 Å²	109	160 Å²	160	76%	0.762	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-101.4	143.5	163.9	49.9	0	0	0	0	110.2
807	M	24.9	Very low	26	Very low	172 Å²	172	160.8 Å²	160.8	85%	0.847	79%	0.79	S	S	*	*			trans	-152.3	149.6	154	-82.7	-162.7	99.3	0	0	106.2
808	D	27.8	Very low	26.2	Very low	123 Å²	123	162.4 Å²	162.4	66%	0.658	80%	0.795	S	S	*	*			cis	-159.5	140.4	-30	-103.1	-25.3	0	0	0	104.8
809	R	21.8	Very low	26.7	Very low	244 Å²	244	160.4 Å²	160.4	92%	0.921	79%	0.79	S	S	*	*			trans	-95.5	148.8	163	-77.4	-174	-173.7	-179.9	2.7	107.7
810	Y	28.1	Very low	26.8	Very low	212 Å²	212	160.9 Å²	160.9	83%	0.831	79%	0.793	S	S	*	*			trans	-100.4	153.7	163.4	-100.1	-89.3	0	0	0	111.2
811	D	29.5	Very low	26.9	Very low	156 Å²	156	161.7 Å²	161.7	83%	0.834	79%	0.793	S	S	*	*			trans	96.3	98.5	162.2	-57.6	-23.1	0	0	0	117.6
812	D	26.8	Very low	26.9	Very low	148 Å²	148	166.1 Å²	166.1	79%	0.791	80%	0.796	S	S	*	*			trans	-98.7	172.2	179.6	-134	-20.2	0	0	0	110.1
813	D	29.9	Very low	27	Very low	134 Å²	134	165.1 Å²	165.1	72%	0.717	79%	0.794	S	S	*	*			trans	82.5	92.6	164.6	-59.9	-27.2	0	0	0	118.4
814	H	31.2	Very low	26.7	Very low	181 Å²	181	166 Å²	166	84%	0.838	79%	0.791	S	S	*	*				-165.4	108.2	120.4	-92.4	-55.9	0	0	0	112.2
815	D	26.5	Very low	26.7	Very low	130 Å²	130	165.6 Å²	165.6	70%	0.695	78%	0.781	S	S	*	*			trans	41.8	118.2	137.7	-71	-30.9	0	0	0	123.9
816	Y	24.7	Very low	26.5	Very low	199 Å²	199	160.8 Å²	160.8	78%	0.78	77%	0.772	S	S	*	*				71.2	131.9	128.1	-86.8	-88	0	0	0	124.3
817	F	30.8	Very low	26.3	Very low	178 Å²	178	159.5 Å²	159.5	78%	0.781	77%	0.768	S	S	*	*			trans	92.9	98.4	156.2	-75.4	-74.8	0	0	0	121.5
818	K	25.1	Very low	26.3	Very low	198 Å²	198	157.5 Å²	157.5	86%	0.861	77%	0.766	S	S	*	*			trans	28.7	150.1	135.2	-83.2	-175.3	176.6	178.9	0	123.3
819	P	35.4	Very low	26	Very low	113 Å²	113	160.9 Å²	160.9	73%	0.734	78%	0.775	S	S	*	*			trans	-102	158.5	-159.4	39.9	-31.6	0	0	0	114.4
820	L	26.3	Very low	26.3	Very low	158 Å²	158	155.1 Å²	155.1	83%	0.827	77%	0.769	S	S	*	*			trans	-163	133.8	155.3	-101	151.8	0	0	0	112
821	D	27.5	Very low	26	Very low	131 Å²	131	156.1 Å²	156.1	70%	0.701	77%	0.771	S	S	*	*			trans	59	115.2	150.4	-70.4	-25.8	0	0	0	124
822	R	22.6	Very low	25.6	Very low	219 Å²	219	153.9 Å²	153.9	83%	0.826	77%	0.768	S	S	*	*				29.2	145.7	114.9	-72	-168.7	-174.6	-164	3.1	119.6
823	D	25.6	Very low	25.8	Very low	137 Å²	137	152.6 Å²	152.6	73%	0.733	77%	0.771	S	S	*	*			trans	84.3	141.8	164.6	-61.5	-13.4	0	0	0	114.3
824	M	23.1	Very low	25.4	Very low	126 Å²	126	154.7 Å²	154.7	62%	0.621	78%	0.776	S	S	*	*			cis	174	144.3	-7	173.1	160.2	53.1	0	0	103.2
825	K	24.4	Very low	25.1	Very low	158 Å²	158	153.1 Å²	153.1	69%	0.687	77%	0.774	S	S	*	*			trans	71.8	113.3	155.2	-73.8	168.8	-168.5	165.9	0	118.8
826	I	20.3	Very low	25.1	Very low	150 Å²	150	152.7 Å²	152.7	77%	0.769	78%	0.776	S	S	*	*				85	116.8	92.7	-69.9	173	0	0	0	112.9
827	A	20.9	Very low	25	Very low	83 Å²	83	151.8 Å²	151.8	69%	0.686	78%	0.779	S	S	*	*			trans	16.2	140.9	144	0	0	0	0	0	119.8
828	T	22.9	Very low	24.8	Very low	129 Å²	129	148.8 Å²	148.8	79%	0.791	78%	0.78	S	S	*	*				-179.2	143.1	111.1	-63.4	0	0	0	0	111.6
829	F	23.5	Very low	24.9	Very low	194 Å²	194	145.1 Å²	145.1	85%	0.851	78%	0.779	S	S	*	*			trans	-31	156.6	176	-69.3	-93.3	0	0	0	121.6
830	P	27.2	Very low	24.6	Very low	123 Å²	123	149 Å²	149	80%	0.799	79%	0.785	S	S	*	*				-147.5	-173.8	113.2	37.6	-21.7	0	0	0	112.3
831	R	22	Very low	24.6	Very low	233 Å²	233	152.5 Å²	152.5	88%	0.879	79%	0.787	S	S	*	*			cis	-167.9	143.5	-45.7	-170.5	179.1	-172.9	-171.1	3.9	104.1
832	S	20.9	Very low	24.7	Very low	109 Å²	109	152.5 Å²	152.5	76%	0.762	79%	0.786	S	S	*	*			trans	-17.6	138.5	171.9	55.8	0	0	0	0	120.9
833	S	30.5	Very low	24.9	Very low	121 Å²	121	148.3 Å²	148.3	85%	0.846	78%	0.784	S	S	*	*			trans	-152.1	130.9	144.7	61.9	0	0	0	0	111.8
834	E	21.2	Very low	25	Very low	178 Å²	178	151.9 Å²	151.9	83%	0.832	79%	0.787	S	S	*	*			trans	-74.1	142.7	172.3	-63.4	169.3	143	0	0	111.8
835	N	25.5	Very low	25.1	Very low	148 Å²	148	157.3 Å²	157.3	79%	0.791	80%	0.8	S	S	*	*				160	133.9	128.8	-91.7	-37.6	0	0	0	114.9
836	V	27.4	Very low	25.3	Very low	122 Å²	122	160.7 Å²	160.7	74%	0.739	81%	0.809	S	S	*	*			trans	66	101.8	145.1	-172.7	0	0	0	0	119.9
837	E	22.2	Very low	25.6	Very low	179 Å²	179	160.1 Å²	160.1	84%	0.836	81%	0.813	S	S	*	*				42.9	103.6	124	-154.2	145.5	-158.9	0	0	120.1
838	S	27.1	Very low	26	Very low	116 Å²	116	163.5 Å²	163.5	81%	0.811	82%	0.818	S	S	*	*				-166.1	117.5	128.1	50.2	0	0	0	0	111.5	K840	S838-K840 PolarHBondContact O-N 3.49Å
839	S	25.8	Very low	26.2	Very low	120 Å²	120	162.4 Å²	162.4	84%	0.839	81%	0.814	S	S	*	*			trans	-73.3	95.7	176.6	-62.3	0	0	0	0	111.5
840	K	29.7	Very low	26.5	Very low	196 Å²	196	156.5 Å²	156.5	85%	0.852	81%	0.807	S	S	*	*			trans	-144.5	73.9	157.2	-73.1	-170.2	-178.2	173.9	0	110.1	S838 I842	S838-K840 PolarHBondContact O-N 3.49Å; K840-I842 PolarHBondContact O-N 2.85Å
841	R	25.8	Very low	26.7	Very low	231 Å²	231	160.6 Å²	160.6	87%	0.872	81%	0.813	S	S	*	*			trans	-79.8	92	175.2	-160.5	175.6	-165.6	174	5.5	109.9	V843	R841-V843 PolarHBondContact O-N 3.24Å; R841-V843 VanDerWaalsContact O-N 3.12Å
842	I	29.2	Very low	27.1	Very low	131 Å²	131	156.7 Å²	156.7	67%	0.672	81%	0.809	S	S	*	*			trans	-51.1	110.1	153.6	-67.4	162.4	0	0	0	107	K840 R844	K840-I842 PolarHBondContact O-N 2.85Å; I842-R844 VanDerWaalsContact C-N 3.31Å; I842-R844 HydrophobicContact CG2-CG 4.16Å; I842-R844 PolarHBondContact O-N 3.04Å
843	V	28.6	Very low	27.6	Very low	130 Å²	130	157 Å²	157	79%	0.788	81%	0.806	S	S	*	*			trans	-74.5	91.3	171.8	178.9	0	0	0	0	106.9	R841	R841-V843 PolarHBondContact O-N 3.24Å; R841-V843 VanDerWaalsContact O-N 3.12Å
844	R	26.1	Very low	27.7	Very low	213 Å²	213	160.2 Å²	160.2	80%	0.804	81%	0.808	S	S	*	*			trans	-65.5	132.6	167.5	-81.5	-173.5	171.5	108.9	-2.9	109.3	I842 R846	I842-R844 VanDerWaalsContact C-N 3.31Å; I842-R844 HydrophobicContact CG2-CG 4.16Å; I842-R844 PolarHBondContact O-N 3.04Å; R844-R846 PolarHBondContact O-N 2.91Å
845	R	25.3	Very low	28.5	Very low	239 Å²	239	157.1 Å²	157.1	90%	0.902	80%	0.803	S	S	*	*			trans	-45.7	127.7	173.5	-67.1	176.4	171.3	-160.4	-3.7	110.6	T847	R845-T847 PolarHBondContact O-N 3.14Å
846	R	29.3	Very low	28.8	Very low	230 Å²	230	156.3 Å²	156.3	87%	0.868	81%	0.806	S	S	*	*			trans	-86.2	96.6	167.9	-61.6	176.9	179.1	153.3	-1.7	107.1	R844 L848	R844-R846 PolarHBondContact O-N 2.91Å; R846-L848 PolarHBondContact O-N 3.02Å
847	T	26.7	Very low	28.9	Very low	138 Å²	138	158.1 Å²	158.1	85%	0.847	81%	0.811	S	S	*	*			trans	-73.3	103.1	159.1	42.1	0	0	0	0	107.3	R845	R845-T847 PolarHBondContact O-N 3.14Å
848	L	28.9	Very low	29.3	Very low	154 Å²	154	155.5 Å²	155.5	81%	0.806	80%	0.802	S	S	*	*			trans	-88.5	152.4	164.9	-86.9	162.5	0	0	0	109.1	R846	R846-L848 PolarHBondContact O-N 3.02Å
849	P	28.3	Very low	29.5	Very low	106 Å²	106	156.8 Å²	156.8	69%	0.688	80%	0.799	S	S	*	*			trans	-80.8	148	-149.7	-6	24.2	0	0	0	112.8	F851	P849-F851 PolarHBondContact O-N 3.37Å
850	G	29.4	Very low	29.6	Very low	70 Å²	70	154.9 Å²	154.9	72%	0.722	79%	0.786	S	S	*	*			trans	-61.9	114.9	170.1	0	0	0	0	0	111.6	L852	G850-L852 VanDerWaalsContact C-N 3.33Å; G850-L852 PolarHBondContact O-N 3.14Å
851	F	31.7	Very low	29.8	Very low	208 Å²	208	153.9 Å²	153.9	91%	0.912	78%	0.781	S	S	*	*			trans	-83.4	92.1	145.3	-80	-82.7	0	0	0	106.8	P849 T853	P849-F851 PolarHBondContact O-N 3.37Å; F851-T853 PolarHBondContact O-N 3.02Å
852	L	28.9	Very low	29.9	Very low	151 Å²	151	153.1 Å²	153.1	79%	0.791	78%	0.78	S	S	*	*			trans	-56.7	125.9	168	-83.1	156	0	0	0	110.1	G850	G850-L852 VanDerWaalsContact C-N 3.33Å; G850-L852 PolarHBondContact O-N 3.14Å
853	T	31.8	Very low	29.9	Very low	116 Å²	116	151 Å²	151	71%	0.712	78%	0.777	S	S	*	*			trans	35.8	103.4	138.1	61.2	0	0	0	0	116.9	F851	F851-T853 PolarHBondContact O-N 3.02Å
854	Q	33.1	Very low	29.9	Very low	189 Å²	189	152.1 Å²	152.1	88%	0.883	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.7	142.2	151.9	-73.7	-179.7	-15	0	0	109.4
855	P	37	Very low	29.7	Very low	113 Å²	113	150.3 Å²	150.3	73%	0.734	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.7	155.1	-176.4	28.8	-33.8	0	0	0	112
856	P	32.8	Very low	29.6	Very low	130 Å²	130	145 Å²	145	84%	0.844	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.2	138.3	-175.6	23.7	-32.2	0	0	0	112.2	D858	P856-D858 PolarHBondContact O-N 3.48Å
857	L	30.2	Very low	29.5	Very low	161 Å²	161	141 Å²	141	84%	0.843	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-56.5	118.1	176.4	-75.2	154.9	0	0	0	110.5	L859	L857-L859 PolarHBondContact O-N 3.44Å
858	D	29.5	Very low	29.2	Very low	123 Å²	123	142.3 Å²	142.3	66%	0.658	78%	0.781	S	S	*	*			trans	-70.1	91.2	171.8	-168.9	-0.3	0	0	0	109.2	P856 S860	P856-D858 PolarHBondContact O-N 3.48Å; D858-S860 PolarHBondContact O-N 3.25Å; D858-S860 VanDerWaalsContact OD1-CB 3.32Å; D858-S860 WeakPolarHBondContact OD1-CB 3.36Å; D858-S860 PolarHBondContact OD1-N 3.39Å; D858-S860 PolarHBondContact OD1-OG 3.03Å; D858-S860 PolarHBondContact OD2-OG 3.03Å
859	L	30.5	Very low	28.9	Very low	144 Å²	144	143.8 Å²	143.8	75%	0.754	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-70	9.5	179.5	-80.8	150.3	0	0	0	113.2	L857 K861	L857-L859 PolarHBondContact O-N 3.44Å; L859-K861 PolarHBondContact O-N 3.22Å
860	S	29.8	Very low	28.7	Very low	79 Å²	79	146.9 Å²	146.9	55%	0.552	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-75.9	-2.6	174.4	66.1	0	0	0	0	114.8	D858	D858-S860 PolarHBondContact O-N 3.25Å; D858-S860 VanDerWaalsContact OD1-CB 3.32Å; D858-S860 WeakPolarHBondContact OD1-CB 3.36Å; D858-S860 PolarHBondContact OD1-N 3.39Å; D858-S860 PolarHBondContact OD1-OG 3.03Å; D858-S860 PolarHBondContact OD2-OG 3.03Å
861	K	33.8	Very low	28.5	Very low	175 Å²	175	150.2 Å²	150.2	76%	0.761	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-98	0.9	178.4	-78.7	-176.3	-179.9	176.6	0	116.1	L859	L859-K861 PolarHBondContact O-N 3.22Å
862	Y	28	Very low	28.1	Very low	215 Å²	215	143.5 Å²	143.5	84%	0.843	78%	0.779	S	S	*	*	S	Bend	trans	-132.7	58.5	176.9	-67.1	-79.8	0	0	0	112
863	S	27.4	Very low	27.9	Very low	86 Å²	86	144.6 Å²	144.6	60%	0.601	78%	0.784	S	S	*	*			trans	-149.1	137.4	156.7	53.8	0	0	0	0	109.8
864	N	28.6	Very low	27.3	Very low	154 Å²	154	147 Å²	147	82%	0.824	79%	0.789	S	S	*	*			trans	97.6	58	170.7	-46.8	-19.1	0	0	0	117	T866	N864-T866 PolarHBondContact O-N 3.4Å
865	L	23.1	Very low	27.6	Very low	176 Å²	176	143.3 Å²	143.3	92%	0.921	78%	0.781	S	S	*	*			trans	-77.5	92.3	139	-91.1	153.8	0	0	0	108
866	T	23.9	Very low	27	Very low	126 Å²	126	142.9 Å²	142.9	77%	0.773	78%	0.781	S	S	*	*			trans	167.9	102.7	144.3	39.7	0	0	0	0	109.5	N864	N864-T866 PolarHBondContact O-N 3.4Å
867	T	26	Very low	26.4	Very low	147 Å²	147	144 Å²	144	90%	0.902	78%	0.78	S	S	*	*			trans	157.1	90.4	133.6	41.7	0	0	0	0	108
868	L	21.6	Very low	26.3	Very low	166 Å²	166	144.3 Å²	144.3	87%	0.869	78%	0.783	S	S	*	*			trans	-81.3	146.7	165	-89.4	164.9	0	0	0	108.8
869	Q	22.7	Very low	25.9	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	79%	0.788	S	S	*	*			trans	83.7	98.8	165.3	-61.5	176.8	-14	0	0	116.6
870	E	23.9	Very low	25.6	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	79%	0.791	S	S	*	*				-157.2	125.1	110.7	-105.5	-167.7	142.2	0	0	111.6
871	N	23.7	Very low	25.2	Very low	141 Å²	141	147.5 Å²	147.5	75%	0.754	80%	0.798	S	S	*	*			trans	63.5	110.7	138.9	-55.7	-23.7	0	0	0	120.2
872	G	23.2	Very low	24.8	Very low	66 Å²	66	145 Å²	145	68%	0.68	80%	0.798	S	S	*	*				129.6	124.8	110.4	0	0	0	0	0	117.2
873	I	25.9	Very low	24.4	Very low	174 Å²	174	142.2 Å²	142.2	89%	0.892	79%	0.792	S	S	*	*			trans	94.2	86.8	144.1	-50.8	170.9	0	0	0	116.3
874	M	19	Very low	24.1	Very low	167 Å²	167	146.7 Å²	146.7	82%	0.823	80%	0.798	S	S	*	*			trans	-41.9	172.1	137.2	-74	-77.6	153.5	0	0	113.7
875	P	39.6	Very low	24.1	Very low	111 Å²	111	145.6 Å²	145.6	72%	0.721	79%	0.791	S	S	*	*			cis	-140.8	-166.3	-5.5	26.2	-0	0	0	0	114.2
876	S	24.7	Very low	24.1	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	78%	0.782	S	S	*	*			trans	100	97.2	152.1	71.4	0	0	0	0	115.3
877	N	20.3	Very low	24.1	Very low	153 Å²	153	143.2 Å²	143.2	82%	0.818	78%	0.778	S	S	*	*				52.1	108.1	83.3	-77.4	-2	0	0	0	113.1
878	N	27.2	Very low	24.2	Very low	168 Å²	168	142.1 Å²	142.1	90%	0.898	78%	0.776	S	S	*	*			trans	-160.5	112.9	131.1	-95.2	-17	0	0	0	110.6
879	T	21.3	Very low	24.2	Very low	126 Å²	126	141.3 Å²	141.3	77%	0.773	77%	0.773	S	S	*	*			trans	-82.9	135	151.6	42.7	0	0	0	0	108.9
880	L	24.5	Very low	24.3	Very low	153 Å²	153	144.5 Å²	144.5	80%	0.801	78%	0.777	S	S	*	*			trans	174.3	110.7	147.6	-112.5	107.2	0	0	0	104.9
881	D	21.6	Very low	24.3	Very low	133 Å²	133	143 Å²	143	71%	0.711	78%	0.775	S	S	*	*				81	145.7	86.3	-81.3	-20.5	0	0	0	113.6
882	T	24.6	Very low	24.6	Very low	124 Å²	124	141.1 Å²	141.1	76%	0.761	77%	0.77	S	S	*	*			trans	70.2	147.1	168.1	65.4	0	0	0	0	117.3
883	E	20.2	Very low	24.6	Very low	155 Å²	155	146 Å²	146	72%	0.724	78%	0.775	S	S	*	*			cis	-173.5	154.4	-9.2	-109.3	176.6	150.2	0	0	105.4
884	Y	21.5	Very low	24.7	Very low	181 Å²	181	145.1 Å²	145.1	71%	0.71	77%	0.772	S	S	*	*			trans	49.2	118.9	147.6	-86.5	-96.4	0	0	0	122.2
885	N	28.1	Very low	24.8	Very low	130 Å²	130	144.8 Å²	144.8	70%	0.695	77%	0.773	S	S	*	*				-175.4	122	103.7	-93.5	-37.2	0	0	0	109.5
886	Q	23.3	Very low	24.2	Very low	155 Å²	155	145.2 Å²	145.2	72%	0.724	78%	0.776	S	S	*	*				51.5	135.9	99.1	-64.6	-174.2	14.4	0	0	113.2
887	S	23.2	Very low	24	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	77%	0.774	S	S	*	*			cis	173.2	137.9	-3.8	46.8	0	0	0	0	103.6
888	S	27.7	Very low	24.1	Very low	124 Å²	124	143 Å²	143	87%	0.867	77%	0.768	S	S	*	*			trans	175.9	127.6	138.6	45.5	0	0	0	0	110.3
889	N	21.7	Very low	24.1	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	76%	0.763	S	S	*	*			trans	-133.3	109.1	-166.6	-165.9	17.8	0	0	0	104.4
890	W	24.6	Very low	24.8	Very low	251 Å²	251	141 Å²	141	95%	0.951	76%	0.757	S	S	*	*			trans	-133.7	101.2	173.4	-89.6	61.2	0	0	0	109.9
891	N	23.6	Very low	24.9	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	76%	0.763	S	S	*	*			trans	-57.6	171.2	144.8	-94.9	-23.2	0	0	0	110.2
892	P	31.5	Very low	24.9	Very low	100 Å²	100	143.6 Å²	143.6	65%	0.649	76%	0.764	S	S	*	*			cis	-148.5	168	29.9	39	-16.8	0	0	0	118.2
893	Q	22.3	Very low	24.7	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	76%	0.757	S	S	*	*			trans	34.6	121.9	137.1	-63.6	173.7	-44.9	0	0	120.3
894	N	27.8	Very low	24.8	Very low	156 Å²	156	141 Å²	141	83%	0.834	76%	0.757	S	S	*	*				-168.7	109.3	115.2	-93.3	-24.8	0	0	0	111.6
895	N	21.5	Very low	25	Very low	159 Å²	159	140.4 Å²	140.4	85%	0.85	76%	0.76	S	S	*	*			trans	-82.4	143.5	153.4	-105.7	-13.1	0	0	0	107.9
896	P	26.1	Very low	24.9	Very low	120 Å²	120	142.8 Å²	142.8	78%	0.779	77%	0.767	S	S	*	*			trans	-124.9	112.2	130.1	31.2	-19.6	0	0	0	109.9
897	S	21.4	Very low	24.9	Very low	97 Å²	97	141.1 Å²	141.1	68%	0.678	77%	0.767	S	S	*	*			trans	-45.7	148.6	139.9	46.9	0	0	0	0	111.2
898	T	23.4	Very low	25	Very low	116 Å²	116	142.7 Å²	142.7	71%	0.712	77%	0.773	S	S	*	*				168.9	99.6	127.4	-69	0	0	0	0	112.7
899	I	25.2	Very low	24.8	Very low	154 Å²	154	143.4 Å²	143.4	79%	0.79	77%	0.767	S	S	*	*			trans	61.7	170.1	132.4	-13.6	165.1	0	0	0	120
900	P	36.9	Very low	24.7	Very low	98 Å²	98	141 Å²	141	64%	0.636	76%	0.762	S	S	*	*				-120.5	172.5	-119.8	38.1	-16.6	0	0	0	112.7
901	H	25.9	Very low	24.7	Very low	201 Å²	201	136.7 Å²	136.7	93%	0.931	76%	0.758	S	S	*	*			trans	-129.2	123.7	153.7	-124.4	-81.9	0	0	0	111.2
902	L	21.8	Very low	24.5	Very low	139 Å²	139	134.2 Å²	134.2	73%	0.728	75%	0.751	S	S	*	*			trans	-79.4	150.6	-175.7	-142.5	84.3	0	0	0	110.2
903	S	21.2	Very low	24.1	Very low	88 Å²	88	136.7 Å²	136.7	62%	0.615	76%	0.759	S	S	*	*			trans	82.2	130.3	133.1	70.2	0	0	0	0	121.8
904	N	21.6	Very low	24.2	Very low	135 Å²	135	138.9 Å²	138.9	72%	0.722	76%	0.762	S	S	*	*			trans	80.3	99.8	140.9	-63.3	-10.2	0	0	0	119.1
905	H	26.8	Very low	24	Very low	169 Å²	169	139.3 Å²	139.3	78%	0.782	76%	0.764	S	S	*	*				-174.3	142.7	93	-104	-73.3	0	0	0	113
906	Q	26	Very low	24.2	Very low	180 Å²	180	140.7 Å²	140.7	84%	0.841	77%	0.765	S	S	*	*			trans	82.5	97.3	152.1	-71.3	176.4	-23.2	0	0	120.5
907	V	22.7	Very low	24.4	Very low	120 Å²	120	140 Å²	140	73%	0.727	76%	0.764	S	S	*	*			trans	-52.8	131.6	143.6	173.5	0	0	0	0	110.9
908	T	24.9	Very low	24.9	Very low	130 Å²	130	140.9 Å²	140.9	80%	0.798	77%	0.769	S	S	*	*			trans	-163.4	102.9	132.5	46.5	0	0	0	0	109.6
909	D	23.8	Very low	25.4	Very low	139 Å²	139	142.3 Å²	142.3	74%	0.743	77%	0.773	S	S	*	*			trans	22.6	130	134.1	-62.2	-26.8	0	0	0	121.1
910	S	20.4	Very low	25.8	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	78%	0.779	S	S	*	*			trans	4.9	119.3	135.6	52.6	0	0	0	0	117.6
911	N	23.5	Very low	25.9	Very low	159 Å²	159	142.7 Å²	142.7	85%	0.85	78%	0.775	S	S	*	*				-155.7	135.4	128.1	-107.9	-17.9	0	0	0	112.6
912	S	20.9	Very low	26.6	Very low	88 Å²	88	136.9 Å²	136.9	62%	0.615	76%	0.757	S	S	*	*			trans	-53	140.9	163.6	48.4	0	0	0	0	113.3
913	N	22.9	Very low	28.6	Very low	152 Å²	152	133.3 Å²	133.3	81%	0.813	74%	0.74	S	S	*	*			trans	-171	102.1	137.9	-88.3	-20.4	0	0	0	105.8
914	Y	23.2	Very low	30.6	Very low	216 Å²	216	133.9 Å²	133.9	85%	0.847	74%	0.736	S	S	*	*				39.1	95.2	96.9	-90.8	-80.1	0	0	0	113.4
915	D	23.1	Very low	33.2	Very low	164 Å²	164	133.2 Å²	133.2	88%	0.877	72%	0.724	S	S	*	*				-165.2	76.8	125.2	-98.6	-18.9	0	0	0	107.5
916	Q	27.4	Very low	35.3	Very low	188 Å²	188	131.1 Å²	131.1	88%	0.879	71%	0.71	S	S	*	*			trans	-95.7	109.8	160.1	-84.9	-175.6	-15.4	0	0	107.3	S918	Q916-S918 PolarHBondContact O-N 3.48Å
917	S	29.4	Very low	37.3	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	70%	0.7	S	S	*	*			trans	-34.6	125.1	168.3	50.3	0	0	0	0	112.7	D919	S917-D919 PolarHBondContact O-N 2.89Å
918	S	31.9	Very low	38.8	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	68%	0.681	S	S	*	*			trans	-50.1	123.8	173.8	51.5	0	0	0	0	112.7	Q916	Q916-S918 PolarHBondContact O-N 3.48Å
919	D	34.1	Very low	40	Very low	147 Å²	147	125.9 Å²	125.9	79%	0.786	68%	0.682	S	S	*	*			trans	-56.5	136.4	169.4	-73.9	-44	0	0	0	112	S917 T921	S917-D919 PolarHBondContact O-N 2.89Å; D919-T921 PolarHBondContact O-N 2.99Å
920	N	33.5	Very low	41.7	Very low	171 Å²	171	123.1 Å²	123.1	91%	0.914	69%	0.687	S	S	*	*			trans	-60.6	87.2	175.6	-79.9	-32.2	0	0	0	111.8
921	T	38.3	Very low	43.3	Very low	89 Å²	89	123.6 Å²	123.6	55%	0.546	68%	0.68	S	S	.	*			trans	-89.9	108.1	167.1	61.5	0	0	0	0	109.5	D919 V923	D919-T921 PolarHBondContact O-N 2.99Å; T921-V923 PolarHBondContact O-N 3.07Å
922	S	41.8	Very low	45.1	Very low	79 Å²	79	125.3 Å²	125.3	55%	0.552	68%	0.675	S	S	*	*			trans	-66.2	128.7	174.5	50.8	0	0	0	0	110.6	A937	S922-A937 PolarHBondContact O-N 3.27Å
923	V	63.7	Low	47.2	Very low	64 Å²	64	125.4 Å²	125.4	39%	0.388	66%	0.664	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	128.9	176.9	176.7	0	0	0	0	108.3	T921 Y925 R934	T921-V923 PolarHBondContact O-N 3.07Å; V923-Y925 HydrophobicContact CG1-CE2 3.99Å; V923-R934 HydrophobicContact CG1-CG 3.51Å
924	I	62.3	Low	49.6	Very low	100 Å²	100	126.1 Å²	126.1	51%	0.513	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.2	142.6	177.5	-56.2	176.2	0	0	0	109.1	A935 A937	I924-A935 PolarHBondContact N-O 2.9Å; I924-A935 PolarHBondContact O-N 2.93Å; I924-A937 HydrophobicContact CD1-CB 4.08Å
925	Y	77.1	Confident	51.5	Low	120 Å²	120	117.3 Å²	117.3	47%	0.471	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.3	136	177.3	-65.1	-89.9	0	0	0	109.9	V923 K933 R934	V923-Y925 HydrophobicContact CG1-CE2 3.99Å; Y925-K933 WeakPolarHBondContact CA-O 3.25Å; Y925-R934 HydrophobicContact CD1-CB 4.27Å; Y925-R934 HydrophobicContact CE1-CB 4.04Å; Y925-R934 HydrophobicContact CE1-CG 4.16Å
926	Y	70.9	Confident	53.5	Low	126 Å²	126	115.3 Å²	115.3	49%	0.494	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.1	155.6	170.3	65.6	-91	0	0	0	110.7	D928 K933 A935	Y926-D928 HydrophobicContact CD2-CB 4.42Å; Y926-D928 HydrophobicContact CE2-CB 4.21Å; Y926-K933 HydrophobicContact CE2-CB 4.47Å; Y926-K933 PolarHBondContact N-O 2.81Å; Y926-K933 PolarHBondContact O-N 3.46Å; Y926-A935 HydrophobicContact CD1-CB 4.29Å; Y926-A935 HydrophobicContact CE1-CB 3.68Å
927	T	67.1	Low	54.7	Low	103 Å²	103	108.2 Å²	108.2	63%	0.632	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.7	125.5	-179.2	41.9	0	0	0	0	110.2	R932	T927-R932 HydrophobicContact CG2-CB 4.3Å; T927-R932 HydrophobicContact CG2-CG 3.97Å
928	D	53.6	Low	55	Low	61 Å²	61	114.4 Å²	114.4	33%	0.326	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.9	122.1	176.7	174.9	30.9	0	0	0	108.6	Y926 G930 I931 K933	Y926-D928 HydrophobicContact CD2-CB 4.42Å; Y926-D928 HydrophobicContact CE2-CB 4.21Å; D928-G930 VanDerWaalsContact C-N 3.3Å; D928-G930 PolarHBondContact O-N 2.77Å; D928-I931 PolarHBondContact N-O 2.71Å; D928-I931 PolarHBondContact O-N 2.73Å; D928-K933 HydrophobicContact CB-CD 4.24Å; D928-K933 IonicContact OD2-NZ 2.62Å; D928-K933 PolarHBondContact OD2-NZ 3Å
929	N	50.2	Low	55.2	Low	155 Å²	155	114.1 Å²	114.1	83%	0.829	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.9	47.4	-173	-66.7	-17.7	0	0	0	114.2	I931	N929-I931 PolarHBondContact O-N 2.97Å
930	G	59.8	Low	55.4	Low	81 Å²	81	112.8 Å²	112.8	84%	0.835	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.4	-1.8	178.8	0	0	0	0	0	115	D928	D928-G930 VanDerWaalsContact C-N 3.3Å; D928-G930 PolarHBondContact O-N 2.77Å
931	I	54	Low	55.2	Low	112 Å²	112	109.1 Å²	109.1	57%	0.574	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.9	126.4	178.7	-57.2	174.7	0	0	0	109.4	D928 N929 K933	D928-I931 PolarHBondContact N-O 2.71Å; D928-I931 PolarHBondContact O-N 2.73Å; N929-I931 PolarHBondContact O-N 2.97Å; I931-K933 PolarHBondContact O-N 2.95Å
932	R	62.5	Low	54.8	Low	195 Å²	195	112.9 Å²	112.9	74%	0.736	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.5	116.6	178.5	-147.1	171.5	-175.1	-164.1	1.4	109.6	T927	T927-R932 HydrophobicContact CG2-CB 4.3Å; T927-R932 HydrophobicContact CG2-CG 3.97Å
933	K	65.3	Low	54.2	Low	89 Å²	89	117 Å²	117	39%	0.387	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	149.9	-179.8	-65.3	-179.7	-175	169.4	0	111	Y925 Y926 D928 I931	Y925-K933 WeakPolarHBondContact CA-O 3.25Å; Y926-K933 HydrophobicContact CE2-CB 4.47Å; Y926-K933 PolarHBondContact N-O 2.81Å; Y926-K933 PolarHBondContact O-N 3.46Å; D928-K933 HydrophobicContact CB-CD 4.24Å; D928-K933 IonicContact OD2-NZ 2.62Å; D928-K933 PolarHBondContact OD2-NZ 3Å; I931-K933 PolarHBondContact O-N 2.95Å
934	R	72.9	Confident	52.4	Low	167 Å²	167	119.4 Å²	119.4	63%	0.63	63%	0.625	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.3	134.9	-179.5	-178.2	-168.3	-70.1	-177.3	-0.3	109.7	V923 Y925	V923-R934 HydrophobicContact CG1-CG 3.51Å; Y925-R934 HydrophobicContact CD1-CB 4.27Å; Y925-R934 HydrophobicContact CE1-CB 4.04Å; Y925-R934 HydrophobicContact CE1-CG 4.16Å
935	A	61.7	Low	50.7	Low	32 Å²	32	122.8 Å²	122.8	26%	0.264	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.5	153.8	168	0	0	0	0	0	112.5	I924 Y926	I924-A935 PolarHBondContact N-O 2.9Å; I924-A935 PolarHBondContact O-N 2.93Å; Y926-A935 HydrophobicContact CD1-CB 4.29Å; Y926-A935 HydrophobicContact CE1-CB 3.68Å
936	H	66	Low	48.2	Very low	122 Å²	122	122.7 Å²	122.7	57%	0.565	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94	131.1	175.9	-67.5	-81.3	0	0	0	109.7	Y938	H936-Y938 PolarHBondContact O-N 2.66Å
937	A	52.7	Low	46.1	Very low	39 Å²	39	126.1 Å²	126.1	32%	0.322	67%	0.668	S	S	.	*			trans	-71.1	117.8	175.9	0	0	0	0	0	110.2	S922 I924 S939	S922-A937 PolarHBondContact O-N 3.27Å; I924-A937 HydrophobicContact CD1-CB 4.08Å; A937-S939 PolarHBondContact O-N 3.46Å
938	Y	36.5	Very low	44.1	Very low	237 Å²	237	126.2 Å²	126.2	93%	0.929	67%	0.67	S	S	*	*			trans	-72.7	109.2	168.8	-98	-84.3	0	0	0	108.9	H936	H936-Y938 PolarHBondContact O-N 2.66Å
939	S	36	Very low	42.5	Very low	107 Å²	107	131.3 Å²	131.3	75%	0.748	70%	0.697	S	S	*	*			trans	-89.9	121	166.6	-163.1	0	0	0	0	108.7	A937 S941	A937-S939 PolarHBondContact O-N 3.46Å; S939-S941 PolarHBondContact O-N 2.9Å; S939-S941 VanDerWaalsContact O-N 3.09Å
940	P	36.7	Very low	41.4	Very low	119 Å²	119	131.5 Å²	131.5	77%	0.773	70%	0.696	S	S	*	*			trans	-68.6	110.6	-179.1	25	-29.4	0	0	0	109.9	N942	P940-N942 PolarHBondContact O-N 2.93Å; P940-N942 VanDerWaalsContact O-N 3.15Å
941	S	30.9	Very low	39.6	Very low	95 Å²	95	132 Å²	132	66%	0.664	69%	0.687	S	S	*	*			trans	-64.2	111.3	172.1	59.5	0	0	0	0	109.8	S939 K943	S939-S941 PolarHBondContact O-N 2.9Å; S939-S941 VanDerWaalsContact O-N 3.09Å; S941-K943 VanDerWaalsContact C-N 3.31Å; S941-K943 PolarHBondContact O-N 3.47Å
942	N	29.5	Very low	38.2	Very low	168 Å²	168	134.5 Å²	134.5	90%	0.898	70%	0.697	S	S	*	*			trans	-62.5	91.8	163.4	-94.5	-15.9	0	0	0	108.9	P940 S944	P940-N942 PolarHBondContact O-N 2.93Å; P940-N942 VanDerWaalsContact O-N 3.15Å; N942-S944 PolarHBondContact O-N 2.92Å
943	K	29.3	Very low	36.5	Very low	164 Å²	164	133.1 Å²	133.1	71%	0.713	70%	0.698	S	S	*	*			trans	-74.4	105.5	160.5	-76	-175.1	178	-179.7	0	107.2	S941 F945	S941-K943 VanDerWaalsContact C-N 3.31Å; S941-K943 PolarHBondContact O-N 3.47Å; K943-F945 HydrophobicContact CB-CE2 4.5Å; K943-F945 PolarHBondContact O-N 2.95Å
944	S	25.2	Very low	34.5	Very low	116 Å²	116	136 Å²	136	81%	0.811	72%	0.718	S	S	*	*			trans	-57.7	104.3	165.3	44.3	0	0	0	0	108.8	N942	N942-S944 PolarHBondContact O-N 2.92Å
945	F	27.1	Very low	32.3	Very low	171 Å²	171	135.6 Å²	135.6	75%	0.75	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-78.9	126.7	163.5	-83.1	-83.5	0	0	0	108.2	K943 F947	K943-F945 HydrophobicContact CB-CE2 4.5Å; K943-F945 PolarHBondContact O-N 2.95Å; F945-F947 PolarHBondContact O-N 2.84Å
946	P	25	Very low	30.5	Very low	118 Å²	118	139.6 Å²	139.6	77%	0.766	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-75.1	118	-178	29.9	-30.7	0	0	0	109
947	F	25.7	Very low	28.4	Very low	198 Å²	198	139.3 Å²	139.3	87%	0.868	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-79.3	127.9	163.9	-81.8	-80.8	0	0	0	109	F945	F945-F947 PolarHBondContact O-N 2.84Å
948	P	25.8	Very low	27.1	Very low	105 Å²	105	146.1 Å²	146.1	68%	0.682	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-78.3	135.3	-176.1	30.9	-31.5	0	0	0	110.9	I950	P948-I950 PolarHBondContact O-N 3.33Å
949	N	20.1	Very low	26.4	Very low	168 Å²	168	139.2 Å²	139.2	90%	0.898	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.1	118.6	160.9	-86.2	-24.7	0	0	0	109.4
950	I	27.2	Very low	26	Very low	158 Å²	158	139.9 Å²	139.9	81%	0.81	78%	0.775	S	S	*	*			trans	-125.7	114.2	155.4	-66.4	178.8	0	0	0	108.3	P948	P948-I950 PolarHBondContact O-N 3.33Å
951	S	21.6	Very low	25.4	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	78%	0.778	S	S	*	*			trans	-80.9	152	168.8	56.9	0	0	0	0	111.2
952	Q	24.3	Very low	25.2	Very low	164 Å²	164	146.7 Å²	146.7	77%	0.766	79%	0.787	S	S	*	*			trans	87.6	139.7	152.4	-63.2	-178.8	-1	0	0	120.7
953	Q	26.6	Very low	24.9	Very low	166 Å²	166	145.3 Å²	145.3	78%	0.776	78%	0.78	S	S	*	*			trans	87.3	106.9	157.6	-68.9	165.9	10.2	0	0	117.1
954	N	24.3	Very low	24.7	Very low	149 Å²	149	142.3 Å²	142.3	80%	0.797	78%	0.78	S	S	*	*				74.7	108.8	76.4	-84.6	-7.2	0	0	0	114.5
955	L	26.2	Very low	24.8	Very low	159 Å²	159	144.2 Å²	144.2	83%	0.832	78%	0.78	S	S	*	*			trans	160.8	108	137.2	-116.6	78	0	0	0	106.5
956	V	24.6	Very low	24.7	Very low	117 Å²	117	145 Å²	145	71%	0.709	78%	0.783	S	S	*	*				63.7	110.1	70.1	-178.3	0	0	0	0	113.6
957	T	22.3	Very low	24.6	Very low	115 Å²	115	147.6 Å²	147.6	71%	0.706	79%	0.785	S	S	*	*			trans	58.8	115.4	156	43.1	0	0	0	0	120.1
958	M	24.5	Very low	24.5	Very low	182 Å²	182	144.7 Å²	144.7	90%	0.897	78%	0.784	S	S	*	*				-146.2	110.6	117.2	-86.6	-56	174	0	0	109.2
959	A	22.3	Very low	24.3	Very low	93 Å²	93	145.7 Å²	145.7	77%	0.769	79%	0.788	S	S	*	*			trans	-113.2	117.9	163.7	0	0	0	0	0	106.8
960	T	27.7	Very low	24.5	Very low	120 Å²	120	145.2 Å²	145.2	74%	0.736	78%	0.783	S	S	*	*			trans	-151.5	110.7	160.6	47.9	0	0	0	0	109.9
961	K	22.6	Very low	24.3	Very low	194 Å²	194	143 Å²	143	84%	0.843	78%	0.777	S	S	*	*				38.9	124.3	129	-67.3	176.3	174.2	178	0	118
962	L	26.5	Very low	24.1	Very low	164 Å²	164	144 Å²	144	86%	0.859	78%	0.78	S	S	*	*				-165.8	132.1	96.5	-160.2	65	0	0	0	111.5
963	D	23.4	Very low	24.2	Very low	138 Å²	138	142.5 Å²	142.5	74%	0.738	78%	0.782	S	S	*	*			trans	-59.7	161.7	168.8	-68.2	-62.3	0	0	0	113.9
964	S	26	Very low	24	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	78%	0.781	S	S	*	*				125.7	134.7	124.6	71.3	0	0	0	0	118.2
965	L	26.9	Very low	24	Very low	156 Å²	156	141.3 Å²	141.3	82%	0.817	79%	0.785	S	S	*	*			trans	90.1	87.2	151	-72.6	144.4	0	0	0	120.4
966	K	25.4	Very low	24.5	Very low	187 Å²	187	138.7 Å²	138.7	81%	0.813	78%	0.777	S	S	*	*				7.8	130.4	125.7	-66	-177.1	175.5	-178.5	0	119
967	Q	22.5	Very low	24.6	Very low	172 Å²	172	141 Å²	141	80%	0.804	78%	0.784	S	S	*	*			trans	26.9	119.9	131.2	-69.5	174.3	-17.3	0	0	118.3
968	T	24.9	Very low	24.5	Very low	138 Å²	138	140 Å²	140	85%	0.847	78%	0.782	S	S	*	*				178.6	140.8	103	23.6	0	0	0	0	112.7
969	T	19.9	Very low	24.3	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	78%	0.778	S	S	*	*			trans	-43.5	148.5	162	33	0	0	0	0	116.4
970	I	25.4	Very low	24.3	Very low	158 Å²	158	138.6 Å²	138.6	81%	0.81	77%	0.771	S	S	*	*			trans	-174.9	115.6	132.8	-96.7	161.6	0	0	0	111.5
971	T	21.7	Very low	24	Very low	111 Å²	111	138.5 Å²	138.5	68%	0.681	77%	0.771	S	S	*	*			trans	49	127	137.2	40.6	0	0	0	0	125.8
972	T	19.2	Very low	24.1	Very low	115 Å²	115	134.9 Å²	134.9	71%	0.706	77%	0.765	S	S	*	*			trans	53	116.5	131.3	60.5	0	0	0	0	121.6
973	T	24.6	Very low	24	Very low	132 Å²	132	132.7 Å²	132.7	81%	0.81	76%	0.758	S	S	*	*				170.9	126.5	112.8	30.8	0	0	0	0	112.7
974	T	23.3	Very low	24.1	Very low	123 Å²	123	131.9 Å²	131.9	76%	0.755	76%	0.759	S	S	*	*			trans	20.9	129.9	143.5	54.6	0	0	0	0	124.3
975	L	25.1	Very low	24.2	Very low	167 Å²	167	134.5 Å²	134.5	87%	0.874	77%	0.765	S	S	*	*			trans	93.8	151	139.7	-71.7	170.6	0	0	0	120.8
976	P	35.6	Very low	24.2	Very low	104 Å²	104	133.7 Å²	133.7	68%	0.675	76%	0.761	S	S	*	*			trans	-105.9	173.2	-149.3	41.9	-34.5	0	0	0	113.2
977	I	25.9	Very low	24.4	Very low	166 Å²	166	132.9 Å²	132.9	85%	0.851	77%	0.766	S	S	*	*			trans	-178.9	147.8	138.9	-89.9	148.1	0	0	0	109.8
978	S	20.9	Very low	24.5	Very low	94 Å²	94	130.3 Å²	130.3	66%	0.657	76%	0.762	S	S	*	*			trans	-73.4	171.2	178.7	36.7	0	0	0	0	115.8
979	L	21.5	Very low	24.4	Very low	154 Å²	154	132.2 Å²	132.2	81%	0.806	76%	0.763	S	S	*	*			trans	104.8	118.6	156.7	-76.1	109	0	0	0	121
980	S	21.8	Very low	24.5	Very low	90 Å²	90	130.9 Å²	130.9	63%	0.629	76%	0.759	S	S	*	*				77.8	124.4	127.2	68	0	0	0	0	124.2
981	T	21.2	Very low	24.4	Very low	119 Å²	119	129 Å²	129	73%	0.73	76%	0.755	S	S	*	*			trans	66	126.2	132.7	59.5	0	0	0	0	121.9
982	T	23.6	Very low	24.5	Very low	118 Å²	118	130.7 Å²	130.7	72%	0.724	76%	0.759	S	S	*	*				160.5	145.8	104.2	40.3	0	0	0	0	115.2
983	T	26.2	Very low	24.7	Very low	117 Å²	117	130.8 Å²	130.8	72%	0.718	76%	0.759	S	S	*	*			trans	63.2	121.1	145.2	52.4	0	0	0	0	121
984	T	24.1	Very low	24.6	Very low	122 Å²	122	131.2 Å²	131.2	75%	0.748	76%	0.757	S	S	*	*				72.9	112.6	51.7	66.8	0	0	0	0	117.5
985	N	28.5	Very low	24.7	Very low	157 Å²	157	131.5 Å²	131.5	84%	0.84	76%	0.758	S	S	*	*			trans	-164.8	115.8	147.4	-93.9	-18.9	0	0	0	107.2
986	N	27	Very low	24.7	Very low	139 Å²	139	132 Å²	132	74%	0.743	76%	0.761	S	S	*	*				72.3	109.2	64.6	-77.1	-6.2	0	0	0	115.5
987	N	30.5	Very low	24.1	Very low	170 Å²	170	135.8 Å²	135.8	91%	0.909	77%	0.769	S	S	*	*			trans	-160.2	144.3	132.6	-99.7	-15.9	0	0	0	112.1
988	T	24	Very low	24.1	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.724	77%	0.771	S	S	*	*			trans	-131.3	142.6	-157.1	42.5	0	0	0	0	110.9
989	M	23	Very low	24.1	Very low	177 Å²	177	142.2 Å²	142.2	87%	0.872	78%	0.775	S	S	*	*			trans	-169	124.8	139.4	-147.2	93.5	88.9	0	0	113.6
990	S	21.4	Very low	24.1	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	78%	0.775	S	S	*	*			trans	27.8	143.1	143.7	71.4	0	0	0	0	122.5
991	T	23.5	Very low	24.4	Very low	118 Å²	118	146.4 Å²	146.4	72%	0.724	78%	0.784	S	S	*	*			cis	-162.7	129.1	40.8	35.6	0	0	0	0	110.5
992	I	22.7	Very low	24.6	Very low	147 Å²	147	145 Å²	145	75%	0.754	78%	0.779	S	S	*	*				83.4	121.9	92.9	-62.5	175.5	0	0	0	118.2
993	T	24.4	Very low	24.4	Very low	116 Å²	116	150.2 Å²	150.2	71%	0.712	79%	0.785	S	S	*	*			trans	68.1	108.5	154.3	60.1	0	0	0	0	123.8
994	N	22.4	Very low	24.4	Very low	142 Å²	142	153.5 Å²	153.5	76%	0.759	80%	0.795	S	S	*	*				162.8	125.2	97.2	-95.6	-14.4	0	0	0	112.7
995	T	24.5	Very low	24.4	Very low	128 Å²	128	154 Å²	154	79%	0.785	79%	0.793	S	S	*	*			trans	42.3	102.5	149.6	60.7	0	0	0	0	121.3
996	L	25.5	Very low	24.2	Very low	177 Å²	177	154.9 Å²	154.9	93%	0.927	79%	0.792	S	S	*	*				-165.3	125.1	121.8	-147.7	75.3	0	0	0	110.2	K998	L996-K998 PolarHBondContact O-N 2.97Å
997	H	23.6	Very low	24	Very low	184 Å²	184	153.2 Å²	153.2	85%	0.852	79%	0.791	S	S	*	*			trans	-63.8	119.3	-173.8	-81.2	-75.9	0	0	0	113.9
998	K	25	Very low	24	Very low	203 Å²	203	150.2 Å²	150.2	88%	0.883	78%	0.781	S	S	*	*			trans	-130	119.3	152	-93.9	-177.3	177.2	178.6	0	108.8	L996	L996-K998 PolarHBondContact O-N 2.97Å
999	Y	20.9	Very low	23.9	Very low	193 Å²	193	152.6 Å²	152.6	76%	0.757	79%	0.788	S	S	*	*			trans	-59.2	131.7	177.1	-76.9	-93.7	0	0	0	111.8	Y1001	Y999-Y1001 HydrophobicContact CD1-CD2 4.42Å; Y999-Y1001 HydrophobicContact CD1-CE2 4.06Å
1000	P	23.2	Very low	24.3	Very low	123 Å²	123	149.8 Å²	149.8	80%	0.799	78%	0.781	S	S	*	*			trans	-96.5	110.6	157.3	32.1	-20.4	0	0	0	108.6
1001	Y	26.5	Very low	24.3	Very low	208 Å²	208	150.3 Å²	150.3	82%	0.816	78%	0.78	S	S	*	*			trans	-103.5	133.9	160.7	-93.5	-79.2	0	0	0	110.3	Y999	Y999-Y1001 HydrophobicContact CD1-CD2 4.42Å; Y999-Y1001 HydrophobicContact CD1-CE2 4.06Å
1002	S	26.4	Very low	24.5	Very low	89 Å²	89	149 Å²	149	62%	0.622	78%	0.776	S	S	*	*			trans	-58.4	135.4	-179.4	50.3	0	0	0	0	114.6	M1004	S1002-M1004 PolarHBondContact O-N 3.47Å; S1002-M1004 VanDerWaalsContact O-N 3.14Å
1003	R	20.2	Very low	24.5	Very low	228 Å²	228	148.6 Å²	148.6	86%	0.86	78%	0.775	S	S	*	*				10.3	90.7	125.7	-152.6	-175.3	-71.1	-165.1	-0.5	114.4
1004	M	25	Very low	24.8	Very low	187 Å²	187	148.9 Å²	148.9	92%	0.921	78%	0.776	S	S	*	*			trans	-96	109.6	155.1	-76	-124	122.2	0	0	107.8	S1002	S1002-M1004 PolarHBondContact O-N 3.47Å; S1002-M1004 VanDerWaalsContact O-N 3.14Å
1005	N	25.4	Very low	24.8	Very low	132 Å²	132	149.2 Å²	149.2	71%	0.706	78%	0.775	S	S	*	*			trans	-78.9	151.8	162.4	-94.6	-17.6	0	0	0	109
1006	Q	23.7	Very low	25.2	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	78%	0.775	S	S	*	*			trans	89.2	99.9	159.1	-70.5	170.4	-11.6	0	0	119.3
1007	S	22.6	Very low	25.3	Very low	104 Å²	104	149.6 Å²	149.6	73%	0.727	77%	0.766	S	S	*	*				44.5	144.9	116.6	63.2	0	0	0	0	120.3
1008	P	30.4	Very low	25.4	Very low	106 Å²	106	147.5 Å²	147.5	69%	0.688	76%	0.762	S	S	*	*			cis	-140.3	153.7	37.1	35.1	-14	0	0	0	117.8	V1010	P1008-V1010 HydrophobicContact CG-CG2 4.3Å; P1008-V1010 PolarHBondContact O-N 3.35Å
1009	L	22.9	Very low	25.9	Very low	168 Å²	168	143.9 Å²	143.9	88%	0.88	76%	0.759	S	S	*	*			trans	-50.9	116	145.8	-74.1	151.6	0	0	0	108.7
1010	V	29.6	Very low	26.2	Very low	118 Å²	118	142.2 Å²	142.2	72%	0.715	76%	0.758	S	S	*	*			trans	-111.1	98.6	157	178	0	0	0	0	106.6	P1008	P1008-V1010 HydrophobicContact CG-CG2 4.3Å; P1008-V1010 PolarHBondContact O-N 3.35Å
1011	V	21.9	Very low	26.5	Very low	109 Å²	109	143.1 Å²	143.1	66%	0.661	76%	0.756	S	S	*	*			trans	-64.3	121.6	151.2	172.9	0	0	0	0	106.2
1012	S	27.6	Very low	26.8	Very low	92 Å²	92	141.9 Å²	141.9	64%	0.643	76%	0.757	S	S	*	*			trans	-132.3	90.3	148	60.9	0	0	0	0	107	V1014	S1012-V1014 VanDerWaalsContact C-N 3.35Å; S1012-V1014 PolarHBondContact O-N 2.92Å
1013	N	24.2	Very low	26.9	Very low	137 Å²	137	146.2 Å²	146.2	73%	0.733	77%	0.773	S	S	*	*			trans	-48.8	105.5	151.7	-68.2	-6	0	0	0	106.9	M1015	N1013-M1015 PolarHBondContact O-N 3.4Å
1014	V	30.4	Very low	27.5	Very low	122 Å²	122	140.8 Å²	140.8	74%	0.739	77%	0.765	S	S	*	*			trans	-81.6	91.7	158.3	179	0	0	0	0	104.9	S1012 I1016	S1012-V1014 VanDerWaalsContact C-N 3.35Å; S1012-V1014 PolarHBondContact O-N 2.92Å; V1014-I1016 HydrophobicContact CG1-CG1 4.36Å; V1014-I1016 PolarHBondContact O-N 3.21Å; V1014-I1016 VanDerWaalsContact O-N 3.14Å
1015	M	21.9	Very low	27.8	Very low	149 Å²	149	137.7 Å²	137.7	73%	0.734	76%	0.759	S	S	*	*			trans	-49.2	110.4	159.5	-74.4	-102.2	-69.7	0	0	108	N1013	N1013-M1015 PolarHBondContact O-N 3.4Å
1016	I	32	Very low	27.9	Very low	155 Å²	155	139 Å²	139	80%	0.795	77%	0.765	S	S	*	*			trans	-104.7	108.1	150	-61	179.5	0	0	0	103.4	V1014 D1018	V1014-I1016 HydrophobicContact CG1-CG1 4.36Å; V1014-I1016 PolarHBondContact O-N 3.21Å; V1014-I1016 VanDerWaalsContact O-N 3.14Å; I1016-D1018 PolarHBondContact O-N 2.96Å
1017	E	28.7	Very low	28.3	Very low	158 Å²	158	136.5 Å²	136.5	74%	0.738	76%	0.764	S	S	*	*			trans	-48.7	129.3	-178.3	-66.6	169.9	149.2	0	0	110.8	P1019	E1017-P1019 VanDerWaalsContact O-CD 3.27Å; E1017-P1019 WeakPolarHBondContact O-CD 3.35Å
1018	D	26.2	Very low	28.6	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	77%	0.766	S	S	*	*			trans	-59.5	118.6	160.4	-82.2	-39.4	0	0	0	108.4	I1016 Q1020	I1016-D1018 PolarHBondContact O-N 2.96Å; D1018-Q1020 HydrophobicContact CB-CG 4.45Å; D1018-Q1020 PolarHBondContact O-N 3.39Å; D1018-Q1020 VanDerWaalsContact O-N 3.08Å
1019	P	34.4	Very low	28.7	Very low	126 Å²	126	143.6 Å²	143.6	82%	0.818	77%	0.772	S	S	*	*			trans	-77.3	88.9	152.5	18.5	-1.4	0	0	0	106.1	E1017	E1017-P1019 VanDerWaalsContact O-CD 3.27Å; E1017-P1019 WeakPolarHBondContact O-CD 3.35Å
1020	Q	26.4	Very low	29	Very low	158 Å²	158	147.5 Å²	147.5	74%	0.738	78%	0.777	S	S	*	*			trans	-58.1	144.2	154.2	-75.6	-176.8	-20.8	0	0	108.9	D1018	D1018-Q1020 HydrophobicContact CB-CG 4.45Å; D1018-Q1020 PolarHBondContact O-N 3.39Å; D1018-Q1020 VanDerWaalsContact O-N 3.08Å
1021	D	31	Very low	29	Very low	142 Å²	142	151.1 Å²	151.1	76%	0.759	78%	0.783	S	S	*	*	S	Bend	trans	74.6	83.3	162.1	-56.7	-20.5	0	0	0	118.2
1022	Q	31.5	Very low	29.1	Very low	182 Å²	182	155.5 Å²	155.5	85%	0.85	80%	0.796	S	S	*	*				173.6	80.6	121.4	-92.5	166.7	37.4	0	0	110.2	T1024	Q1022-T1024 PolarHBondContact O-N 2.98Å; Q1022-T1024 VanDerWaalsContact O-N 3.1Å
1023	L	28.9	Very low	29.4	Very low	181 Å²	181	155.9 Å²	155.9	95%	0.948	80%	0.799	S	S	*	*			trans	-73.9	94.7	161	-80.3	160.9	0	0	0	108.1
1024	T	32.3	Very low	29.4	Very low	113 Å²	113	155.2 Å²	155.2	69%	0.693	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.2	162.6	49.5	0	0	0	0	108.8	Q1022 L1026	Q1022-T1024 PolarHBondContact O-N 2.98Å; Q1022-T1024 VanDerWaalsContact O-N 3.1Å; T1024-L1026 PolarHBondContact O-N 3.1Å
1025	P	31.8	Very low	29.6	Very low	122 Å²	122	156.3 Å²	156.3	79%	0.792	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.8	135.5	-175.5	24	-32.3	0	0	0	111.6
1026	L	28.3	Very low	29.8	Very low	161 Å²	161	156.4 Å²	156.4	84%	0.843	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-61.3	133	177.1	-73.4	163.2	0	0	0	110.2	T1024 I1028	T1024-L1026 PolarHBondContact O-N 3.1Å; L1026-I1028 PolarHBondContact O-N 2.63Å
1027	P	30.9	Very low	29.6	Very low	123 Å²	123	157.3 Å²	157.3	80%	0.799	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71.7	117.4	-175.8	-10.3	25.4	0	0	0	111.1	Y1029	P1027-Y1029 PolarHBondContact O-N 3.26Å
1028	I	30.5	Very low	29.5	Very low	149 Å²	149	154.4 Å²	154.4	76%	0.764	81%	0.812	S	S	*	*			trans	-77.3	102.7	161.1	-57	164.4	0	0	0	105.1	L1026	L1026-I1028 PolarHBondContact O-N 2.63Å
1029	Y	32.3	Very low	29.8	Very low	210 Å²	210	157.3 Å²	157.3	82%	0.824	82%	0.821	S	S	*	*			trans	159.1	101.4	153.9	-84	-62.5	0	0	0	108.6	P1027 K1031	P1027-Y1029 PolarHBondContact O-N 3.26Å; Y1029-K1031 PolarHBondContact O-N 3.32Å; Y1029-K1031 VanDerWaalsContact O-N 3.15Å
1030	Y	28.5	Very low	29.6	Very low	250 Å²	250	156.2 Å²	156.2	98%	0.98	82%	0.816	S	S	*	*			trans	-68	105.1	166.3	-92.1	-94.2	0	0	0	108.6
1031	K	29.1	Very low	29.7	Very low	194 Å²	194	155.5 Å²	155.5	84%	0.843	82%	0.816	S	S	*	*			trans	-95.4	122.9	164.2	-101.3	-177.7	176.2	178.2	0	109	Y1029 S1033	Y1029-K1031 PolarHBondContact O-N 3.32Å; Y1029-K1031 VanDerWaalsContact O-N 3.15Å; K1031-S1033 PolarHBondContact O-N 3.44Å
1032	E	24.7	Very low	29.6	Very low	200 Å²	200	157.6 Å²	157.6	94%	0.935	82%	0.818	S	S	*	*			trans	-53.4	122	169.3	-65.6	172.9	155.6	0	0	109.6
1033	S	32.9	Very low	29.3	Very low	100 Å²	100	160.9 Å²	160.9	70%	0.699	82%	0.823	S	S	*	*			trans	-116.6	115.1	169.2	45.8	0	0	0	0	109.1	K1031	K1031-S1033 PolarHBondContact O-N 3.44Å
1034	S	25.5	Very low	29.3	Very low	124 Å²	124	156 Å²	156	87%	0.867	82%	0.816	S	S	*	*			trans	-67.7	123.3	168	41.4	0	0	0	0	109.4
1035	I	34.7	Very low	29.2	Very low	145 Å²	145	156.2 Å²	156.2	74%	0.744	82%	0.822	S	S	*	*			trans	-117.6	124	172.4	-64.6	173.1	0	0	0	108.2
1036	D	24.7	Very low	29.1	Very low	151 Å²	151	157.2 Å²	157.2	81%	0.807	83%	0.826	S	S	*	*			trans	-80.2	119.7	-170.6	-151.6	-2	0	0	0	110.9	S1038	D1036-S1038 PolarHBondContact O-N 3.34Å
1037	L	29.1	Very low	29.4	Very low	173 Å²	173	154.9 Å²	154.9	91%	0.906	82%	0.82	S	S	*	*			trans	-97.1	75.9	-172.9	-84.3	148.7	0	0	0	110.7
1038	S	26.4	Very low	29.4	Very low	97 Å²	97	155.5 Å²	155.5	68%	0.678	82%	0.817	S	S	*	*			trans	-128.1	48.9	172	62.3	0	0	0	0	112.8	D1036	D1036-S1038 PolarHBondContact O-N 3.34Å
1039	Q	33	Very low	29.8	Very low	202 Å²	202	155.1 Å²	155.1	94%	0.944	82%	0.821	S	S	*	*			trans	-134.9	111.3	161.1	-71.9	-168.6	0.2	0	0	112.2
1040	S	29.7	Very low	29.8	Very low	103 Å²	103	150.7 Å²	150.7	72%	0.72	82%	0.816	S	S	*	*			trans	-96.4	157.1	179.4	54.6	0	0	0	0	111.9
1041	I	27.2	Very low	30.1	Very low	143 Å²	143	147.1 Å²	147.1	73%	0.733	81%	0.806	S	S	*	*			trans	80.8	114.5	151.4	-18	179.3	0	0	0	119.5
1042	K	29.3	Very low	30.3	Very low	186 Å²	186	146.1 Å²	146.1	81%	0.809	80%	0.804	S	S	*	*				159.7	120.8	100	-86	-173.1	-176.8	171.3	0	113.8
1043	R	25.6	Very low	30.8	Very low	252 Å²	252	142.3 Å²	142.3	95%	0.951	80%	0.8	S	S	*	*			trans	23.6	121.4	140	-64.4	-173.9	178	-169	-0.9	119.8
1044	G	28.1	Very low	31.1	Very low	79 Å²	79	141.9 Å²	141.9	81%	0.814	80%	0.797	S	S	*	*				96.1	74.5	119.9	0	0	0	0	0	118.8
1045	S	31	Very low	32	Very low	116 Å²	116	142.2 Å²	142.2	81%	0.811	79%	0.793	S	S	*	*			trans	-167.2	133.3	150.1	40.3	0	0	0	0	109.9
1046	V	29.3	Very low	32.4	Very low	144 Å²	144	140.5 Å²	140.5	87%	0.873	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-59	131.8	-178.6	-179.7	0	0	0	0	110.1
1047	P	35.2	Very low	34.4	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-81.1	138.6	-173.7	-6.1	23.8	0	0	0	112.7
1048	D	29.8	Very low	36.3	Very low	136 Å²	136	132 Å²	132	73%	0.727	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-78.6	122.8	177.3	-159.7	-1.5	0	0	0	110.7	T1050	D1048-T1050 VanDerWaalsContact C-N 3.3Å; D1048-T1050 PolarHBondContact O-N 3.44Å
1049	V	38.9	Very low	38.4	Very low	141 Å²	141	133 Å²	133	86%	0.855	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	6.4	-161.8	-177.5	0	0	0	0	114.4
1050	T	33.8	Very low	40.6	Very low	118 Å²	118	127.5 Å²	127.5	72%	0.724	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-1.8	178.2	59.5	0	0	0	0	115	D1048	D1048-T1050 VanDerWaalsContact C-N 3.3Å; D1048-T1050 PolarHBondContact O-N 3.44Å
1051	K	33.7	Very low	42.6	Very low	174 Å²	174	127.4 Å²	127.4	76%	0.757	72%	0.716	S	S	*	*	S	Bend	trans	-145	85.6	-179.7	-65.4	-176.9	-177.4	177.7	0	111.2
1052	Q	33.6	Very low	45.1	Very low	173 Å²	173	125.1 Å²	125.1	81%	0.808	71%	0.705	S	S	*	*			trans	162.6	101.5	141.7	-88.9	164.7	20.2	0	0	109.3	S1054	Q1052-S1054 PolarHBondContact O-N 3.36Å
1053	S	35.3	Very low	47.7	Very low	121 Å²	121	122.4 Å²	122.4	85%	0.846	69%	0.693	S	S	*	*			trans	-68.2	68.9	153	52.8	0	0	0	0	108.7	T1055	S1053-T1055 PolarHBondContact O-N 3.29Å
1054	S	39.6	Very low	50.3	Low	91 Å²	91	114.1 Å²	114.1	64%	0.636	67%	0.667	S	S	*	*			trans	-83	92.4	173.7	56.7	0	0	0	0	108.2	Q1052 L1056	Q1052-S1054 PolarHBondContact O-N 3.36Å; S1054-L1056 PolarHBondContact O-N 3.38Å
1055	T	44.2	Very low	52.9	Low	130 Å²	130	116.5 Å²	116.5	80%	0.798	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-47.5	121.4	164.8	50.3	0	0	0	0	109.6	S1053 S1057	S1053-T1055 PolarHBondContact O-N 3.29Å; T1055-S1057 PolarHBondContact O-N 3.42Å
1056	L	43.7	Very low	55.5	Low	109 Å²	109	117 Å²	117	57%	0.571	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-53.5	128	169	-81.4	146.1	0	0	0	108.8	S1054 D1060	S1054-L1056 PolarHBondContact O-N 3.38Å; L1056-D1060 HydrophobicContact CD2-CB 3.93Å
1057	S	67.2	Low	58.1	Low	51 Å²	51	114.9 Å²	114.9	36%	0.357	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-62	146.4	175.5	177.3	0	0	0	0	109.7	T1055 N1059 D1060 L1061	T1055-S1057 PolarHBondContact O-N 3.42Å; S1057-N1059 PolarHBondContact O-N 3.17Å; S1057-D1060 WeakPolarHBondContact CB-OD2 3.38Å; S1057-D1060 WeakPolarHBondContact O-CA 3.38Å; S1057-D1060 WeakPolarHBondContact O-CB 3.32Å; S1057-D1060 PolarHBondContact O-N 3.39Å; S1057-L1061 PolarHBondContact O-N 3.13Å
1058	P	67.9	Low	60.3	Low	96 Å²	96	115.1 Å²	115.1	62%	0.623	62%	0.618	S	S	*	*	H	α-helix	trans	-50.5	-33.5	176.8	-28.4	35	0	0	0	113.9	L1061 L1062	P1058-L1061 WeakPolarHBondContact O-CB 3.36Å; P1058-L1061 PolarHBondContact O-N 3.04Å; P1058-L1062 PolarHBondContact O-N 3.38Å
1059	N	69.7	Low	63	Low	118 Å²	118	115 Å²	115	63%	0.631	61%	0.611	S	S	*	*	H	α-helix	trans	-71.8	-35.9	176.6	-69.6	-20.3	0	0	0	112.8	S1057 L1061 K1063	S1057-N1059 PolarHBondContact O-N 3.17Å; N1059-L1061 VanDerWaalsContact C-N 3.29Å; N1059-K1063 WeakPolarHBondContact O-CB 3.22Å; N1059-K1063 PolarHBondContact O-N 3.37Å
1060	D	79.9	Confident	65.2	Low	86 Å²	86	116.6 Å²	116.6	46%	0.46	60%	0.602	S	S	.	*	H	α-helix	trans	-67.8	-36.1	174.4	-63.4	-34.9	0	0	0	110.3	L1056 S1057 K1063 L1064	L1056-D1060 HydrophobicContact CD2-CB 3.93Å; S1057-D1060 WeakPolarHBondContact CB-OD2 3.38Å; S1057-D1060 WeakPolarHBondContact O-CA 3.38Å; S1057-D1060 WeakPolarHBondContact O-CB 3.32Å; S1057-D1060 PolarHBondContact O-N 3.39Å; D1060-K1063 PolarHBondContact O-N 2.95Å; D1060-L1064 WeakPolarHBondContact O-CB 3.27Å; D1060-L1064 PolarHBondContact O-N 3.29Å
1061	L	71.8	Confident	67.5	Low	100 Å²	100	117 Å²	117	52%	0.524	59%	0.594	S	S	.	*	H	α-helix	trans	-65.2	-46.5	176.3	-125.2	163.4	0	0	0	111.8	S1057 P1058 N1059 L1064 E1065	S1057-L1061 PolarHBondContact O-N 3.13Å; P1058-L1061 WeakPolarHBondContact O-CB 3.36Å; P1058-L1061 PolarHBondContact O-N 3.04Å; N1059-L1061 VanDerWaalsContact C-N 3.29Å; L1061-L1064 PolarHBondContact O-N 2.88Å; L1061-E1065 PolarHBondContact O-N 3.41Å
1062	L	80.7	Confident	69.7	Low	96 Å²	96	116.1 Å²	116.1	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-61	-43.7	174	-82.8	167.7	0	0	0	112	P1058 L1064 E1065 E1066	P1058-L1062 PolarHBondContact O-N 3.38Å; L1062-L1064 VanDerWaalsContact C-N 3.31Å; L1062-L1064 PolarHBondContact O-N 2.9Å; L1062-E1065 WeakPolarHBondContact O-CB 3.46Å; L1062-E1065 PolarHBondContact O-N 2.88Å; L1062-E1066 WeakPolarHBondContact O-CG 2.95Å; L1062-E1066 PolarHBondContact O-N 3.2Å
1063	K	82.8	Confident	72	Confident	128 Å²	128	112.2 Å²	112.2	56%	0.557	57%	0.568	S	S	*	*	H	α-helix	trans	-65.1	-37.5	178.4	-166.3	175.9	-179.1	-178.1	0	111.9	N1059 D1060 E1066 E1067	N1059-K1063 WeakPolarHBondContact O-CB 3.22Å; N1059-K1063 PolarHBondContact O-N 3.37Å; D1060-K1063 PolarHBondContact O-N 2.95Å; K1063-E1066 PolarHBondContact O-N 2.91Å; K1063-E1067 WeakPolarHBondContact O-CB 3.31Å; K1063-E1067 WeakPolarHBondContact O-CG 3.42Å; K1063-E1067 PolarHBondContact O-N 3Å
1064	L	80.6	Confident	74.2	Confident	79 Å²	79	111.2 Å²	111.2	41%	0.414	55%	0.554	S	S	.	*	H	α-helix	trans	-69.3	-36.3	176.7	-155.8	146.3	0	0	0	111.1	D1060 L1061 L1062 E1067 H1068	D1060-L1064 WeakPolarHBondContact O-CB 3.27Å; D1060-L1064 PolarHBondContact O-N 3.29Å; L1061-L1064 PolarHBondContact O-N 2.88Å; L1062-L1064 VanDerWaalsContact C-N 3.31Å; L1062-L1064 PolarHBondContact O-N 2.9Å; L1064-E1067 PolarHBondContact O-N 2.69Å; L1064-H1068 WeakPolarHBondContact O-CB 3.49Å; L1064-H1068 PolarHBondContact O-CD2 3.27Å; L1064-H1068 VanDerWaalsContact O-CD2 3.24Å; L1064-H1068 PolarHBondContact O-N 3.16Å
1065	E	82.5	Confident	76	Confident	129 Å²	129	108.6 Å²	108.6	60%	0.603	53%	0.532	S	S	*	.	H	α-helix	trans	-63.9	-46.1	171.8	-170.1	178.3	178.7	0	0	111.9	L1061 L1062 E1067 H1068 K1069	L1061-E1065 PolarHBondContact O-N 3.41Å; L1062-E1065 WeakPolarHBondContact O-CB 3.46Å; L1062-E1065 PolarHBondContact O-N 2.88Å; E1065-E1067 VanDerWaalsContact C-N 3.35Å; E1065-E1067 PolarHBondContact O-N 2.76Å; E1065-H1068 PolarHBondContact O-N 2.9Å; E1065-K1069 WeakPolarHBondContact O-CB 3.28Å; E1065-K1069 PolarHBondContact O-N 3.36Å
1066	E	85.4	Confident	77.6	Confident	125 Å²	125	105.7 Å²	105.7	58%	0.584	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-40.3	175.2	-73.6	-177.7	176.8	0	0	112.3	L1062 K1063 K1069 R1070	L1062-E1066 WeakPolarHBondContact O-CG 2.95Å; L1062-E1066 PolarHBondContact O-N 3.2Å; K1063-E1066 PolarHBondContact O-N 2.91Å; E1066-K1069 PolarHBondContact O-N 2.84Å; E1066-R1070 WeakPolarHBondContact O-CG 3.21Å; E1066-R1070 PolarHBondContact O-N 2.96Å
1067	E	84.5	Confident	79.3	Confident	100 Å²	100	103.5 Å²	103.5	47%	0.467	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-40.2	174.7	-80	-174.2	-172	0	0	112.3	K1063 L1064 E1065 R1070 K1071	K1063-E1067 WeakPolarHBondContact O-CB 3.31Å; K1063-E1067 WeakPolarHBondContact O-CG 3.42Å; K1063-E1067 PolarHBondContact O-N 3Å; L1064-E1067 PolarHBondContact O-N 2.69Å; E1065-E1067 VanDerWaalsContact C-N 3.35Å; E1065-E1067 PolarHBondContact O-N 2.76Å; E1067-R1070 PolarHBondContact O-N 3.23Å; E1067-K1071 WeakPolarHBondContact O-CB 3.48Å; E1067-K1071 WeakPolarHBondContact O-CG 3.46Å; E1067-K1071 PolarHBondContact O-N 3.01Å
1068	H	81.3	Confident	79.8	Confident	116 Å²	116	106.6 Å²	106.6	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-43.6	174.2	-94.7	-101.2	0	0	0	111.5	L1064 E1065 K1071 Y1072	L1064-H1068 WeakPolarHBondContact O-CB 3.49Å; L1064-H1068 PolarHBondContact O-CD2 3.27Å; L1064-H1068 VanDerWaalsContact O-CD2 3.24Å; L1064-H1068 PolarHBondContact O-N 3.16Å; E1065-H1068 PolarHBondContact O-N 2.9Å; H1068-K1071 PolarHBondContact O-N 2.93Å; H1068-Y1072 PolarHBondContact O-N 2.7Å
1069	K	85.6	Confident	80.2	Confident	134 Å²	134	107.4 Å²	107.4	58%	0.583	50%	0.498	S	S	*	.	H	α-helix	trans	-62.6	-45.8	176.7	-170.2	178	177.2	-176.7	0	111.7	E1065 E1066 K1071 Y1072 E1073	E1065-K1069 WeakPolarHBondContact O-CB 3.28Å; E1065-K1069 PolarHBondContact O-N 3.36Å; E1066-K1069 PolarHBondContact O-N 2.84Å; K1069-K1071 PolarHBondContact O-N 2.74Å; K1069-Y1072 WeakPolarHBondContact O-CB 3.22Å; K1069-Y1072 PolarHBondContact O-N 3Å; K1069-E1073 WeakPolarHBondContact CE-OE1 3.45Å; K1069-E1073 PolarHBondContact O-N 2.68Å
1070	R	85.1	Confident	80.4	Confident	175 Å²	175	111 Å²	111	66%	0.66	50%	0.503	S	S	*	.	H	α-helix	trans	-62.5	-39.7	175.2	-78.3	-170.8	-178.8	-170.7	3	113	E1066 E1067 Y1072 E1073 N1074	E1066-R1070 WeakPolarHBondContact O-CG 3.21Å; E1066-R1070 PolarHBondContact O-N 2.96Å; E1067-R1070 PolarHBondContact O-N 3.23Å; R1070-Y1072 VanDerWaalsContact C-N 3.32Å; R1070-E1073 PolarHBondContact O-N 2.76Å; R1070-N1074 WeakPolarHBondContact O-CB 3.22Å; R1070-N1074 VanDerWaalsContact O-CG 3.31Å; R1070-N1074 PolarHBondContact O-N 2.76Å; R1070-N1074 PolarHBondContact O-ND2 3.44Å
1071	K	81.9	Confident	80.1	Confident	127 Å²	127	114.5 Å²	114.5	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-61.8	-42.5	174.6	-81	176.4	-178	167.8	0	111.1	E1067 H1068 K1069 N1074 I1075	E1067-K1071 WeakPolarHBondContact O-CB 3.48Å; E1067-K1071 WeakPolarHBondContact O-CG 3.46Å; E1067-K1071 PolarHBondContact O-N 3.01Å; H1068-K1071 PolarHBondContact O-N 2.93Å; K1069-K1071 PolarHBondContact O-N 2.74Å; K1071-N1074 PolarHBondContact O-N 3.25Å; K1071-I1075 VanDerWaalsContact O-CD1 3.32Å; K1071-I1075 WeakPolarHBondContact O-CD1 3.28Å; K1071-I1075 VanDerWaalsContact O-CG1 3.25Å; K1071-I1075 WeakPolarHBondContact O-CG1 3.49Å; K1071-I1075 PolarHBondContact O-N 3.03Å
1072	Y	79.8	Confident	79.6	Confident	154 Å²	154	112.8 Å²	112.8	60%	0.604	52%	0.522	S	S	*	.	H	α-helix	trans	-65.3	-44.9	178.4	-170.2	-101.3	0	0	0	112.3	H1068 K1069 R1070 N1074 I1075 L1076	H1068-Y1072 PolarHBondContact O-N 2.7Å; K1069-Y1072 WeakPolarHBondContact O-CB 3.22Å; K1069-Y1072 PolarHBondContact O-N 3Å; R1070-Y1072 VanDerWaalsContact C-N 3.32Å; Y1072-N1074 PolarHBondContact O-N 3.48Å; Y1072-I1075 PolarHBondContact O-N 3.24Å; Y1072-L1076 HydrophobicContact CD1-CD1 3.72Å; Y1072-L1076 HydrophobicContact CD1-CG 4.4Å; Y1072-L1076 HydrophobicContact CE1-CD1 3.42Å; Y1072-L1076 VanDerWaalsContact CE1-CD1 3.42Å; Y1072-L1076 HydrophobicContact CE1-CG 4.13Å; Y1072-L1076 PolarHBondContact O-N 3.45Å
1073	E	82.5	Confident	78.7	Confident	91 Å²	91	112.5 Å²	112.5	43%	0.425	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-44.3	175.1	-74.3	174.2	178.6	0	0	111.8	K1069 R1070 I1075 L1076 D1077	K1069-E1073 WeakPolarHBondContact CE-OE1 3.45Å; K1069-E1073 PolarHBondContact O-N 2.68Å; R1070-E1073 PolarHBondContact O-N 2.76Å; E1073-I1075 VanDerWaalsContact C-N 3.31Å; E1073-I1075 PolarHBondContact O-N 3.49Å; E1073-L1076 WeakPolarHBondContact O-CB 3.11Å; E1073-L1076 PolarHBondContact O-N 3.33Å; E1073-L1076 VanDerWaalsContact O-N 3.17Å; E1073-D1077 PolarHBondContact O-N 3.42Å
1074	N	81.3	Confident	78.4	Confident	101 Å²	101	113.8 Å²	113.8	54%	0.54	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-36.7	175.1	-77.4	-26	0	0	0	112.9	R1070 K1071 Y1072 R1078	R1070-N1074 WeakPolarHBondContact O-CB 3.22Å; R1070-N1074 VanDerWaalsContact O-CG 3.31Å; R1070-N1074 PolarHBondContact O-N 2.76Å; R1070-N1074 PolarHBondContact O-ND2 3.44Å; K1071-N1074 PolarHBondContact O-N 3.25Å; Y1072-N1074 PolarHBondContact O-N 3.48Å; N1074-R1078 VanDerWaalsContact O-CG 3.28Å; N1074-R1078 WeakPolarHBondContact O-CG 3.45Å; N1074-R1078 PolarHBondContact O-N 2.88Å
1075	I	78.1	Confident	77.9	Confident	36 Å²	36	112.1 Å²	112.1	19%	0.185	52%	0.523	C	S	.	.	H	α-helix	trans	-67.6	-41.6	176	-68.9	157.1	0	0	0	110.5	K1071 Y1072 E1073 R1078 K1079	K1071-I1075 VanDerWaalsContact O-CD1 3.32Å; K1071-I1075 WeakPolarHBondContact O-CD1 3.28Å; K1071-I1075 VanDerWaalsContact O-CG1 3.25Å; K1071-I1075 WeakPolarHBondContact O-CG1 3.49Å; K1071-I1075 PolarHBondContact O-N 3.03Å; Y1072-I1075 PolarHBondContact O-N 3.24Å; E1073-I1075 VanDerWaalsContact C-N 3.31Å; E1073-I1075 PolarHBondContact O-N 3.49Å; I1075-R1078 PolarHBondContact O-N 3.45Å; I1075-K1079 HydrophobicContact CG2-CD 4.43Å; I1075-K1079 WeakPolarHBondContact O-CG 3.27Å; I1075-K1079 PolarHBondContact O-N 2.88Å
1076	L	77.8	Confident	77.5	Confident	68 Å²	68	111.9 Å²	111.9	36%	0.356	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-41.6	175.7	-76.3	170.2	0	0	0	111.8	Y1072 E1073 K1079 R1080	Y1072-L1076 HydrophobicContact CD1-CD1 3.72Å; Y1072-L1076 HydrophobicContact CD1-CG 4.4Å; Y1072-L1076 HydrophobicContact CE1-CD1 3.42Å; Y1072-L1076 VanDerWaalsContact CE1-CD1 3.42Å; Y1072-L1076 HydrophobicContact CE1-CG 4.13Å; Y1072-L1076 PolarHBondContact O-N 3.45Å; E1073-L1076 WeakPolarHBondContact O-CB 3.11Å; E1073-L1076 PolarHBondContact O-N 3.33Å; E1073-L1076 VanDerWaalsContact O-N 3.17Å; L1076-K1079 PolarHBondContact O-N 3.45Å; L1076-R1080 WeakPolarHBondContact O-CG 3.36Å; L1076-R1080 PolarHBondContact O-N 2.78Å
1077	D	79.8	Confident	77.1	Confident	63 Å²	63	109.8 Å²	109.8	34%	0.337	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-39.2	177.2	-75	-13.8	0	0	0	112.3	E1073 R1080 Q1081	E1073-D1077 PolarHBondContact O-N 3.42Å; D1077-R1080 WeakPolarHBondContact O-CB 3.42Å; D1077-R1080 PolarHBondContact O-N 3.44Å; D1077-R1080 IonicContact OD1-CZ 3.81Å; D1077-R1080 IonicContact OD1-NE 2.69Å; D1077-R1080 PolarHBondContact OD1-NE 2.94Å; D1077-R1080 IonicContact OD1-NH2 3.72Å; D1077-R1080 PolarHBondContact OD1-NH2 3.18Å; D1077-Q1081 WeakPolarHBondContact O-CG 3.32Å; D1077-Q1081 PolarHBondContact O-N 3.11Å
1078	R	76.4	Confident	76.6	Confident	117 Å²	117	111 Å²	111	44%	0.442	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-39.6	173.5	-70.1	179.4	74	153.4	7.4	112.3	N1074 I1075 R1080 Q1081 G1082 E1083 V1085	N1074-R1078 VanDerWaalsContact O-CG 3.28Å; N1074-R1078 WeakPolarHBondContact O-CG 3.45Å; N1074-R1078 PolarHBondContact O-N 2.88Å; I1075-R1078 PolarHBondContact O-N 3.45Å; R1078-R1080 VanDerWaalsContact C-N 3.32Å; R1078-R1080 PolarHBondContact O-N 3.33Å; R1078-Q1081 PolarHBondContact O-N 2.86Å; R1078-G1082 PolarHBondContact O-N 3.24Å; R1078-E1083 HydrophobicContact CB-CB 4.35Å; R1078-E1083 IonicContact CZ-OE1 3.51Å; R1078-E1083 IonicContact CZ-OE2 2.93Å; R1078-E1083 IonicContact NE-OE2 3.65Å; R1078-E1083 PolarHBondContact NE-OE2 3.47Å; R1078-E1083 IonicContact NH2-OE1 3.39Å; R1078-E1083 PolarHBondContact NH2-OE1 2.92Å; R1078-E1083 IonicContact NH2-OE2 2.82Å; R1078-E1083 PolarHBondContact NH2-OE2 2.73Å; R1078-E1083 PolarHBondContact O-N 2.93Å; R1078-V1085 HydrophobicContact CB-CG2 4.21Å
1079	K	76.8	Confident	76.6	Confident	113 Å²	113	109.8 Å²	109.8	49%	0.491	52%	0.524	S	S	.	.	H	α-helix	trans	-62.4	-39.1	172	-75.7	-178.1	179.1	-178	0	111.5	I1075 L1076 Q1081 G1082	I1075-K1079 HydrophobicContact CG2-CD 4.43Å; I1075-K1079 WeakPolarHBondContact O-CG 3.27Å; I1075-K1079 PolarHBondContact O-N 2.88Å; L1076-K1079 PolarHBondContact O-N 3.45Å; K1079-Q1081 VanDerWaalsContact C-N 3.31Å; K1079-Q1081 PolarHBondContact O-N 3.12Å; K1079-G1082 PolarHBondContact O-N 3.41Å
1080	R	74.4	Confident	76.4	Confident	194 Å²	194	107.3 Å²	107.3	73%	0.732	52%	0.517	S	S	*	.	H	α-helix	trans	-64.8	-31.8	173.7	-76	-167.7	-85.2	-149.7	-1.1	113.1	L1076 D1077 R1078 G1082	L1076-R1080 WeakPolarHBondContact O-CG 3.36Å; L1076-R1080 PolarHBondContact O-N 2.78Å; D1077-R1080 WeakPolarHBondContact O-CB 3.42Å; D1077-R1080 PolarHBondContact O-N 3.44Å; D1077-R1080 IonicContact OD1-CZ 3.81Å; D1077-R1080 IonicContact OD1-NE 2.69Å; D1077-R1080 PolarHBondContact OD1-NE 2.94Å; D1077-R1080 IonicContact OD1-NH2 3.72Å; D1077-R1080 PolarHBondContact OD1-NH2 3.18Å; R1078-R1080 VanDerWaalsContact C-N 3.32Å; R1078-R1080 PolarHBondContact O-N 3.33Å; R1080-G1082 PolarHBondContact O-N 2.82Å
1081	Q	73.3	Confident	76.2	Confident	158 Å²	158	103.8 Å²	103.8	74%	0.738	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.7	172.6	-68.9	176.4	8.1	0	0	113.5	D1077 R1078 K1079	D1077-Q1081 WeakPolarHBondContact O-CG 3.32Å; D1077-Q1081 PolarHBondContact O-N 3.11Å; R1078-Q1081 PolarHBondContact O-N 2.86Å; K1079-Q1081 VanDerWaalsContact C-N 3.31Å; K1079-Q1081 PolarHBondContact O-N 3.12Å
1082	G	62.1	Low	76.1	Confident	64 Å²	64	103.6 Å²	103.6	66%	0.66	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	9.7	-180	0	0	0	0	0	114.8	R1078 K1079 R1080	R1078-G1082 PolarHBondContact O-N 3.24Å; K1079-G1082 PolarHBondContact O-N 3.41Å; R1080-G1082 PolarHBondContact O-N 2.82Å
1083	E	61.6	Low	76.2	Confident	91 Å²	91	99.8 Å²	99.8	43%	0.425	50%	0.497	S	S	.	.			trans	-78.7	124.4	171.6	-97	-170.3	137.5	0	0	111.2	R1078 V1085	R1078-E1083 HydrophobicContact CB-CB 4.35Å; R1078-E1083 IonicContact CZ-OE1 3.51Å; R1078-E1083 IonicContact CZ-OE2 2.93Å; R1078-E1083 IonicContact NE-OE2 3.65Å; R1078-E1083 PolarHBondContact NE-OE2 3.47Å; R1078-E1083 IonicContact NH2-OE1 3.39Å; R1078-E1083 PolarHBondContact NH2-OE1 2.92Å; R1078-E1083 IonicContact NH2-OE2 2.82Å; R1078-E1083 PolarHBondContact NH2-OE2 2.73Å; R1078-E1083 PolarHBondContact O-N 2.93Å; E1083-V1085 PolarHBondContact O-N 3.41Å
1084	I	75.3	Confident	76.5	Confident	155 Å²	155	102 Å²	102	80%	0.795	50%	0.501	S	S	*	.			trans	-80.9	97.9	176	-60	171.6	0	0	0	108.9	I1086	I1084-I1086 HydrophobicContact CG2-CD1 4.19Å; I1084-I1086 HydrophobicContact CG2-CG1 3.87Å
1085	V	70.2	Confident	76.6	Confident	44 Å²	44	98.2 Å²	98.2	27%	0.267	48%	0.482	S	S	.	.			trans	-94.9	102.3	173.4	-175.3	0	0	0	0	109	R1078 E1083	R1078-V1085 HydrophobicContact CB-CG2 4.21Å; E1083-V1085 PolarHBondContact O-N 3.41Å
1086	I	74.3	Confident	76.8	Confident	124 Å²	124	105.5 Å²	105.5	64%	0.636	51%	0.507	S	S	*	.			trans	-93.8	114.1	172.3	-56.6	173.4	0	0	0	107.9	I1084 F1091	I1084-I1086 HydrophobicContact CG2-CD1 4.19Å; I1084-I1086 HydrophobicContact CG2-CG1 3.87Å; I1086-F1091 HydrophobicContact CG2-CB 4.4Å
1087	Q	76.9	Confident	77.3	Confident	80 Å²	80	108.1 Å²	108.1	37%	0.374	53%	0.526	S	S	.	.			trans	-77.4	142	170.6	-61.7	-168.2	-7.5	0	0	110	V1089 D1090 F1091	Q1087-V1089 PolarHBondContact O-N 3.39Å; Q1087-D1090 PolarHBondContact O-N 3.08Å; Q1087-F1091 PolarHBondContact O-N 3.06Å; Q1087-F1091 VanDerWaalsContact O-N 3.1Å
1088	L	74.8	Confident	77.7	Confident	127 Å²	127	106.8 Å²	106.8	67%	0.665	52%	0.519	S	S	*	.	H	α-helix	trans	-57.1	-32.8	175.8	-88.4	160	0	0	0	112.2	F1091 F1092	L1088-F1091 WeakPolarHBondContact O-CB 3.45Å; L1088-F1091 PolarHBondContact O-N 3.49Å; L1088-F1092 HydrophobicContact CB-CE2 4.49Å; L1088-F1092 HydrophobicContact CD2-CE2 4.39Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.35Å; L1088-F1092 PolarHBondContact O-N 2.84Å
1089	V	81.6	Confident	78.4	Confident	89 Å²	89	106 Å²	106	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-49.4	177.1	-178.3	0	0	0	0	111	Q1087 F1091 F1092 D1093	Q1087-V1089 PolarHBondContact O-N 3.39Å; V1089-F1091 PolarHBondContact O-N 3.02Å; V1089-F1092 PolarHBondContact O-N 3.25Å; V1089-D1093 PolarHBondContact O-N 3.17Å
1090	D	79.8	Confident	78.9	Confident	82 Å²	82	105 Å²	105	44%	0.439	53%	0.53	S	S	.	.	H	α-helix	trans	-58.6	-36.5	176	-60.8	-22.5	0	0	0	111.6	Q1087 W1094	Q1087-D1090 PolarHBondContact O-N 3.08Å; D1090-W1094 WeakPolarHBondContact O-CB 3.31Å; D1090-W1094 PolarHBondContact O-N 3.4Å
1091	F	80.9	Confident	79.7	Confident	101 Å²	101	100 Å²	100	44%	0.443	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-43.4	175.1	-179.9	-101.3	0	0	0	112	I1086 Q1087 L1088 V1089 W1094 C1095	I1086-F1091 HydrophobicContact CG2-CB 4.4Å; Q1087-F1091 PolarHBondContact O-N 3.06Å; Q1087-F1091 VanDerWaalsContact O-N 3.1Å; L1088-F1091 WeakPolarHBondContact O-CB 3.45Å; L1088-F1091 PolarHBondContact O-N 3.49Å; V1089-F1091 PolarHBondContact O-N 3.02Å; F1091-W1094 PolarHBondContact O-N 2.69Å; F1091-C1095 WeakPolarHBondContact O-CB 3.41Å; F1091-C1095 PolarHBondContact O-N 2.94Å; F1091-C1095 PolarHBondContact O-SG 3.4Å
1092	F	81.4	Confident	80.6	Confident	124 Å²	124	96.3 Å²	96.3	54%	0.544	50%	0.502	S	S	.	.	H	α-helix	trans	-65.5	-40.7	176.3	-75.7	-61.8	0	0	0	112.5	L1088 V1089 C1095 R1096	L1088-F1092 HydrophobicContact CB-CE2 4.49Å; L1088-F1092 HydrophobicContact CD2-CE2 4.39Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.35Å; L1088-F1092 PolarHBondContact O-N 2.84Å; V1089-F1092 PolarHBondContact O-N 3.25Å; F1092-C1095 WeakPolarHBondContact O-CB 3.44Å; F1092-C1095 PolarHBondContact O-N 3.26Å; F1092-R1096 WeakPolarHBondContact O-CG 3.43Å; F1092-R1096 PolarHBondContact O-N 3.49Å
1093	D	82.2	Confident	82	Confident	74 Å²	74	96.4 Å²	96.4	40%	0.396	49%	0.489	S	S	.	.	H	α-helix	trans	-68.8	-38.4	176.8	-73.4	-23.3	0	0	0	111.4	V1089 C1095 R1096 V1097	V1089-D1093 PolarHBondContact O-N 3.17Å; D1093-C1095 PolarHBondContact O-N 3.15Å; D1093-R1096 WeakPolarHBondContact O-CB 3.32Å; D1093-R1096 PolarHBondContact O-N 3.35Å; D1093-R1096 IonicContact OD1-NH1 2.7Å; D1093-V1097 WeakPolarHBondContact O-CG2 3.22Å; D1093-V1097 PolarHBondContact O-N 2.64Å
1094	W	87.7	Confident	83.6	Confident	137 Å²	137	98.3 Å²	98.3	52%	0.519	50%	0.497	S	S	.	.	H	α-helix	trans	-61.2	-42.4	170.7	-176	90.8	0	0	0	112.1	D1090 F1091 R1096 V1097 N1098	D1090-W1094 WeakPolarHBondContact O-CB 3.31Å; D1090-W1094 PolarHBondContact O-N 3.4Å; F1091-W1094 PolarHBondContact O-N 2.69Å; W1094-R1096 VanDerWaalsContact C-N 3.31Å; W1094-R1096 PolarHBondContact O-N 2.97Å; W1094-V1097 PolarHBondContact O-N 3.44Å; W1094-N1098 VanDerWaalsContact CD1-ND2 3.34Å; W1094-N1098 VanDerWaalsContact CE2-ND2 3.28Å; W1094-N1098 HydrophobicContact CH2-CB 4.5Å; W1094-N1098 HydrophobicContact CZ2-CB 4.36Å; W1094-N1098 PolarHBondContact NE1-ND2 2.79Å; W1094-N1098 VanDerWaalsContact NE1-ND2 3.12Å; W1094-N1098 WeakPolarHBondContact O-CB 3.46Å; W1094-N1098 PolarHBondContact O-N 3.43Å; W1094-N1098 PolarHBondContact O-ND2 3.06Å; W1094-N1098 VanDerWaalsContact O-ND2 3.07Å
1095	C	84.1	Confident	84.5	Confident	21 Å²	21	95.3 Å²	95.3	14%	0.142	48%	0.481	C	S	.	.	H	α-helix	trans	-63.2	-35.4	174.3	-75.7	0	0	0	0	112.5	F1091 F1092 D1093 N1098 L1099	F1091-C1095 WeakPolarHBondContact O-CB 3.41Å; F1091-C1095 PolarHBondContact O-N 2.94Å; F1091-C1095 PolarHBondContact O-SG 3.4Å; F1092-C1095 WeakPolarHBondContact O-CB 3.44Å; F1092-C1095 PolarHBondContact O-N 3.26Å; D1093-C1095 PolarHBondContact O-N 3.15Å; C1095-N1098 CarbonylContact O-C 3.58Å; C1095-L1099 VanDerWaalsContact O-CA 3.31Å; C1095-L1099 WeakPolarHBondContact O-CA 3.15Å; C1095-L1099 PolarHBondContact O-N 3.41Å
1096	R	80.8	Confident	85.6	Confident	190 Å²	190	98.3 Å²	98.3	72%	0.717	50%	0.495	S	S	*	.	H	α-helix	trans	-67.6	-46.6	175.7	-79.2	178.1	169.6	154.9	-4	111.9	F1092 D1093 W1094 N1098	F1092-R1096 WeakPolarHBondContact O-CG 3.43Å; F1092-R1096 PolarHBondContact O-N 3.49Å; D1093-R1096 WeakPolarHBondContact O-CB 3.32Å; D1093-R1096 PolarHBondContact O-N 3.35Å; D1093-R1096 IonicContact OD1-NH1 2.7Å; W1094-R1096 VanDerWaalsContact C-N 3.31Å; W1094-R1096 PolarHBondContact O-N 2.97Å; R1096-N1098 VanDerWaalsContact C-N 3.32Å; R1096-N1098 PolarHBondContact O-N 3.06Å
1097	V	88.6	Confident	86.6	Confident	122 Å²	122	96.9 Å²	96.9	74%	0.739	49%	0.488	S	S	*	.	H	α-helix	trans	-65.5	-38.6	178.5	174.8	0	0	0	0	111	D1093 W1094	D1093-V1097 WeakPolarHBondContact O-CG2 3.22Å; D1093-V1097 PolarHBondContact O-N 2.64Å; W1094-V1097 PolarHBondContact O-N 3.44Å
1098	N	89.6	Confident	87.5	Confident	35 Å²	35	96.4 Å²	96.4	19%	0.187	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	24.1	-175.7	-62.1	-64.4	0	0	0	114	W1094 C1095 R1096 S1100 I1101 L1102	W1094-N1098 VanDerWaalsContact CD1-ND2 3.34Å; W1094-N1098 VanDerWaalsContact CE2-ND2 3.28Å; W1094-N1098 HydrophobicContact CH2-CB 4.5Å; W1094-N1098 HydrophobicContact CZ2-CB 4.36Å; W1094-N1098 PolarHBondContact NE1-ND2 2.79Å; W1094-N1098 VanDerWaalsContact NE1-ND2 3.12Å; W1094-N1098 WeakPolarHBondContact O-CB 3.46Å; W1094-N1098 PolarHBondContact O-N 3.43Å; W1094-N1098 PolarHBondContact O-ND2 3.06Å; W1094-N1098 VanDerWaalsContact O-ND2 3.07Å; C1095-N1098 CarbonylContact O-C 3.58Å; R1096-N1098 VanDerWaalsContact C-N 3.32Å; R1096-N1098 PolarHBondContact O-N 3.06Å; N1098-S1100 PolarHBondContact O-N 2.79Å; N1098-S1100 VanDerWaalsContact O-N 3.14Å; N1098-I1101 HydrophobicContact CB-CB 4.43Å; N1098-I1101 HydrophobicContact CB-CD1 4.29Å; N1098-I1101 PolarHBondContact O-N 3.21Å; N1098-L1102 PolarHBondContact O-N 3.2Å
1099	L	89.6	Confident	88.4	Confident	101 Å²	101	93.6 Å²	93.6	53%	0.529	48%	0.478	S	S	.	.	H	α-helix	trans	-55.1	-37.6	-177.3	-173.4	65	0	0	0	112	C1095 L1102 T1103	C1095-L1099 VanDerWaalsContact O-CA 3.31Å; C1095-L1099 WeakPolarHBondContact O-CA 3.15Å; C1095-L1099 PolarHBondContact O-N 3.41Å; L1099-L1102 PolarHBondContact O-N 3.15Å; L1099-T1103 VanDerWaalsContact O-CG2 3.31Å; L1099-T1103 WeakPolarHBondContact O-CG2 3.4Å; L1099-T1103 PolarHBondContact O-N 3.3Å; L1099-T1103 PolarHBondContact O-OG1 2.99Å
1100	S	87.8	Confident	89	Confident	92 Å²	92	93.1 Å²	93.1	64%	0.643	47%	0.472	S	S	*	.	H	α-helix	trans	-60.7	-45.7	175.8	-179.5	0	0	0	0	112.6	N1098 L1102 T1103 F1104	N1098-S1100 PolarHBondContact O-N 2.79Å; N1098-S1100 VanDerWaalsContact O-N 3.14Å; S1100-L1102 VanDerWaalsContact C-N 3.35Å; S1100-L1102 PolarHBondContact O-N 2.74Å; S1100-T1103 WeakPolarHBondContact CA-OG1 3.45Å; S1100-T1103 PolarHBondContact O-N 3.34Å; S1100-T1103 PolarHBondContact O-OG1 3.28Å; S1100-F1104 PolarHBondContact O-N 3.35Å
1101	I	91.8	Very high	89.7	Confident	90 Å²	90	93.1 Å²	93.1	46%	0.462	47%	0.471	S	S	.	.	H	α-helix	trans	-64.8	-42.8	177.5	-59.2	175.4	0	0	0	110	N1098 T1103 F1104 I1105	N1098-I1101 HydrophobicContact CB-CB 4.43Å; N1098-I1101 HydrophobicContact CB-CD1 4.29Å; N1098-I1101 PolarHBondContact O-N 3.21Å; I1101-T1103 VanDerWaalsContact C-N 3.34Å; I1101-T1103 PolarHBondContact O-N 3.39Å; I1101-F1104 PolarHBondContact O-N 3.45Å; I1101-I1105 HydrophobicContact CG2-CD1 3.9Å; I1101-I1105 HydrophobicContact CG2-CG1 4.45Å; I1101-I1105 WeakPolarHBondContact O-CG1 3.27Å; I1101-I1105 PolarHBondContact O-N 2.81Å
1102	L	92	Very high	90.3	Very high	79 Å²	79	91 Å²	91	41%	0.414	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-43.4	177.1	-160.9	84.1	0	0	0	111.4	N1098 L1099 S1100 F1104 I1105 L1106	N1098-L1102 PolarHBondContact O-N 3.2Å; L1099-L1102 PolarHBondContact O-N 3.15Å; S1100-L1102 VanDerWaalsContact C-N 3.35Å; S1100-L1102 PolarHBondContact O-N 2.74Å; L1102-F1104 VanDerWaalsContact C-N 3.34Å; L1102-F1104 PolarHBondContact O-N 2.93Å; L1102-I1105 PolarHBondContact O-N 2.82Å; L1102-L1106 WeakPolarHBondContact O-CB 3.14Å; L1102-L1106 PolarHBondContact O-N 2.78Å
1103	T	91	Very high	90.9	Very high	66 Å²	66	88.8 Å²	88.8	41%	0.405	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-38	175.9	57.4	0	0	0	0	112.3	L1099 S1100 I1101 L1106 I1107	L1099-T1103 VanDerWaalsContact O-CG2 3.31Å; L1099-T1103 WeakPolarHBondContact O-CG2 3.4Å; L1099-T1103 PolarHBondContact O-N 3.3Å; L1099-T1103 PolarHBondContact O-OG1 2.99Å; S1100-T1103 WeakPolarHBondContact CA-OG1 3.45Å; S1100-T1103 PolarHBondContact O-N 3.34Å; S1100-T1103 PolarHBondContact O-OG1 3.28Å; I1101-T1103 VanDerWaalsContact C-N 3.34Å; I1101-T1103 PolarHBondContact O-N 3.39Å; T1103-L1106 PolarHBondContact O-N 3.49Å; T1103-I1107 WeakPolarHBondContact O-CD1 3.42Å; T1103-I1107 VanDerWaalsContact O-CG1 3.24Å; T1103-I1107 WeakPolarHBondContact O-CG1 3.44Å; T1103-I1107 PolarHBondContact O-N 3.04Å
1104	F	94.5	Very high	91.3	Very high	131 Å²	131	91.1 Å²	91.1	58%	0.575	48%	0.479	S	S	*	.	H	α-helix	trans	-67.4	-42.1	177	-172	-101.3	0	0	0	112	S1100 I1101 L1102 L1106 I1107 N1108	S1100-F1104 PolarHBondContact O-N 3.35Å; I1101-F1104 PolarHBondContact O-N 3.45Å; L1102-F1104 VanDerWaalsContact C-N 3.34Å; L1102-F1104 PolarHBondContact O-N 2.93Å; F1104-L1106 VanDerWaalsContact C-N 3.34Å; F1104-I1107 PolarHBondContact O-N 3.31Å; F1104-N1108 VanDerWaalsContact CD1-ND2 3.26Å; F1104-N1108 WeakPolarHBondContact CD1-ND2 3.47Å; F1104-N1108 WeakPolarHBondContact CE1-ND2 3.37Å; F1104-N1108 WeakPolarHBondContact CZ-ND2 3.32Å; F1104-N1108 PolarHBondContact O-N 2.99Å; F1104-N1108 PolarHBondContact O-ND2 2.7Å
1105	I	94.4	Very high	91.5	Very high	93 Å²	93	91 Å²	91	48%	0.477	48%	0.482	S	S	.	.	H	α-helix	trans	-63	-43.6	173.8	-66.8	168.7	0	0	0	110.1	I1101 L1102 I1107 N1108 C1109	I1101-I1105 HydrophobicContact CG2-CD1 3.9Å; I1101-I1105 HydrophobicContact CG2-CG1 4.45Å; I1101-I1105 WeakPolarHBondContact O-CG1 3.27Å; I1101-I1105 PolarHBondContact O-N 2.81Å; L1102-I1105 PolarHBondContact O-N 2.82Å; I1105-I1107 PolarHBondContact O-N 2.75Å; I1105-N1108 PolarHBondContact O-N 3.32Å; I1105-C1109 WeakPolarHBondContact O-CB 3.38Å; I1105-C1109 PolarHBondContact O-N 3.49Å; I1105-C1109 PolarHBondContact O-SG 3.18Å; I1105-C1109 VanDerWaalsContact O-SG 3.4Å
1106	L	94.4	Very high	91.8	Very high	107 Å²	107	97.4 Å²	97.4	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-59.7	-46.7	177.4	-171.5	82.8	0	0	0	111.6	L1102 T1103 F1104 N1108 C1109 I1110	L1102-L1106 WeakPolarHBondContact O-CB 3.14Å; L1102-L1106 PolarHBondContact O-N 2.78Å; T1103-L1106 PolarHBondContact O-N 3.49Å; F1104-L1106 VanDerWaalsContact C-N 3.34Å; L1106-N1108 VanDerWaalsContact C-N 3.33Å; L1106-N1108 PolarHBondContact O-N 2.97Å; L1106-C1109 PolarHBondContact O-N 3.23Å; L1106-I1110 HydrophobicContact CD2-CD1 4.28Å; L1106-I1110 HydrophobicContact CG-CD1 4Å; L1106-I1110 VanDerWaalsContact O-CG1 3.27Å; L1106-I1110 WeakPolarHBondContact O-CG1 3.3Å; L1106-I1110 PolarHBondContact O-N 2.98Å
1107	I	95.6	Very high	92.2	Very high	93 Å²	93	93.4 Å²	93.4	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-59.6	-45.1	176.8	-71.1	163.1	0	0	0	110.5	T1103 F1104 I1105 C1109 I1110 L1111	T1103-I1107 WeakPolarHBondContact O-CD1 3.42Å; T1103-I1107 VanDerWaalsContact O-CG1 3.24Å; T1103-I1107 WeakPolarHBondContact O-CG1 3.44Å; T1103-I1107 PolarHBondContact O-N 3.04Å; F1104-I1107 PolarHBondContact O-N 3.31Å; I1105-I1107 PolarHBondContact O-N 2.75Å; I1107-C1109 PolarHBondContact O-N 3.4Å; I1107-I1110 PolarHBondContact O-N 2.84Å; I1107-L1111 HydrophobicContact CG2-CD1 4.08Å; I1107-L1111 HydrophobicContact CG2-CG 4.48Å; I1107-L1111 WeakPolarHBondContact O-CG 3.45Å; I1107-L1111 PolarHBondContact O-N 3.48Å
1108	N	94.2	Very high	92.1	Very high	71 Å²	71	92.6 Å²	92.6	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-65.6	-37.9	177.5	-74.5	-56	0	0	0	112.6	F1104 I1105 L1106 L1111 A1112	F1104-N1108 VanDerWaalsContact CD1-ND2 3.26Å; F1104-N1108 WeakPolarHBondContact CD1-ND2 3.47Å; F1104-N1108 WeakPolarHBondContact CE1-ND2 3.37Å; F1104-N1108 WeakPolarHBondContact CZ-ND2 3.32Å; F1104-N1108 PolarHBondContact O-N 2.99Å; F1104-N1108 PolarHBondContact O-ND2 2.7Å; I1105-N1108 PolarHBondContact O-N 3.32Å; L1106-N1108 VanDerWaalsContact C-N 3.33Å; L1106-N1108 PolarHBondContact O-N 2.97Å; N1108-L1111 PolarHBondContact O-N 3.12Å; N1108-A1112 WeakPolarHBondContact O-CB 3.32Å; N1108-A1112 PolarHBondContact O-N 3.4Å
1109	C	94.6	Very high	91.9	Very high	67 Å²	67	97.6 Å²	97.6	45%	0.453	51%	0.511	S	S	.	.	H	α-helix	trans	-64	-41.8	173.3	-75.3	0	0	0	0	111.7	I1105 L1106 I1107 A1112 C1113	I1105-C1109 WeakPolarHBondContact O-CB 3.38Å; I1105-C1109 PolarHBondContact O-N 3.49Å; I1105-C1109 PolarHBondContact O-SG 3.18Å; I1105-C1109 VanDerWaalsContact O-SG 3.4Å; L1106-C1109 PolarHBondContact O-N 3.23Å; I1107-C1109 PolarHBondContact O-N 3.4Å; C1109-A1112 PolarHBondContact O-N 3.45Å; C1109-C1113 WeakPolarHBondContact O-CB 3.12Å; C1109-C1113 PolarHBondContact O-N 3.41Å; C1109-C1113 PolarHBondContact O-SG 2.94Å; C1109-C1113 VanDerWaalsContact O-SG 3.33Å
1110	I	95.1	Very high	91.4	Very high	80 Å²	80	102 Å²	102	41%	0.41	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-46.3	175.6	-70.4	165.1	0	0	0	110.1	L1106 I1107 A1112 C1113 F1114	L1106-I1110 HydrophobicContact CD2-CD1 4.28Å; L1106-I1110 HydrophobicContact CG-CD1 4Å; L1106-I1110 VanDerWaalsContact O-CG1 3.27Å; L1106-I1110 WeakPolarHBondContact O-CG1 3.3Å; L1106-I1110 PolarHBondContact O-N 2.98Å; I1107-I1110 PolarHBondContact O-N 2.84Å; I1110-A1112 VanDerWaalsContact C-N 3.35Å; I1110-A1112 PolarHBondContact O-N 2.92Å; I1110-C1113 PolarHBondContact O-N 3.02Å; I1110-F1114 HydrophobicContact CG2-CD2 3.59Å; I1110-F1114 HydrophobicContact CG2-CE2 3.46Å; I1110-F1114 VanDerWaalsContact CG2-CE2 3.46Å; I1110-F1114 WeakPolarHBondContact O-CD2 3.35Å; I1110-F1114 PolarHBondContact O-N 3.3Å
1111	L	94.1	Very high	90.7	Very high	81 Å²	81	104 Å²	104	42%	0.424	54%	0.537	S	S	.	.	H	α-helix	trans	-60	-44.1	175.3	-71.6	171.8	0	0	0	111.5	I1107 N1108 C1113 F1114 F1115	I1107-L1111 HydrophobicContact CG2-CD1 4.08Å; I1107-L1111 HydrophobicContact CG2-CG 4.48Å; I1107-L1111 WeakPolarHBondContact O-CG 3.45Å; I1107-L1111 PolarHBondContact O-N 3.48Å; N1108-L1111 PolarHBondContact O-N 3.12Å; L1111-C1113 VanDerWaalsContact C-N 3.34Å; L1111-C1113 PolarHBondContact O-N 3.23Å; L1111-F1114 WeakPolarHBondContact O-CB 3.32Å; L1111-F1114 PolarHBondContact O-N 3.44Å; L1111-F1115 HydrophobicContact CB-CE2 4.39Å; L1111-F1115 WeakPolarHBondContact O-CD2 3.38Å; L1111-F1115 PolarHBondContact O-N 2.92Å
1112	A	93.5	Very high	90.6	Very high	58 Å²	58	104.7 Å²	104.7	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.1	0	0	0	0	0	112.1	N1108 C1109 I1110 F1115 Y1116	N1108-A1112 WeakPolarHBondContact O-CB 3.32Å; N1108-A1112 PolarHBondContact O-N 3.4Å; C1109-A1112 PolarHBondContact O-N 3.45Å; I1110-A1112 VanDerWaalsContact C-N 3.35Å; I1110-A1112 PolarHBondContact O-N 2.92Å; A1112-F1115 PolarHBondContact O-N 3.2Å; A1112-Y1116 WeakPolarHBondContact O-CB 3.44Å; A1112-Y1116 PolarHBondContact O-N 3.12Å
1113	C	92.8	Very high	90.5	Very high	77 Å²	77	106.1 Å²	106.1	52%	0.52	55%	0.547	S	S	.	.	H	α-helix	trans	-64.7	-40.8	173.1	-72.2	0	0	0	0	111.9	C1109 I1110 L1111 Y1116 I1117	C1109-C1113 WeakPolarHBondContact O-CB 3.12Å; C1109-C1113 PolarHBondContact O-N 3.41Å; C1109-C1113 PolarHBondContact O-SG 2.94Å; C1109-C1113 VanDerWaalsContact O-SG 3.33Å; I1110-C1113 PolarHBondContact O-N 3.02Å; L1111-C1113 VanDerWaalsContact C-N 3.34Å; L1111-C1113 PolarHBondContact O-N 3.23Å; C1113-Y1116 PolarHBondContact O-N 2.87Å; C1113-I1117 VanDerWaalsContact O-CG1 3.27Å; C1113-I1117 WeakPolarHBondContact O-CG1 3.44Å; C1113-I1117 PolarHBondContact O-N 3.12Å
1114	F	91.8	Very high	90.5	Very high	123 Å²	123	108.3 Å²	108.3	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-61.2	-46.2	173.6	-87.6	-69	0	0	0	111.5	I1110 L1111 Y1116 I1117 I1118	I1110-F1114 HydrophobicContact CG2-CD2 3.59Å; I1110-F1114 HydrophobicContact CG2-CE2 3.46Å; I1110-F1114 VanDerWaalsContact CG2-CE2 3.46Å; I1110-F1114 WeakPolarHBondContact O-CD2 3.35Å; I1110-F1114 PolarHBondContact O-N 3.3Å; L1111-F1114 WeakPolarHBondContact O-CB 3.32Å; L1111-F1114 PolarHBondContact O-N 3.44Å; F1114-Y1116 VanDerWaalsContact C-N 3.31Å; F1114-Y1116 PolarHBondContact O-N 3.12Å; F1114-I1117 PolarHBondContact O-N 3.48Å; F1114-I1118 WeakPolarHBondContact O-CB 3.43Å; F1114-I1118 VanDerWaalsContact O-CG1 3.23Å; F1114-I1118 WeakPolarHBondContact O-CG1 3.3Å; F1114-I1118 PolarHBondContact O-N 3.27Å
1115	F	90.6	Very high	90.3	Very high	133 Å²	133	106.9 Å²	106.9	58%	0.583	55%	0.554	S	S	*	*	H	α-helix	trans	-61.7	-40	175	-75.1	-63.1	0	0	0	111.8	L1111 A1112 I1118 I1119	L1111-F1115 HydrophobicContact CB-CE2 4.39Å; L1111-F1115 WeakPolarHBondContact O-CD2 3.38Å; L1111-F1115 PolarHBondContact O-N 2.92Å; A1112-F1115 PolarHBondContact O-N 3.2Å; F1115-I1118 PolarHBondContact O-N 3.26Å; F1115-I1119 WeakPolarHBondContact O-CB 3.46Å; F1115-I1119 WeakPolarHBondContact O-CD1 3.29Å; F1115-I1119 WeakPolarHBondContact O-CG1 3.32Å; F1115-I1119 PolarHBondContact O-N 3.35Å
1116	Y	91.3	Very high	90	Very high	157 Å²	157	107.8 Å²	107.8	62%	0.616	56%	0.559	S	S	*	*	H	α-helix	trans	-64.5	-43.1	176.4	-175.2	-97.7	0	0	0	112.3	A1112 C1113 F1114 I1119 Y1120	A1112-Y1116 WeakPolarHBondContact O-CB 3.44Å; A1112-Y1116 PolarHBondContact O-N 3.12Å; C1113-Y1116 PolarHBondContact O-N 2.87Å; F1114-Y1116 VanDerWaalsContact C-N 3.31Å; F1114-Y1116 PolarHBondContact O-N 3.12Å; Y1116-I1119 PolarHBondContact O-N 3.39Å; Y1116-Y1120 WeakPolarHBondContact O-CB 3.38Å; Y1116-Y1120 PolarHBondContact O-N 3.06Å
1117	I	88.4	Confident	89.7	Confident	105 Å²	105	107.9 Å²	107.9	54%	0.538	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-42.3	176.4	-68.2	165.1	0	0	0	110.6	C1113 F1114 I1119 Y1120 S1121	C1113-I1117 VanDerWaalsContact O-CG1 3.27Å; C1113-I1117 WeakPolarHBondContact O-CG1 3.44Å; C1113-I1117 PolarHBondContact O-N 3.12Å; F1114-I1117 PolarHBondContact O-N 3.48Å; I1117-I1119 VanDerWaalsContact C-N 3.31Å; I1117-I1119 PolarHBondContact O-N 3.41Å; I1117-Y1120 PolarHBondContact O-N 3.11Å; I1117-S1121 WeakPolarHBondContact O-CB 3.4Å; I1117-S1121 PolarHBondContact O-N 3.43Å; I1117-S1121 PolarHBondContact O-OG 3.08Å
1118	I	88.1	Confident	89.3	Confident	105 Å²	105	108.9 Å²	108.9	54%	0.538	56%	0.564	S	S	.	*	H	α-helix	trans	-64.7	-35	177.1	-69.2	165.7	0	0	0	111.8	F1114 F1115 Y1120 S1121	F1114-I1118 WeakPolarHBondContact O-CB 3.43Å; F1114-I1118 VanDerWaalsContact O-CG1 3.23Å; F1114-I1118 WeakPolarHBondContact O-CG1 3.3Å; F1114-I1118 PolarHBondContact O-N 3.27Å; F1115-I1118 PolarHBondContact O-N 3.26Å; I1118-Y1120 VanDerWaalsContact C-N 3.34Å; I1118-S1121 PolarHBondContact O-OG 3.16Å; I1118-S1121 VanDerWaalsContact O-OXT 3.13Å
1119	I	84.2	Confident	88.9	Confident	140 Å²	140	111.8 Å²	111.8	72%	0.718	58%	0.579	S	S	*	*	H	α-helix	trans	-73.9	-28.9	176.6	-69.9	165.5	0	0	0	111.2	F1115 Y1116 I1117	F1115-I1119 WeakPolarHBondContact O-CB 3.46Å; F1115-I1119 WeakPolarHBondContact O-CD1 3.29Å; F1115-I1119 WeakPolarHBondContact O-CG1 3.32Å; F1115-I1119 PolarHBondContact O-N 3.35Å; Y1116-I1119 PolarHBondContact O-N 3.39Å; I1117-I1119 VanDerWaalsContact C-N 3.31Å; I1117-I1119 PolarHBondContact O-N 3.41Å
1120	Y	79.1	Confident	88.5	Confident	193 Å²	193	115.6 Å²	115.6	76%	0.757	59%	0.589	S	S	*	*	H	α-helix	trans	-86.7	-29.7	-179.1	-163.1	-90.9	0	0	0	113.5	Y1116 I1117 I1118	Y1116-Y1120 WeakPolarHBondContact O-CB 3.38Å; Y1116-Y1120 PolarHBondContact O-N 3.06Å; I1117-Y1120 PolarHBondContact O-N 3.11Å; I1118-Y1120 VanDerWaalsContact C-N 3.34Å
1121	S	72.6	Confident	87.9	Confident	135 Å²	135	118.8 Å²	118.8	94%	0.944	61%	0.605	S	S	*	*			trans	-74.6	0	170.7	70.2	0	0	0	0	111.3	I1117 I1118	I1117-S1121 WeakPolarHBondContact O-CB 3.4Å; I1117-S1121 PolarHBondContact O-N 3.43Å; I1117-S1121 PolarHBondContact O-OG 3.08Å; I1118-S1121 PolarHBondContact O-OG 3.16Å; I1118-S1121 VanDerWaalsContact O-OXT 3.13Å

Retrieved 1,121 of 1,121 residues in 503.4 ms (Link to these results)

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